# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-03-12T11:04:58+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 4 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
"1000043","5.462","0.03","5.462","0.03","5.462","0.03","90","","90","","90","","163","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Calcium difluoride","Fluorite","- Ca F2 -","- Ca F2 -","- Ca4 F8 -","4","0.0208333","","Cheetham, A K; Fender, B E F; Cooper, M J","Defect structure of calcium fluoride containing excess anions: I. Bragg scattering","Journal of Physics C","1971","4","","3107","3121","10.1088/0022-3719/4/18/016","","","","","","0.008","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1000284","13.207","0.002","5.68","0.002","10.321","0.002","90","","90","","90","","774.2","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dibarium diyttrium copper platinum(IV) oxide","","- Ba2 Cu O8 Pt Y2 -","- Ba2 Cu O8 Pt Y2 -","- Ba8 Cu4 O32 Pt4 Y8 -","4","0.5","","Laligant, Y; Ferey, G; Hervieu, M; Raveau, B","Synthesis and Single-Crystal Refinement of Ba~2~ Y~2~ Cu Pt O~8~","Europhysics Letters","1987","4","","1023","1029","10.1209/0295-5075/4/9/012","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001053","4.74","","4.75","","9.305","","90","","90.95","","90","","209.5","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ditantalum chromium(II) oxide","","- Cr O6 Ta2 -","- Cr O6 Ta2 -","- Cr2 O12 Ta4 -","2","0.5","","Massard, P; Bernier, J C; Michel, A","Effet Jahn-Teller dans le Systeme Ta~2~ Cr O~6~ - Ta Cr O~4~","Journal of Solid State Chemistry","1972","4","","269","274","10.1016/0022-4596(72)90116-8","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001074","6.972","0.005","6.972","0.005","10.144","0.005","90","","90","","120","","427","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Potassium tantalum cyclo-trigermanate","","- Ge3 K O9 Ta -","- Ge3 K O9 Ta -","- Ge6 K2 O18 Ta2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Sur de nouveaux germanates et silicates de type benitoite","Journal of Solid State Chemistry","1972","4","","209","218","10.1016/0022-4596(72)90107-7","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001075","7.041","0.005","7.041","0.005","10.116","0.005","90","","90","","120","","434.3","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Rubidium tantalum cyclo-trigermanate","","- Ge3 O9 Rb Ta -","- Ge3 O9 Rb Ta -","- Ge6 O18 Rb2 Ta2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Sur de nouveaux qermanates et silicates de type benitoite","Journal of Solid State Chemistry","1972","4","","209","218","10.1016/0022-4596(72)90107-7","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001076","7.038","0.005","7.038","0.005","10.132","0.005","90","","90","","120","","434.6","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Rubidium niobium cyclo-trigermanate","","- Ge3 Nb O9 Rb -","- Ge3 Nb O9 Rb -","- Ge6 Nb2 O18 Rb2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Sur de nouveaux germanates et silicates de type benitoite","Journal of Solid State Chemistry","1972","4","","209","218","10.1016/0022-4596(72)90107-7","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001077","7.036","0.005","7.036","0.005","10.124","0.005","90","","90","","120","","434","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Thallium tantalum cyclo-trigermanate","","- Ge3 O9 Ta Tl -","- Ge3 O9 Ta Tl -","- Ge6 O18 Ta2 Tl2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Sur de nouveaux germanates et silicates de type benitoite","Journal of Solid State Chemistry","1972","4","","209","218","10.1016/0022-4596(72)90107-7","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001078","6.894","0.005","6.894","0.005","10.233","0.005","90","","90","","120","","421.2","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Barium tin(IV) cyclo-trigermanate","","- Ba Ge3 O9 Sn -","- Ba Ge3 O9 Sn -","- Ba2 Ge6 O18 Sn2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Sur de nouveaux germanates et silicates de type benitoite","Journal of Solid State Chemistry","1972","4","","209","218","10.1016/0022-4596(72)90107-7","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001597","3.8244","0.0001","3.8244","0.0001","16.51599","0.001","90","","90","","90","","241.6","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium lead strontium copper carbonate oxide (0.5/0.5/4/2/1/7)","","- C Cu2 O10 Pb0.5 Sr4 Tl0.5 -","- C Cu2 O10 Pb0.5 Sr4 Tl0.5 -","- C Cu2 O10 Pb0.5 Sr4 Tl0.5 -","1","0.0625","","Hervieu, M; Michel, C; Huve, M; Martin, C; Maignan, A; Raveau, B","High resolution electron microscopy study of the high T~c~ superconductor Tl~0.5~Pb~0.5~Sr~4~Cu~2~CO~3~O~7~","Microscopy, Microanalysis, Microstructures","1993","4","","41","50","10.1051/mmm:019930040104100","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001669","4.848","0.001","6.892","0.001","8.077","0.002","92.65","0.01","93.26","0.01","106.23","0.01","258.2","","","","","","","","","","","","","4","P -1","-P 1","2","","Mercury divanadium(III) bis(diphosphate)","","- Hg O14 P4 V2 -","- Hg O14 P4 V2 -","- Hg O14 P4 V2 -","1","0.5","","Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B","Two new diphosphates with Sr V2 (P2 O7)2 structure: mercury and lead phases","Journal of Materials Chemistry","1994","4","12","1889","1892","10.1039/jm9940401889","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001670","4.804","0.001","7.113","0.001","7.898","0.002","89.78","0.01","92.62","0.01","106.1","0.02","259","","","","","","","","","","","","","4","P -1","-P 1","2","","Lead divanadium(III) bis(diphosphate)","","- O14 P4 Pb V2 -","- O14 P4 Pb V2 -","- O14 P4 Pb V2 -","1","0.5","","Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B","Two new diphosphates with Sr V2 (P2 O7)2 structure: mercury and lead phases","Journal of Materials Chemistry","1994","4","12","1889","1892","10.1039/jm9940401889","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001671","4.237","0.001","3.7675","0.0006","11.917","0.007","90","","90","","90","","190.2","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Neodymium copper oxide (2/1/3.5)","","- Cu Nd2 O3.5 -","- Cu Nd2 O3.5 -","- Cu2 Nd4 O7 -","2","0.125","","Choisnet, J; Mouron, M; Crespin, M; van Aken, P A; Mueller, W F","Perovskite-like intergrowth structure of the reduced cuprate Nd2 Cu O3.5: a combination of defect and excess oxygen non-stoichiometry phenomena","Journal of Materials Chemistry","1994","4","6","895","898","10.1039/jm9940400895","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001773","6.728","0.005","6.728","0.005","9.838","0.005","90","","90","","120","","385.7","","","","","","","","","","","","synthetic","4","P -6 c 2","P -6c 2","188","","Barium tin(IV) cyclo-trisilicate","Pabstite","- Ba O9 Si3 Sn -","- Ba O9 Si3 Sn -","- Ba2 O18 Si6 Sn2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Sur de nouveaux germanates et silicates de type benitoite","Journal of Solid State Chemistry","1972","4","","209","218","10.1016/0022-4596(72)90107-7","","","","","","0.103","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004031","13.917","0.013","9.091","0.014","20.489","0.019","90","","102.36","0.08","90","","2532.2","5.1","293","2","293","2","","","","","","","?","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H18 N2 O9 P2 Zn -","- C5 H18 N2 O9 P2 Zn -","- C40 H144 N16 O72 P16 Zn8 -","8","1","","Fleith, S.; Josien, L.; Simon-Masseron, A.; Gramlich, V.; Patarin, J.","Synthesis and characterization of the one-dimensional zincophosphate Mu-22 : [Zn(HPO4)2]8[C5H13N2]8•8H2O","Solid State Sciences","2002","4","1","135","141","10.1016/S1293-2558(01)01222-5","","","0.71073","MoKα","","0.0304","0.0268","","0.0751","0.074","","","","0.853","0.921","0.921","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1004109","9.477","0.001","9.477","0.001","7.825","0.004","90","","90","","120","","608.6","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Tetrastrontium nonaoxotriniccolate","","- Ni3 O9 Sr4 -","- Ni3 O9 Sr4 -","- Ni9 O27 Sr12 -","3","0.5","","Abraham, F; Minaud, S; Renard, C","Preliminary crystal structure of mixed-valency Sr4 Ni3 O9, the actual formula of the so-called Sr5 Ni4 O11","Journal of Materials Chemistry","1994","4","11","1763","1764","10.1039/jm9940401763","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005011","2.8674","0.0002","2.8674","0.0002","15.801","0.002","90","","90","","120","","112.5","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Lithium molybdenum(V) dinitride","","- Li Mo N2 -","- Li Mo N2 -","- Li3 Mo3 N6 -","3","0.333333","","Elder, S H; Doerrer, L H; DiSalvo, F J; Parise, J B; Guyomard, D; Tarascon, J M","LiMoN~2~: the first metallic layered nitride","Chemistry of Materials (1,1989-","1992","4","4","928","937","10.1021/cm00022a033","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008282","8.521","","8.521","","8.521","","90","","90","","90","","618.7","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Magnesium platinum oxide","","- Mg2 O4 Pt -","- Mg2 O4 Pt -","- Mg16 O32 Pt8 -","8","0.0416667","","Muller, O; Roy, R","Synthesis and crystal structure of Mg~2~ Pt O~4~ and Zn~2~ Pt O~4~","Materials Research Bulletin","1969","4","","39","44","10.1016/0025-5408(69)90014-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008283","8.549","","8.549","","8.549","","90","","90","","90","","624.8","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Zinc platinum oxide","","- O4 Pt Zn2 -","- O4 Pt Zn2 -","- O32 Pt8 Zn16 -","8","0.0416667","","Muller, O; Roy, R","Synthesis and crystal structure of Mg~2~ Pt O~4~ and Zn~2~ Pt O~4~","Materials Research Bulletin","1969","4","","39","44","10.1016/0025-5408(69)90014-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008499","10.203","0.001","10.203","0.001","6.611","0.001","90","","90","","90","","688.2","","300","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Thorium iron carbide (1/11/1.4)","","- C1.5 Fe11 Th -","- C1.384 Fe11 Th -","- C5.536 Fe44 Th4 -","4","0.125","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2)","Journal of Physics: Condensed Matter","1992","4","","6367","6374","10.1088/0953-8984/4/30/003","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1008500","10.249","0.001","10.249","0.001","6.649","","90","","90","","90","","698.4","","300","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Thorium iron carbide (1/11/1.8)","","- C2 Fe11 Th -","- C1.784 Fe11 Th -","- C7.136 Fe44 Th4 -","4","0.125","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2)","Journal of Physics: Condensed Matter","1992","4","","6367","6374","10.1088/0953-8984/4/30/003","","","","","","0.007","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1008501","10.191","0.001","10.191","0.001","6.609","0.001","90","","90","","90","","686.4","","300","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Thorium iron carbide (1/11/1.3)","","- C1.35 Fe11 Th -","- C1.288 Fe11 Th -","- C5.152 Fe44 Th4 -","4","0.125","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2)","Journal of Physics: Condensed Matter","1992","4","","6367","6374","10.1088/0953-8984/4/30/003","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1008502","10.19","0.001","10.19","0.001","6.592","0.001","90","","90","","90","","684.5","","2","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Thorium iron carbide (1/11/1.3)","","- C1.5 Fe11 Th -","- C1.256 Fe11 Th -","- C5.024 Fe44 Th4 -","4","0.125","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2)","Journal of Physics: Condensed Matter","1992","4","","6367","6374","10.1088/0953-8984/4/30/003","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1008503","10.262","0.001","10.262","0.001","6.656","0.001","90","","90","","90","","700.9","","2","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Thorium iron carbide (1/11/1.8)","","- C2 Fe11 Th -","- C1.768 Fe11 Th -","- C7.072 Fe44 Th4 -","4","0.125","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2)","Journal of Physics: Condensed Matter","1992","4","","6367","6374","10.1088/0953-8984/4/30/003","","","","","","0.01","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1008504","10.174","0.001","10.174","0.001","6.581","0.001","90","","90","","90","","681.2","","2","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Thorium iron carbide (1/11/1.3)","","- C1.35 Fe11 Th -","- C1.336 Fe11 Th -","- C5.344 Fe44 Th4 -","4","0.125","","Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J","Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2)","Journal of Physics: Condensed Matter","1992","4","","6367","6374","10.1088/0953-8984/4/30/003","","","","","","0.014","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1008978","6.102","0.002","6.102","","3.654","0.001","90","","90","","120","","117.8","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Chromium nickel arsenide (1/1/1)","","- As Cr Ni -","- As Cr Ni -","- As3 Cr3 Ni3 -","3","0.25","","Nylund, M A; Roger, A; Senateur, J P; Fruchart, R","Evolution structurale des phosphures, arseniures et arseniophophures M2 P, M2 As et M2 (P1-x Asx)","Journal of Solid State Chemistry","1972","4","","115","122","10.1016/0022-4596(72)90139-9","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008979","6.51","0.001","6.51","","3.685","0.001","90","","90","","120","","135.2","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Chromium palladium arsenide (1/1/1)","","- As Cr Pd -","- As Cr Pd -","- As3 Cr3 Pd3 -","3","0.25","","Deyris, B; Roy-Montreuil, J; Michel, A; Fruchart, R; Senateur, J P; Boursier, D","Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM'As (M=Ru, Rh, Pd; M' = element des transition 3d)","Annales de Chimie (Paris) (Vol=Year)","1979","4","","411","417","","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008980","6.384","0.001","6.384","","3.718","0.001","90","","90","","120","","131.2","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Chromium rhodium arsenide (1/1/1)","","- As Cr Rh -","- As Cr Rh -","- As3 Cr3 Rh3 -","3","0.25","","Deyris, B; Roy-Montreuil, J; Michel, A; Fruchart, R; Senateur, J P; Boursier, D","Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM'As (M=Ru, Rh, Pd; M' = element des transition 3d)","Annales de Chimie (Paris) (Vol=Year)","1979","4","","411","417","","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008987","6.5155","0.001","6.5155","","3.614","0.001","90","","90","","120","","132.9","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Manganese ruthenium arsenide (1/1/1)","","- As Mn Ru -","- As Mn Ru -","- As3 Mn3 Ru3 -","3","0.25","","Roy-Montreuil, J; Deyris, B; Michel, A; Fruchart, R; Senateur, J P; Boursier, D","Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM' P et MM' AS","Annales de Chimie (Paris) (Vol=Year)","1979","4","","411","417","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009058","3.05","","3.05","","3.113","","90","","90","","120","","25.1","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Molybdenum boride","","- B2 Mo -","- B2 Mo -","- B2 Mo -","1","0.0416667","","Bertaut, E. F.; Blum, P.","Existence et structure d'une nouvelle phase dans le systeme Mo-B","Acta Crystallographica","1951","4","1","72","72","10.1107/s0365110x51000180","","","","","","","","","","","","","","","","","","","","","has coordinates","182023","2020-10-21","18:00:00",""
"1010041","4.13","0.004","4.13","0.004","5.472","0.005","90","","90","","120","","80.8","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Platinum(III) antimonide","","- Pt Sb -","- Pt Sb -","- Pt2 Sb2 -","2","0.0833333","","Thomassen, L","Ueber Kristallstrukturen einiqer binaerer Verbindungen der Platinmetalle II","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","4","","277","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010324","5.995","","5.995","","5.995","","90","","90","","90","","215.5","","","","","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","Silver phosphate","","- Ag3 O4 P -","- Ag3 O4 P -","- Ag6 O8 P2 -","2","0.0833333","","Helmholz, L","The Crystal Structure of Silver Phosphate","Journal of Chemical Physics","1936","4","","316","322","10.1063/1.1749847","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010439","4.74","","4.74","","6.65","","90","","90","","120","","129.4","","","","","","","","","","","","I","2","","","","","Ice","Ice","- H2 O -","","","4","","","John, A S","The Crystal Structure of Ice","Proceedings of the National Academy of Sciences, U.S.A.","1918","4","","193","197","10.1073/pnas.4.7.193","","","","","","","","","","","","","","","","","","","","","","201954","2020-10-21","18:00:00",""
"1010519","7.42","0.07","4.29","0.04","14.1","","90","","92","","90","","448.6","","","","","","","","","","","","","1","C 1 2 1","C 2y","5","","Polonium","","- Po -","- Po -","- Po12 -","12","3","","Rollier, M A; Hendricks, S B; Maxwell, L R","The Crystal Structure of Polonium by Electron Diffraction","Journal of Chemical Physics","1936","4","","648","652","10.1063/1.1749762","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010520","11.66","0.05","22.34","0.1","6.86","0.03","90","","90","","90","","1786.9","","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","","Germanium sulfide","","- Ge S2 -","- Ge S2 -","- Ge24 S48 -","24","1.5","","Zachariasen, W H","The Crystal Structure of Germanium Disulphide","Journal of Chemical Physics","1936","4","","618","619","10.1063/1.1749915","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010788","2.34","","2.34","","2.34","","91.5","","91.5","","91.5","","12.8","","","","","","","","","","","","","2","","","","","Manganese chloride","Scacchite","- Cl2 Mn -","","","1","","","Bruni, G; Ferrari, A","Sulla struttura cristallina di alcuni cloruri bivalenti","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1926","4","","10","13","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010798","11.95","","13.82","","6.71","","90","","103.63","","90","","1076.9","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Barium tetracyanopalladate(II) tetrahydrate","","- C4 H8 Ba N4 O4 Pd -","- C4 H8 Ba N4 O4 Pd -","- C16 H32 Ba4 N16 O16 Pd4 -","4","0.5","","de Rassenfosse, A; Pierard, J","Etude cristallographique du palladocyanure de baryum. Ba Pd (C N)~4~ (H~2~ O)~4~.","Bulletin de la Societe Royal des Sciences de Liege","1935","4","","74","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1010800","17.08","","18.98","","6.64","","90","","90","","90","","2152.5","","","","","","","","","","","","","5","","","","","Calcium tetracyanoplatinate(II) pentahydrate","","- Ca H10 N4 O5 Pt -","","","8","","","Brasseur, H; de Rassenfosse, A","Etude cristallopraphique du platinocyanure de calcium hydrate.","Bulletin de la Societe Royal des Sciences de Liege","1935","4","","24","33","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010845","5.7","","5.7","","6.72","","90","","90","","90","","218.3","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Dipotassium hyperoxide","","- K2 O4 -","","","2","0.0625","","Kassatochkin, W; Kotow, W","Structure of Potassium Tetroxide","Journal of Chemical Physics","1936","4","","458","458","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010848","13.2","0.05","7.45","0.02","7.58","0.02","90","","91","","90","","745.3","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Thallium trithionate","","- O6 S3 Tl2 -","","","4","0.5","","Ketelaar, J A A; Sanders, J K","The Crystal Structure of Thallium Trithionate, Tl~2~ S~3~ O~6~","Journal of Chemical Physics","1936","4","","621","621","10.1063/1.1749917","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010918","6.86","","6.86","","12.7","","90","","90","","120","","517.6","","","","","","","","","","","","","4","P 32 2 1 S","","154","","Calcium sulfate hemihydrate","Bassanite","- Ca H O4.5 S -","- Ca H O4.5 S -","- Ca6 H6 O27 S6 -","6","","","Gallitelli, P","Ricerche sul solfato di calcio semidrato e sull'anidrite solubile","Periodico di Mineralogia","1933","4","","132","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011024","10.2","","5.87","","7.17","","90","","90","","90","","429.3","","","","","","","","","","","","","2","I b a m (a,b,c+1/4)","-I 2 2c (x,y,z-1/4)","72","","Dihydrogen oxide - Ice III","Ice III","- H2 O -","- H2 O -","- H32 O16 -","16","","","McFarlan, R L","The Structure of Ice III","Journal of Chemical Physics","1936","4","","253","259","10.1063/1.1749832","","","","","","","","","","","","","","","","","","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1011063","7.8","","4.5","","5.56","","90","","90","","90","","195.2","","","","","","","","","","","","synthetic","2","C 2 2 21","C 2c 2","20","","Dihydrogen oxide - ice II","Ice II ?","- H2 O -","- H2 O -","- H16 O8 -","8","1","","McFarlan, Ronald L.","The Structure of Ice II","The Journal of Chemical Physics","1936","4","1","60","64","10.1063/1.1749748","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011101","4.32","","4.32","","4.32","","90","","90","","90","","80.6","","","","","","","","","","","","synthetic","2","F m -3 m","-F 4 2 3","225","","Titanium(III) nitride","Osbornite","- N Ti -","- N Ti -","- N4 Ti4 -","4","0.0208333","","van Arkel, A E","An X-ray examination of titanium nitride. I","Physica (Amsterdam) (1,1921-13,1933)","1924","4","","286","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011115","8.04","","10.27","","3.82","","90","","90","","90","","315.4","","","","","","","","","","","","synthetic","4","P 21 21 2","P 2 2ab","18","","Ammonium oxalate monohydrate","Oxammite","- C2 H10 N2 O5 -","- C2 H10 N2 O5 -","- C4 H20 N4 O10 -","2","0.5","","Hendriks, S B; Jefferson, M E","Electron distribution in (N H4)2 (C2 O4) . (H2 O) and the structure of the oxalate group","Journal of Chemical Physics","1936","4","","102","107","10.1063/1.1749795","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1011161","10.74","","10.74","","8.64","","90","","90","","120","","863.1","","","","","","","","","","","","from Schneeberg, Saxony","3","R 3 c :H","R 3 -2""c","161","","Silver trithioarsenate(III)","Proustite","- Ag3 As S3 -","- Ag3 As S3 -","- Ag18 As6 S18 -","6","0.333333","","Harker, D","The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3","Journal of Chemical Physics","1936","4","","381","390","10.1063/1.1749863","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011162","11.04","","11.04","","8.71","","90","","90","","120","","919.4","","","","","","","","","","","","from Freiberg, Saxony","3","R 3 c :H","R 3 -2""c","161","","Silver trithioantimonate(III)","Pyrargyrite","- Ag3 S3 Sb -","- Ag3 S3 Sb -","- Ag18 S18 Sb6 -","6","0.333333","","Harker, D","The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3","Journal of Chemical Physics","1936","4","","381","390","10.1063/1.1749863","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011348","5.982","0.004","5.982","","5.982","","90","","90","","90","","214.1","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Palladium arsenide (1/2)","","- As2 Pd -","- As2 Pd -","- As8 Pd4 -","4","0.166667","","Thomassen, L","Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle II","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","4","","277","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100115","7.887","0.006","5.502","0.005","15.812","0.003","90","","112.03","0.04","90","","636.053","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-(1,8-Octanediammonium (μ~2~-fluoro)-tetrafluoro-aluminium)","","- C8 H22 Al F5 N2 -","- C8 H22 Al F5 N2 -","- C16 H44 Al2 F10 N4 -","2","1","","E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve","Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds","Solid State Sciences","2002","4","","1213","1219","10.1016/S1293-2558(02)01384-5","","","","","","","0.0755","","","0.0755","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100116","7.881","0.005","5.489","0.002","18.36","0.01","90","","112.21","0.06","90","","735.303","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-(1,10-Decanediammonium (μ~2~-fluoro)-tetrafluoro-aluminium)","","- C10 H26 Al F5 N2 -","- C10 H26 Al F5 N2 -","- C20 H52 Al2 F10 N4 -","2","1","","E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve","Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds","Solid State Sciences","2002","4","","1213","1219","10.1016/S1293-2558(02)01384-5","","","","","","","0.0892","","","0.0892","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100117","7.8713","0.0003","5.4739","0.0004","20.898","0.002","90","","112.422","0.003","90","","832.354","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-(1,12-Dodecanediammonium (μ~2~-fluoro)-tetrafluoro-aluminium)","","- C12 H30 Al F5 N2 -","- C12 H30 Al F5 N2 -","- C24 H60 Al2 F10 N4 -","2","1","","E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve","Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds","Solid State Sciences","2002","4","","1213","1219","10.1016/S1293-2558(02)01384-5","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100120","6.6226","0.0006","11.494","0.002","9.021","0.002","90","","90","","90","","686.68","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dibarium Cobalt Dicarbonate Difluoride","","- C2 Ba2 Co F2 O6 -","- C2 Ba2 Co F2 O6 -","- C8 Ba8 Co4 F8 O24 -","4","0.5","","Ben Ali, A.; Maisonneuve, V.; Kodjikian, S.; Smiri, L. S.; Leblanc, M.","Synthesis, crystal structure and magnetic properties of a new fluoride carbonate Ba~2~Co(CO~3~)~2~F~2~","Solid State Sciences","2002","4","4","503","506","10.1016/S1293-2558(02)01274-8","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100121","4.912","0.0008","4.912","0.0008","9.919","0.001","90","","90","","120","","207.26","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Barium Manganese Carbonate Difluoride","","- C Ba F2 Mn O3 -","- C Ba F2 Mn O3 -","- C2 Ba2 F4 Mn2 O6 -","2","0.166667","","Ben Ali, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M.","Synthesis and crystal structure of Ba Zn (C O3) F2; revision of the structure of Ba Mn (C O3) F2","Solid State Sciences","2002","4","7","891","894","10.1016/S1293-2558(02)01339-0","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100122","4.8523","0.0008","4.8523","0.0008","9.854","0.001","90","","90","","120","","200.93","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Barium Zinc Carbonate Difluoride","","- C Ba F2 O3 Zn -","- C Ba F2 O3 Zn -","- C2 Ba2 F4 O6 Zn2 -","2","0.166667","","Ben Ali, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M.","Synthesis and crystal structure of Ba Zn (C O3) F2; revision of the structure of Ba Mn (C O3) F2","Solid State Sciences","2002","4","7","891","894","10.1016/S1293-2558(02)01339-0","","","","","","0.016","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100127","17.44","0.006","6.1003","0.0017","11.2366","0.0014","90","","95.64","0.03","90","","1189.67","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Disodium Ytterbium Dicarbonate Fluoride","","- C2 F Na2 O6 Yb -","- C2 F Na2 O6 Yb -","- C16 F8 Na16 O48 Yb8 -","8","1","","Ben Ali, A.; Maisonneuve, V.; Leblanc, M.","Phase stability regions in the (Na2 C O3) - (Yb F3) - (H2 O) system at 190 C. Crystal structures of two new fluoride carbonates, Na2 Yb (C O3)2 F and Na3 Yb (C O3)2 F2","Solid State Sciences","2002","4","11-12","1367","1375","10.1016/S1293-2558(02)00024-9","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100128","7.127","0.002","29.816","0.009","6.928","0.0004","90","","112.56","0.03","90","","1359.54","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Trisodium Ytterbium Dicarbonate Difluoride","","- C2 F2 Na3 O6 Yb -","- C2 F2 Na3 O6 Yb -","- C16 F16 Na24 O48 Yb8 -","8","2","","Ben Ali, A.; Maisonneuve, V.; Leblanc, M.","Phase stability regions in the (Na2 C O3) - (Yb F3) - (H2 O) system at 190 C. Crystal structures of two new fluoride carbonates, Na2 Yb (C O3)2 F and Na3 Yb (C O3)2 F2","Solid State Sciences","2002","4","11-12","1367","1375","10.1016/S1293-2558(02)00024-9","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100644","8.6024","0.0018","10.1643","0.0015","10.2254","0.0013","86.61","0.009","79.601","0.013","69.707","0.009","824.81","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Cl2 N2 O6 Zn2 -","- C52 H64 Cl4 N4 O10 Zn4 -","- C52 H64 Cl4 N4 O10 Zn4 -","1","0.5","","Boche, Gernot; Bosold, Ferdinand; Hermann, Holger; Marsch, Michael; Harms, Klaus; Lohrenz, J. C. W.","Crystal Structure of [2-ZnCl-benzoxazole·2 THF]~2~: The Remarkable Difference between 2-ZnHal- and 2-Li-oxazoles","Chemistry - A European Journal","1998","4","5","814","817","10.1002/(sici)1521-3765(19980515)4:5<814::aid-chem814>3.0.co;2-f","","","","","","","","","","","","","","","","","","","","","has coordinates","177970","2020-10-21","18:00:00",""
"1101061","25.778","0.005","13.521","0.003","13.315","0.003","90","","98.06","0.03","90","","4595","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Ag2 N26 O14 Pt2 -","- C36 H24 Ag2 N26 O14 Pt2 -","- C144 H96 Ag8 N104 O56 Pt8 -","4","0.5","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure","Structure of a tetranuclear heterometallic Ag(I)-Pt(II) complex with a triazolopyrimidine derivative.","Inorganic Chemistry Communications","2001","4","","254","256","10.1016/S1387-7003(01)00190-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505170","5.6367","0.0004","32.91","0.003","9.4476","0.0007","90","","102.342","0.006","90","","1712.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","{1[(1-benzimidazolyl)methyl]-4[(1-pyrazolyl)methyl]benzene}2, succinic acid","","- C40 H38 N8 O4 -","- C40 H38 N8 O4 -","- C80 H76 N16 O8 -","2","0.5","","Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John","Cocrystal or Salt: Does It Really Matter?","Molecular Pharmaceutics","2007","4","3","317","","10.1021/mp060126o","","","0.71073","MoKα","","0.0918","0.0545","","","0.1276","0.1448","","","","","","0.92","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505171","7.1555","0.0008","17.958","0.002","10.9686","0.0012","90","","101.301","0.002","90","","1382.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(4-pyridyl)-pyrazole, 2,6-difluorobenzoic acid","","- C15 H11 F2 N3 O2 -","- C15 H11 F2 N3 O2 -","- C60 H44 F8 N12 O8 -","4","1","","Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John","Cocrystal or Salt: Does It Really Matter?","Molecular Pharmaceutics","2007","4","3","317","","10.1021/mp060126o","","","0.71073","MoKα","","0.0607","0.0453","","","0.1056","0.1137","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505172","8.8864","0.0005","11.9875","0.0007","13.7015","0.0008","99.38","0.001","93.191","0.001","107.556","0.001","1364.42","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","MF-34-33 3-(4-pyridyl)pyrazole, (Me5-PhCOOH)2","","- C32 H39 N3 O4 -","- C32 H39 N3 O4 -","- C64 H78 N6 O8 -","2","1","","Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John","Cocrystal or Salt: Does It Really Matter?","Molecular Pharmaceutics","2007","4","3","317","","10.1021/mp060126o","","","0.71073","MoKα","","0.0788","0.0529","","","0.124","0.1331","","","","","","0.947","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505173","9.7657","0.0006","11.7691","0.0007","14.0803","0.0009","86.227","0.001","74.163","0.001","86.202","0.001","1551.53","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-[(1-benzimidazolyl)methyl]-3-[(1-pyrazolyl)methyl]benzene (3,5-diNO2PhCOOH)2","","- C32 H24 N8 O12 -","- C32 H24 N8 O12 -","- C64 H48 N16 O24 -","2","1","","Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John","Cocrystal or Salt: Does It Really Matter?","Molecular Pharmaceutics","2007","4","3","317","","10.1021/mp060126o","","","0.71073","MoKα","","0.0513","0.0456","","","0.124","0.1294","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505174","8.7478","0.0002","6.5361","0.0001","12.5842","0.0002","90","","107.296","0.001","90","","686.98","0.02","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","theophylline:sorbic acid cocrystal (1:1)","theophylline sorbic acid","","- C13 H16 N4 O4 -","- C13 H16 N4 O4 -","- C26 H32 N8 O8 -","2","0.5","","Childs, Scott L.; Stahly, G. Patrick; Park, Aeri","The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State","Molecular Pharmaceutics","2007","4","3","323","","10.1021/mp0601345","","","1.54178","CuKα","","0.0454","0.0381","","","0.1005","0.1221","","","","","","1.192","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505175","6.9183","0.0003","25.9086","0.001","7.9749","0.0004","90","","104.754","0.003","90","","1382.32","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","theophylline:salicylic acid cocrystal (1:1)","theophylline salicylic acid","","- C14 H15 N4 O5 -","- C14 H14 N4 O5 -","- C56 H56 N16 O20 -","4","1","","Childs, Scott L.; Stahly, G. Patrick; Park, Aeri","The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State","Molecular Pharmaceutics","2007","4","3","323","","10.1021/mp0601345","","","1.54178","CuKα","","0.0777","0.0508","","","0.1045","0.1119","","","","","","1.014","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505176","11.814","0.003","31.707","0.008","8.92","0.002","90","","98.072","0.007","90","","3308.2","1.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","theophylline:1-hydroxy-2-naphthoic acid cocrystal (1:1)","theophylline 1-hydroxy-2-naphthoic acid","","- C18 H16 N4 O5 -","- C18 H16 N4 O5 -","- C144 H128 N32 O40 -","8","2","","Childs, Scott L.; Stahly, G. Patrick; Park, Aeri","The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State","Molecular Pharmaceutics","2007","4","3","323","","10.1021/mp0601345","","","1.54178","CuKα","","0.1865","0.0689","","","0.1536","0.2098","","","","","","0.909","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505177","7.1201","0.0018","7.928","0.002","24.763","0.006","90","","91.66","0.007","90","","1397.2","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","theophylline:4-hydroxybenzoic acid cocrystal (1:1)","theophylline 4-hydroxybenzoic acid","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C56 H56 N16 O20 -","4","1","","Childs, Scott L.; Stahly, G. Patrick; Park, Aeri","The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State","Molecular Pharmaceutics","2007","4","3","323","","10.1021/mp0601345","","","1.54178","CuKα","","0.0637","0.0361","","","0.0792","0.0863","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505178","8.7337","0.0002","15.3838","0.0003","11.5271","0.0003","90","","99.256","0.002","90","","1528.59","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","theophylline:acetaminophen cocrystal (1:1)","theophylline:acetaminophen cocrystal (1:1)","","- C15 H17 N5 O4 -","- C15 H17 N5 O4 -","- C60 H68 N20 O16 -","4","1","","Childs, Scott L.; Stahly, G. Patrick; Park, Aeri","The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State","Molecular Pharmaceutics","2007","4","3","323","","10.1021/mp0601345","","","1.54178","CuKα","","0.0607","0.0441","","","0.1221","0.1505","","","","","","1.168","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505179","8.7804","0.0005","6.5989","0.0004","16.0041","0.001","90","","102.292","0.004","90","","906.04","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","anhydrous aminophylline","theophylline ethylenediamine","","- C8 H12 N5 O2 -","- C8 H12 N5 O2 -","- C32 H48 N20 O8 -","4","1","","Childs, Scott L.; Stahly, G. Patrick; Park, Aeri","The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State","Molecular Pharmaceutics","2007","4","3","323","","10.1021/mp0601345","","","1.54178","CuKα","","0.0941","0.0794","","","0.2394","0.2473","","","","","","1.217","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505180","8.3936","0.0007","10.2277","0.0006","11.8295","0.0006","78.839","0.003","77.795","0.004","81.075","0.004","966.87","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","aminophylline hydrate","theophylline ethylenediamine hydrate","","- C16 H26 N10 O5 -","- C16 H26 N10 O5 -","- C32 H52 N20 O10 -","2","1","","Childs, Scott L.; Stahly, G. Patrick; Park, Aeri","The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State","Molecular Pharmaceutics","2007","4","3","323","","10.1021/mp0601345","","","1.54178","CuKα","","0.039","0.036","","","0.0915","0.0945","","","","","","0.849","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505181","8.1434","0.0005","20.7559","0.0011","10.6511","0.0007","90","","110.276","0.003","90","","1688.73","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","niflumic acid:maleic acid salt (1:1)","2-(3-(trifluoromethyl)anilino)-nicotinic acid maleic acid","","- C17 H13 F3 N2 O6 -","- C17 H13 F3 N2 O6 -","- C68 H52 F12 N8 O24 -","4","1","","Childs, Scott L.; Stahly, G. Patrick; Park, Aeri","The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State","Molecular Pharmaceutics","2007","4","3","323","","10.1021/mp0601345","","","1.54178","CuKα","","0.0778","0.0531","","","0.1058","0.1118","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505182","7.6063","0.0017","14.042","0.003","16.327","0.004","90","","94.03","0.004","90","","1739.5","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","caffeine 1-hydroxy-2-naphthoic acid","","","- C19 H18 N4 O5 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; Borchardt, Thomas B.; MacGillivray, Leonard R.; Zhang, Geoff G. Z.","Co-Crystals of Caffeine and Hydroxy-2-naphthoic Acids: Unusual Formation of the Carboxylic Acid Dimer in the Presence of a Heterosynthon","Molecular Pharmaceutics","2007","4","3","339","","10.1021/mp070004b","","","0.71073","MoKα","","0.1198","0.0926","","","0.204","0.2166","","","","","","1.258","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505183","9.04","0.009","24.42","0.02","8.654","0.008","90","","117.015","0.014","90","","1702","3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","caffeine 3-hydroxy-2-naphthoic acid","","","- C19 H18 N4 O5 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; Borchardt, Thomas B.; MacGillivray, Leonard R.; Zhang, Geoff G. Z.","Co-Crystals of Caffeine and Hydroxy-2-naphthoic Acids: Unusual Formation of the Carboxylic Acid Dimer in the Presence of a Heterosynthon","Molecular Pharmaceutics","2007","4","3","339","","10.1021/mp070004b","","","0.71073","MoKα","","0.1038","0.0631","","","0.0972","0.1011","","","","","","1.559","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505184","8.029","0.003","8.592","0.003","13.996","0.005","106.475","0.005","98.162","0.005","104.904","0.006","870.3","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N4 O5 -","- C19 H18 N4 O5 -","- C38 H36 N8 O10 -","2","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; Borchardt, Thomas B.; MacGillivray, Leonard R.; Zhang, Geoff G. Z.","Co-Crystals of Caffeine and Hydroxy-2-naphthoic Acids: Unusual Formation of the Carboxylic Acid Dimer in the Presence of a Heterosynthon","Molecular Pharmaceutics","2007","4","3","339","","10.1021/mp070004b","","","0.71073","MoKα","","0.0757","0.0605","","","0.1149","0.1187","","","","","","1.53","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505185","17.9217","0.0002","6.1766","0.0001","15.3751","0.0003","90","","105.212","0.001","90","","1642.32","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2","theophylline-citric acid-water 1/1/1","","- C13 H18 N4 O10 -","- C13 H18 N4 O10 -","- C52 H72 N16 O40 -","4","1","","Karki, Shyam; Friščić, Tomislav; Jones, William; Motherwell, W. D. Samuel","Screening for Pharmaceutical Cocrystal Hydrates via Neat and Liquid-Assisted Grinding","Molecular Pharmaceutics","2007","4","3","347","","10.1021/mp0700054","","","0.71073","MoKα","","0.0431","0.0393","","","0.1155","0.1189","","","","","","1.086","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505186","7.3874","0.0001","8.3967","0.0002","13.5053","0.0003","91.333","0.001","99.04","0.001","99.588","0.001","814.72","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","3","caffeine-citric acid 1/1","","- C14 H18 N4 O9 -","- C14 H18 N4 O9 -","- C28 H36 N8 O18 -","2","1","","Karki, Shyam; Friščić, Tomislav; Jones, William; Motherwell, W. D. Samuel","Screening for Pharmaceutical Cocrystal Hydrates via Neat and Liquid-Assisted Grinding","Molecular Pharmaceutics","2007","4","3","347","","10.1021/mp0700054","","","0.71073","MoKα","","0.044","0.0382","","","0.1055","0.1102","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505187","11.231","0.002","12.33","0.002","6.9082","0.0012","90","","90","","90","","956.6","0.3","297","2","297","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C2 H5 O5.5 -","- C2 H5 O5.5 -","- C16 H40 O44 -","8","1","","Wenger, Mazal; Bernstein, Joel","Cocrystal Design Gone Awry? A New Dimorphic Hydrate of Oxalic Acid","Molecular Pharmaceutics","2007","4","3","355","","10.1021/mp070006w","","","0.71073","MoKα","","0.0605","0.0571","","","0.1745","0.1795","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505188","6.337","0.002","7.247","0.003","10.571","0.004","94.345","0.01","100.244","0.009","97.674","0.011","471","0.3","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C4 H9 O11 -","- C4 H10 O11 -","- C8 H20 O22 -","2","1","","Wenger, Mazal; Bernstein, Joel","Cocrystal Design Gone Awry? A New Dimorphic Hydrate of Oxalic Acid","Molecular Pharmaceutics","2007","4","3","355","","10.1021/mp070006w","","","0.71073","MoKα","","0.0618","0.0518","","","0.1416","0.1514","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505189","13.223","0.003","6.1971","0.0012","14.63","0.003","90","","113.661","0.003","90","","1098.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","- C52 H44 N8 O4 -","2","0.5","","Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor","Molecular Pharmaceutics","2007","4","3","401","","10.1021/mp070012s","","","0.71073","MoKα","","0.0803","0.0597","","","0.1463","0.155","","","","","","1.103","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505190","18.715","0.008","7.228","0.003","23.208","0.009","90","","90.478","0.012","90","","3139","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C152 H120 N24 O8 -","8","1","","Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor","Molecular Pharmaceutics","2007","4","3","401","","10.1021/mp070012s","","","0.71073","MoKα","","0.1331","0.0688","","","0.1307","0.149","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505191","16.5421","0.0017","7.5056","0.0008","18.709","0.002","90","","106.763","0.002","90","","2224.2","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N4 O2 -","- C26 H20 N4 O2 -","- C104 H80 N16 O8 -","4","1","","Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor","Molecular Pharmaceutics","2007","4","3","401","","10.1021/mp070012s","","","0.71073","MoKα","","0.0593","0.0504","","","0.1434","0.1501","","","","","","1.069","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505192","20.866","0.006","7.437","0.002","6.7662","0.0018","90","","98.142","0.005","90","","1039.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N4 O2 -","- C24 H18 N4 O2 -","- C48 H36 N8 O4 -","2","0.5","","Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor","Molecular Pharmaceutics","2007","4","3","401","","10.1021/mp070012s","","","0.71073","MoKα","","0.1006","0.0685","","","0.1467","0.1747","","","","","","1.082","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505193","9.906","0.012","21.65","0.03","7.59","0.009","90","","112.14","0.02","90","","1508","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","","Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor","Molecular Pharmaceutics","2007","4","3","401","","10.1021/mp070012s","","","0.71073","MoKα","","0.0992","0.0558","","","0.125","0.1461","","","","","","0.924","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505194","12.7871","0.0017","7.2838","0.0009","44.445","0.006","90","","90.895","0.003","90","","4139","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N4 O2 -","- C24 H18 N4 O2 -","- C192 H144 N32 O16 -","8","2","","Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor","Molecular Pharmaceutics","2007","4","3","401","","10.1021/mp070012s","","","0.71073","MoKα","","0.1655","0.051","","","0.1177","0.1654","","","","","","0.812","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505195","26.217","0.013","7.481","0.005","19.41","0.01","90","","128.31","0.014","90","","2987","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C144 H112 N16 O8 -","8","1","","Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor","Molecular Pharmaceutics","2007","4","3","401","","10.1021/mp070012s","","","0.71073","MoKα","","0.1238","0.063","","","0.1577","0.1753","","","","","","0.809","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505196","3.8483","0.0017","8.755","0.004","14.364","0.006","96.647","0.007","94.498","0.008","95.474","0.007","476.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N4 O2 -","- C24 H18 N4 O2 -","- C24 H18 N4 O2 -","1","0.5","","Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor","Molecular Pharmaceutics","2007","4","3","401","","10.1021/mp070012s","","","0.71073","MoKα","","0.0906","0.0659","","","0.1676","0.1926","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505197","11.195","0.003","7.335","0.002","13.53","0.004","90","","99.465","0.007","90","","1095.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","- C52 H44 N8 O4 -","2","0.5","","Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor","Molecular Pharmaceutics","2007","4","3","401","","10.1021/mp070012s","","","0.71073","MoKα","","0.1144","0.0672","","","0.1377","0.1752","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505198","18.503","0.003","7.5019","0.001","21.971","0.003","90","","92.181","0.004","90","","3047.5","0.8","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C152 H120 N24 O8 -","8","2","","Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor","Molecular Pharmaceutics","2007","4","3","401","","10.1021/mp070012s","","","0.71073","MoKα","","0.0635","0.0528","","","0.1179","0.1281","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505199","7.616","0.002","10.003","0.003","22.497","0.006","87.342","0.005","81.024","0.006","69.737","0.006","1588.1","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C76 H60 N12 O4 -","4","2","","Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor","Molecular Pharmaceutics","2007","4","3","401","","10.1021/mp070012s","","","0.71073","MoKα","","0.1392","0.0502","","","0.0962","0.1291","","","","","","0.791","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505200","14.66","0.003","4.11","0.0008","18.29","0.004","90","","90.74","0.03","90","","1101.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N4 O2 -","- C26 H20 N4 O2 -","- C52 H40 N8 O4 -","2","0.5","","Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor","Molecular Pharmaceutics","2007","4","3","401","","10.1021/mp070012s","","","0.71073","MoKα","","0.1319","0.0502","","","0.107","0.1307","","","","","","0.814","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505201","39.87","0.02","7.586","0.005","6.915","0.004","90","","91.972","0.019","90","","2090","2","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N4 O2 -","- C24 H18 N4 O2 -","- C96 H72 N16 O8 -","4","0.5","","Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor","Molecular Pharmaceutics","2007","4","3","401","","10.1021/mp070012s","","","0.71073","MoKα","","0.1894","0.0724","","","0.1568","0.197","","","","","","0.717","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505202","7.889","0.003","8.156","0.003","19.673","0.007","83.866","0.007","85.627","0.006","63.512","0.005","1125.9","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N6 O3 -","- C24 H18 N6 O3 -","- C48 H36 N12 O6 -","2","1","","Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor","Molecular Pharmaceutics","2007","4","3","401","","10.1021/mp070012s","","","0.71073","MoKα","","0.1106","0.0586","","","0.1357","0.1676","","","","","","0.938","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505203","9.171","0.004","9.941","0.005","10.265","0.005","95.674","0.008","94.987","0.008","114.784","0.008","836.9","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C36 H28 N8 O4 -","2","1","","Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor","Molecular Pharmaceutics","2007","4","3","401","","10.1021/mp070012s","","","0.71073","MoKα","","0.0593","0.0506","","","0.1329","0.1397","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505204","8.274","0.003","10.172","0.003","18.601","0.007","87.521","0.007","78.256","0.006","71.067","0.007","1449.4","0.9","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 F4 N4 O4 S -","- C30 H24 F4 N4 O4 S -","- C60 H48 F8 N8 O8 S2 -","2","1","","Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor","Molecular Pharmaceutics","2007","4","3","401","","10.1021/mp070012s","","","0.71073","MoKα","","0.094","0.0554","","","0.129","0.1498","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505205","10.385","0.0009","7.2222","0.0006","16.3763","0.0014","90","","93.686","0.001","90","","1225.72","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1:1 complex of barbituric acid and quinoxaline-N,N'-oxide","","- C12 H10 N4 O5 -","- C12 H10 N4 O5 -","- C48 H40 N16 O20 -","4","1","","Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini","Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides","Molecular Pharmaceutics","2007","4","3","417","","10.1021/mp070014c","","","0.71073","MoKα","","0.0503","0.0381","","","0.0949","0.1018","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505206","8.4083","0.0007","9.8893","0.0009","10.6761","0.0009","73.201","0.001","79.022","0.002","74.182","0.002","811.64","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1:2 Cocrystal of Barbituric acid and 4-methylpyridine N-oxide","","- C16 H18 N4 O5 -","- C16 H18 N4 O5 -","- C32 H36 N8 O10 -","2","1","","Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini","Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides","Molecular Pharmaceutics","2007","4","3","417","","10.1021/mp070014c","","","0.71073","MoKα","","0.0726","0.0516","","","0.1197","0.1316","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505207","5.258","0.003","6.478","0.003","22.118","0.011","90","","95.795","0.008","90","","749.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2:1 Cocrystal of Barbituric acid and 4,4'pyrazine-N,N'-dioxide","","- C6 H6 N3 O4 -","- C6 H6 N3 O4 -","- C24 H24 N12 O16 -","4","1","","Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini","Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides","Molecular Pharmaceutics","2007","4","3","417","","10.1021/mp070014c","","","0.71073","MoKα","","0.0464","0.0434","","","0.1053","0.1079","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505208","6.5207","0.0004","14.0377","0.0009","13.1232","0.0009","90","","104.28","0.001","90","","1164.12","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1:1 complex of saccharin and bipyridine-N,N'-oxide","","- C24 H18 N4 O8 S2 -","- C24 H18 N4 O8 S2 -","- C48 H36 N8 O16 S4 -","2","0.5","","Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini","Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides","Molecular Pharmaceutics","2007","4","3","417","","10.1021/mp070014c","","","0.71073","MoKα","","0.0411","0.0362","","","0.0921","0.0954","","","","","","1.076","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505209","7.2276","0.0005","19.5811","0.0012","9.9928","0.0006","90","","98.136","0.001","90","","1399.99","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2:1 cocrystal of 4-methylpyridine-N-oxide and barbital","","- C13 H17 N3 O4 -","- C13 H17 N3 O4 -","- C52 H68 N12 O16 -","4","1","","Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini","Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides","Molecular Pharmaceutics","2007","4","3","417","","10.1021/mp070014c","","","0.71073","MoKα","","0.0446","0.0398","","","0.1073","0.1116","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505210","8.2106","0.0005","23.9166","0.0015","20.6318","0.0013","90","","96.67","0.001","90","","4024","0.4","100","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2:4 Cocrystal of Barbital acid and 4-methylpyridine N-oxide","","- C20 H26 N4 O5 -","- C20 H26 N4 O5 -","- C160 H208 N32 O40 -","8","2","","Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini","Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides","Molecular Pharmaceutics","2007","4","3","417","","10.1021/mp070014c","","","0.71073","MoKα","","0.0988","0.0537","","","0.1406","0.1696","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505211","5.692","0.004","9.482","0.006","10.751","0.007","69.893","0.01","84.232","0.01","84.969","0.01","541.2","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1:1 cocrystal of 4-hydroxybenzamide and bipyridine-N,N'-dioxide","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","1","0.5","","Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini","Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides","Molecular Pharmaceutics","2007","4","3","417","","10.1021/mp070014c","","","0.71073","MoKα","","0.0665","0.0455","","","0.1201","0.1323","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505212","6.409","0.004","7.372","0.004","11.064","0.006","96.127","0.014","97.22","0.03","105.35","0.009","494.7","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Hydrate of 1:1 cocrystal of 4-hydroxy benzamide and pyrazine-4,4'-dioxide","","- C9 H11 N2 O4 -","- C9 H11 N2 O4 -","- C18 H22 N4 O8 -","2","1","","Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini","Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides","Molecular Pharmaceutics","2007","4","3","417","","10.1021/mp070014c","","","0.71073","MoKα","","0.0844","0.0473","","","0.1118","0.1309","","","","","","0.973","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505213","7.284","0.002","10.688","0.004","14.132","0.005","100.25","0.005","102.463","0.005","109.079","0.005","977.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1:0.5 cocrystal of Carbamazepine and Quinoxaline-N,N'-dioxide","","- C23 H18 N4 O3 -","- C23 H18 N4 O3 -","- C46 H36 N8 O6 -","2","1","","Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini","Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides","Molecular Pharmaceutics","2007","4","3","417","","10.1021/mp070014c","","","0.71073","MoKα","","0.0798","0.0548","","","0.1189","0.1295","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505214","10.237","0.004","27.247","0.012","5.135","0.002","90","","102.708","0.007","90","","1397.2","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1:0.5 cocrystal of Carbamazepine and pyrazine-N,N'-dioxide","","- C17 H14 N3 O2 -","- C17 H14 N3 O2 -","- C68 H56 N12 O8 -","4","1","","Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini","Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides","Molecular Pharmaceutics","2007","4","3","417","","10.1021/mp070014c","","","0.71073","MoKα","","0.1589","0.138","","","0.2768","0.2868","","","","","","1.294","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1507424","25.074","0.0014","6.482","0.0004","19.246","0.0011","90","","124.441","0.003","90","","2579.7","0.3","173","2","173","1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 -","- C34 H30 -","- C136 H120 -","4","0.5","","Anthony, John E.; Eaton, David L.; Parkin, Sean R.","A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives","Organic Letters","2002","4","1","15","","10.1021/ol0167356","","","0.71073","MoKα","","0.0965","0.0606","","","0.1191","0.1323","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507425","5.833","0.0012","10.146","0.002","11.642","0.002","76.25","0.03","76.93","0.03","84.99","0.03","651.5","0.2","145","1","145","1","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 Si2 -","- C32 H30 Si2 -","- C32 H30 Si2 -","1","0.5","","Anthony, John E.; Eaton, David L.; Parkin, Sean R.","A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives","Organic Letters","2002","4","1","15","","10.1021/ol0167356","","","0.71073","MoKα","","0.0587","0.0471","","","0.0981","0.1019","","","","","","1.128","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507426","7.819","0.0016","13.569","0.003","16.508","0.003","70","0.03","85.08","0.03","74.12","0.03","1582.9","0.7","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C38 H42 Si2 -","- C38 H42 Si2 -","- C76 H84 Si4 -","2","1","","Anthony, John E.; Eaton, David L.; Parkin, Sean R.","A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives","Organic Letters","2002","4","1","15","","10.1021/ol0167356","","","0.71073","MoKα","","0.1135","0.0664","","","0.139","0.1548","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507427","30.511","0.002","7.387","0.0005","32.106","0.002","90","","118.186","0.0019","90","","6378.1","0.7","173","2","173","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 Si2 -","- C38 H42 Si2 -","- C304 H336 Si16 -","8","1","","Anthony, John E.; Eaton, David L.; Parkin, Sean R.","A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives","Organic Letters","2002","4","1","15","","10.1021/ol0167356","","","0.71073","MoKα","","0.1064","0.0628","","","0.1233","0.1401","","","","","","1.05","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507428","11.2604","0.0001","15.5456","0.0002","12.5778","0.0002","90","","113.165","0.001","90","","2024.23","0.05","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 F12 O5 P -","- C18 H9 F12 O5 P -","- C72 H36 F48 O20 P4 -","4","1","","Hanes, Robert E.; Lynch, Vincent M.; Anslyn, Eric V.; Dalby, Kevin N.","Toward a Stable Hydroxyphosphorane","Organic Letters","2002","4","2","201","","10.1021/ol016941d","","","0.71073","MoKα","","0.0371","0.0314","","","0.0761","0.0792","","","","","","1.066","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507429","4.5764","0.0001","13.449","0.0003","10.3777","0.0001","90","","95.939","0.001","90","","635.3","0.02","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Se4 -","- C10 H12 Se4 -","- C20 H24 Se8 -","2","0.5","","Werz, Daniel B.; Staeb, Tobias H.; Benisch, Christoph; Rausch, Bernhard J.; Rominger, Frank; Gleiter, Rolf","Self-Organization of Chalcogen-Containing Cyclic Alkynes and Alkenes To Yield Columnar Structures","Organic Letters","2002","4","3","339","","10.1021/ol016953z","","","0.71073","MoKα","","0.0258","0.0209","","","0.0512","0.053","","","","","","1.113","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507430","4.637","","17.2194","0.0003","10.3998","0.0002","90","","91.907","0.001","90","","829.93","0.02","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Se4 -","- C14 H20 Se4 -","- C28 H40 Se8 -","2","0.5","","Werz, Daniel B.; Staeb, Tobias H.; Benisch, Christoph; Rausch, Bernhard J.; Rominger, Frank; Gleiter, Rolf","Self-Organization of Chalcogen-Containing Cyclic Alkynes and Alkenes To Yield Columnar Structures","Organic Letters","2002","4","3","339","","10.1021/ol016953z","","","0.71073","MoKα","","0.0481","0.0383","","","0.1003","0.1058","","","","","","1.081","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507431","5.2225","0.0002","10.3139","0.0004","14.2995","0.0005","90","","99.951","0.001","90","","758.65","0.05","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 S4 -","- C12 H20 S4 -","- C24 H40 S8 -","2","0.5","","Werz, Daniel B.; Staeb, Tobias H.; Benisch, Christoph; Rausch, Bernhard J.; Rominger, Frank; Gleiter, Rolf","Self-Organization of Chalcogen-Containing Cyclic Alkynes and Alkenes To Yield Columnar Structures","Organic Letters","2002","4","3","339","","10.1021/ol016953z","","","0.71073","MoKα","","0.0335","0.0273","","","0.0671","0.07","","","","","","1.089","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507432","9.8648","0.0003","5.2409","0.0002","18.8504","0.0006","90","","100.833","0.001","90","","957.21","0.06","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 S4 -","- C16 H28 S4 -","- C32 H56 S8 -","2","0.5","","Werz, Daniel B.; Staeb, Tobias H.; Benisch, Christoph; Rausch, Bernhard J.; Rominger, Frank; Gleiter, Rolf","Self-Organization of Chalcogen-Containing Cyclic Alkynes and Alkenes To Yield Columnar Structures","Organic Letters","2002","4","3","339","","10.1021/ol016953z","","","0.71073","MoKα","","0.0393","0.0288","","","0.0728","0.0773","","","","","","1.082","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507433","8.187","0.002","9.357","0.003","10.88","0.003","109.46","0.02","100.41","0.02","106.86","0.02","715.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N O3 S -","- C16 H14 N O3 S -","- C32 H28 N2 O6 S2 -","2","1","","Lee, Dong Joon; Kim, Kyongtae; Park, Yung Ja","Novel Synthesis of 5,6-Dihydro-4H-thieno[3,2-b]pyrrol-5-ones via the Rhodium(II)-Mediated Wolff Rearrangement of 3-(Thieno-2-yl)-3-oxo-2-diazopropanoates","Organic Letters","2002","4","6","873","","10.1021/ol016995n","","","0.7107","MoKα","","0.0894","0.0465","","","0.1145","0.1319","","","","","","1.083","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507434","7.639","0.004","9.002","0.004","14.719","0.003","90","","91.3","0.02","90","","1011.9","0.7","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O4 -","- C22 H26 N O4 -","- C44 H52 N2 O8 -","2","1","","Hirose, Tomoyasu; Sunazuka, Toshiaki; Shirahata, Tatsuya; Yamamoto, Daisuke; Harigaya, Yoshihiro; Kuwajima, Isao; Ōmura, Satoshi","Short Total Synthesis of (+)-Madindolines A and B","Organic Letters","2002","4","4","501","","10.1021/ol017058i","","","1.5418","CuKα","","","0.0981","","","","0.1207","","","","","","4.573","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507435","8.4503","0.0004","8.5384","0.0005","15.8256","0.0008","93.928","0.001","94.197","0.001","106.882","0.001","1084.88","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H66 N4 O2 -","- C50 H66 N4 O2 -","- C50 H66 N4 O2 -","1","0.5","","Wong, Ken-Tsung; Hung, Tsung Shi; Lin, Yuting; Wu, Chung-Chih; Lee, Gene-Hsiang; Peng, Shie-Ming; Chou, Chung Hsien; Su, Yuhlong Oliver","Suzuki Coupling Approach for the Synthesis of Phenylene−Pyrimidine Alternating Oligomers for Blue Light-Emitting Material","Organic Letters","2002","4","4","513","","10.1021/ol017066z","","","0.71073","MoKα","","0.0669","0.0445","","0.1336","0.1169","","","","1.064","1.148","1.148","","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507436","10.83","0.05","10.22","0.02","15.06","0.06","90","","90.32","0.015","90","","1667","11","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","1","","Clayden, Jonathan; Kenworthy, Martin N.","Dearomatizing Annelation of Five-Membered Rings to Naphthalenes by Organolithium Cyclization","Organic Letters","2002","4","5","787","","10.1021/ol0172626","","","0.71069","MoKα","","0.0677","0.0434","","","0.1143","0.1272","","","","","","1.051","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507437","14.6699","0.0005","7.7774","0.0003","21.9785","0.0008","90","","107.13","0.003","90","","2396.37","0.16","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H72 I N O7 Si2 -","- C45 H72 I N O7 Si2 -","- C90 H144 I2 N2 O14 Si4 -","2","1","","Hale, Karl J.; Dimopoulos, Paschalis; Cheung, Maxine L. F.; Frigerio, Mark; Steed, Jonathan W.; Levett, Philip C.","A Biosynthetic Proposal for Ring Formation in the Antitumor Agent Halichomycin. Asymmetric Synthesis of the AB-Carbon Backbone of Halichomycin","Organic Letters","2002","4","6","897","900","10.1021/ol017266a","","","0.71073","MoKα","","0.1218","0.0921","","","0.1143","0.1227","","","","","","1.154","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507438","32.068","0.008","6.4068","0.0012","17.829","0.003","90","","97.466","0.015","90","","3632","1.3","570","2","570","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 O5 -","- C19 H26 O5 -","- C152 H208 O40 -","8","1","","Hong, Bor-Cherng; Shr, Yeong-Jou; Liao, Ju-Hsiou","Unprecedented Microwave Effects on the Cycloaddition of Fulvenes. A New Approach to the Construction of Polycyclic Ring Systems","Organic Letters","2002","4","4","663","","10.1021/ol017304q","","","0.71073","MoKα","","0.1512","0.1206","","0.2177","0.2035","","","","1.052","1.236","1.236","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507439","7.905","0.002","8.227","0.002","13.861","0.003","99.55","0.02","105.59","0.02","95.6","0.02","846.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C40 H46 N2 O4 -","2","1","","Hong, Bor-Cherng; Shr, Yeong-Jou; Liao, Ju-Hsiou","Unprecedented Microwave Effects on the Cycloaddition of Fulvenes. A New Approach to the Construction of Polycyclic Ring Systems","Organic Letters","2002","4","4","663","","10.1021/ol017304q","","","0.71073","MoKα","","0.1739","0.0787","","0.3827","0.0924","","","","1.509","2.015","2.015","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507440","8.693","0.003","7.304","0.001","18.231","0.005","90","","102.64","0.03","90","","1129.5","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Hong, Bor-Cherng; Shr, Yeong-Jou; Liao, Ju-Hsiou","Unprecedented Microwave Effects on the Cycloaddition of Fulvenes. A New Approach to the Construction of Polycyclic Ring Systems","Organic Letters","2002","4","4","663","","10.1021/ol017304q","","","0.71073","MoKα","","0.0706","0.0478","","","0.1204","0.1356","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507441","9.76","0.001","9.994","0.001","12.081","0.002","90","","107.99","0.01","90","","1120.8","0.3","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C24 H21 N2 O3 P S -","- C24 H21 N2 O3 P S -","- C48 H42 N4 O6 P2 S2 -","2","1","","Moss, Robert A.; Gong, Paul K.; Morales-Rojas, Hugo","Stereochemical Study of Phosphonothioate Cleavage by a Metallomicelle","Organic Letters","2002","4","11","1835","","10.1021/ol0200394","","","1.5418","CuKα","","0.0695","0.04","","","0.0903","0.0979","","","","","","1.003","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507442","10.9333","0.0005","15.1525","0.0006","11.1724","0.0005","90","","114.297","0.001","90","","1686.95","0.13","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 S4 -","- C14 H14 N2 O2 S4 -","- C56 H56 N8 O8 S16 -","4","1","","Morita, Yasushi; Maki, Suguru; Ohmoto, Makoto; Kitagawa, Hiroshi; Okubo, Takashi; Mitani, Tadaoki; Nakasuji, Kazuhiro","Hydrogen-Bonded Charge-Transfer Complexes of TTF Containing a Uracil Moiety: Crystal Structures and Electronic Properties of the Hydrogen Cyananilate and TCNQ Complexes","Organic Letters","2002","4","13","2185","","10.1021/ol020081z","","","0.7107","MoKα","","","0.0455","","","","0.0473","","","","","","1.578","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507443","11.1052","0.0007","13.194","0.001","9.958","0.001","106.198","0.002","91.656","0.006","108.415","0.004","1318.39","0.19","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N5 O6 S4 -","- C24 H18 N5 O6 S4 -","- C48 H36 N10 O12 S8 -","2","1","","Morita, Yasushi; Maki, Suguru; Ohmoto, Makoto; Kitagawa, Hiroshi; Okubo, Takashi; Mitani, Tadaoki; Nakasuji, Kazuhiro","Hydrogen-Bonded Charge-Transfer Complexes of TTF Containing a Uracil Moiety: Crystal Structures and Electronic Properties of the Hydrogen Cyananilate and TCNQ Complexes","Organic Letters","2002","4","13","2185","","10.1021/ol020081z","","","0.7107","MoKα","","","0.054","","","","0.0927","","","","","","1.36","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507444","17.185","0.004","7.408","0.0012","10.45","0.009","90","","102.4","0.03","90","","1299.3","1.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H44 N0 O5 -","- C28 H44 O5 -","- C56 H88 O10 -","2","1","","Betancor, Carmen; Freire, Raimundo; Pérez-Martín, Inés; Prangé, Thierry; Suárez, Ernesto","A Convenient Synthesis of C-22 and C-25 Stereoisomers of Cephalostatin North 1 Side Chain from Spirostan Sapogenins","Organic Letters","2002","4","8","1295","","10.1021/ol025580e","","","1.5418","CuKα","","0.092","0.079","","","0.1975","0.1997","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507445","12.57","0.002","5.901","0.001","16.872","0.003","90","","90.64","0.1","90","","1251.4","0.4","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N0 O5 -","- C28 H46 O5 -","- C56 H92 O10 -","2","1","","Betancor, Carmen; Freire, Raimundo; Pérez-Martín, Inés; Prangé, Thierry; Suárez, Ernesto","A Convenient Synthesis of C-22 and C-25 Stereoisomers of Cephalostatin North 1 Side Chain from Spirostan Sapogenins","Organic Letters","2002","4","8","1295","","10.1021/ol025580e","","","0.947","Synchrotron","","0.0455","0.0451","","","0.105","0.105","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507446","16.2206","0.0007","22.134","0.001","11.6664","0.0004","90","","90","","90","","4188.5","0.3","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 I O5 -","- C40 H52 I2 O10 -","- C160 H208 I8 O40 -","4","2","","Usuda, Hiroyuki; Kanai, Motomu; Shibasaki, Masakatsu","Studies toward the Total Synthesis of Garsubellin A: A Concise Synthesis of the 18-epi-Tricyclic Core","Organic Letters","2002","4","5","859","","10.1021/ol0255965","","","0.7107","MoKα","","","0.0494","","","","0.1332","","","","","","1.007","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507447","31.382","0.009","14.509","0.005","19.533","0.006","90","","101.269","0.006","90","","8722","5","173","2","173","2","","","","","","","Doug Spencer","4","C 1 2/c 1","-C 2yc","15","01059","CalixPyBz","","- C100 H112 N8 O8 -","- C100 H112 N8 O8 -","- C400 H448 N32 O32 -","4","0.5","","Spencer, Douglas J. E.; Johnson, Bryan J.; Johnson, Brian J.; Tolman, William B.","Calix[4]arenes Linked to Multiple Bidentate N-Donors: Potential Ligands for Synthetic Modeling of Multinuclear Metalloenzymes","Organic Letters","2002","4","8","1391","","10.1021/ol025715g","","","0.71073","MoKα","","0.0814","0.0572","","","0.1517","0.174","","","","","","1.029","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507448","22.191","0.009","15.293","0.007","22.856","0.011","90","","106.303","0.008","90","","7445","6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","resorcinarene","","","- C80 H64 N4 O22 -","- C80 H64 N4 O22 -","- C320 H256 N16 O88 -","4","1","","Shivanyuk, Alexander; Far, Adel Rafai; Rebek, Julius","Rigid Tetranitroresorcinarenes","Organic Letters","2002","4","9","1555","","10.1021/ol025725h","","","0.71073","MoKα","","0.3773","0.1066","","","0.2713","0.4151","","","","","","0.86","","","","has coordinates,has disorder","201369","2020-10-21","18:00:00",""
"1507449","7.9615","0.0002","9.9599","0.0002","38.3334","0.001","90","","90","","90","","3039.68","0.13","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C128 H112 N16 O24 S8 -","8","2","","Siu, Tung; Yudin, Andrei K.","Electrochemical Imination of Sulfoxides Using N-Aminophthalimide","Organic Letters","2002","4","11","1839","","10.1021/ol0257530","","","0.71073","MoKα","","0.0614","0.0418","","","0.0862","0.0936","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507450","12.229","0.007","12.229","0.007","15.675","0.009","90","","90","","90","","2344","2","243","2","293","2","","","","","","","","5","P 41","P 4w","76","","((1R,3Z)-4,4,4-trifluoro-3-{[(2R)-2-(mthoxymethyl)pyrrolidin-1-yl]imino}-1- phenylbutyl)malonic acid dimethyl ester","","- C21 H27 F3 N2 O5 -","- C21 H27 F3 N2 O5 -","- C84 H108 F12 N8 O20 -","4","1","","Okano, Takashi; Fumoto, Masataka; Kusukawa, Takahiro; Fujita, Makoto","Synthesis of Optically Active Trifluoromethylated Indolizidine Derivatives via Stereoselective Radical Cyclization","Organic Letters","2002","4","9","1571","","10.1021/ol025792b","","","0.71073","MoKα","","0.0904","0.0546","","","0.1329","0.1543","","","","","","0.893","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507451","5.9581","0.0011","13.713","0.003","15.466","0.003","90","","90","","90","","1263.6","0.4","243","2","243","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(7R,8aR)-7-phenyl-8a-(trifluoromethyl)hexahydroindolizin-5(1H)-one","","- C12 H18 F3 N O -","- C12 H18 F3 N O -","- C48 H72 F12 N4 O4 -","4","1","","Okano, Takashi; Fumoto, Masataka; Kusukawa, Takahiro; Fujita, Makoto","Synthesis of Optically Active Trifluoromethylated Indolizidine Derivatives via Stereoselective Radical Cyclization","Organic Letters","2002","4","9","1571","","10.1021/ol025792b","","","0.71073","MoKα","","0.1136","0.0421","","","0.1005","0.1332","","","","","","0.597","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507452","8.958","0.002","6.548","0.003","11.546","0.002","90","","107.92","0.02","90","","644.4","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Bromo Himbacine derivative","(3S,3aR,8aR,9aR)-1,3,3a,5,6,7,8,8a,9,9a-decahydro-4-bromo-3- methylnaphto{2,3-c}furan-1(3H)-one","","- C13 H17 Br O2 -","- C13 H17 Br O2 -","- C26 H34 Br2 O4 -","2","1","","Van Cauwenberge, Gunther; Gao, Ling-Jie; Van Haver, Dirk; Milanesio, Marco; Viterbo, Davide; De Clercq, Pierre J.","A Novel Short Convergent Entry into Himbacine Derivatives","Organic Letters","2002","4","9","1579","","10.1021/ol025801g","","","0.71069","MoKα","","0.1402","0.1069","","","0.2418","0.2724","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507453","7.5807","0.001","15.193","0.002","11.4579","0.0014","90","","95.296","0.003","90","","1314","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H32 N O2 P -","- C30 H32 N O2 P -","- C60 H64 N2 O4 P2 -","2","1","","Dai, Wei-Min; Yeung, Kelly Ka Yim; Liu, Jin-Teng; Zhang, Ye; Williams, Ian D.","A Novel Class of Nonbiaryl Atropisomeric P,O-Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation†","Organic Letters","2002","4","9","1615","","10.1021/ol0258233","","","0.71073","MoKα","","0.0775","0.0491","","","0.0855","0.0955","","","","","","1.007","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507454","14.0092","0.0008","11.9178","0.0007","16.5822","0.001","90","","114.921","0.001","90","","2510.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H30 N O2 P -","- C29 H30 N O2 P -","- C116 H120 N4 O8 P4 -","4","2","","Dai, Wei-Min; Yeung, Kelly Ka Yim; Liu, Jin-Teng; Zhang, Ye; Williams, Ian D.","A Novel Class of Nonbiaryl Atropisomeric P,O-Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation†","Organic Letters","2002","4","9","1615","","10.1021/ol0258233","","","0.71073","MoKα","","0.0479","0.0415","","","0.1012","0.1057","","","","","","1.025","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507455","9.322","0.002","9.454","0.002","27.584","0.004","90","","90","","90","","2431","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 O7 -","- C22 H38 O7 -","- C88 H152 O28 -","4","1","","Salomon, Christine E.; Williams, David H.; Lobkovsky, Emil; Clardy, Jon C.; Faulkner, D. John","Relative and Absolute Stereochemistry of the Didemnaketals, Metabolites of a Palauan Ascidian,Didemnumsp.","Organic Letters","2002","4","10","1699","","10.1021/ol025904z","","","1.54178","CuKα","","0.0742","0.054","","0.1493","0.1332","","","","1.042","1.082","1.082","","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507456","11.1473","0.0009","12.954","0.001","22.317","0.002","97.649","0.001","99.83","0.002","95.559","0.002","3123.4","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","3,4-Dimethyl-6-(N,N-diphenyl)-6-(trimethylsilyl)-1-(trimethylsiloxy) -1-(trimethylsilyl)-1-silacyclohex-3-ene","","- C28 H41 N O Si4 -","- C28 H47 N O Si4 -","- C112 H188 N4 O4 Si16 -","4","2","","El-Sayed, Ibrahim; Guliashvili, Tamaz; Hazell, Rita; Gogoll, Adolf; Ottosson, Henrik","Evidence for Formation of Silenes Strongly Influenced by Reversed SiC Bond Polarity","Organic Letters","2002","4","11","1915","","10.1021/ol025920w","","","0.71073","MoKα","","","0.057","","","","0.066","","","","","","2.52","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507457","15.468","0.003","3.8318","0.0007","25.454","0.005","90","","101.002","0.004","90","","1480.9","0.5","220","2","220","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","angular [4]phenylene","","- C24 H12 -","- C24 H12 -","- C96 H48 -","4","1","","Dosa, Peter I.; Whitener, Glenn D.; Vollhardt, K. Peter C.; Bond, Andrew D.; Teat, Simon J.","Cobalt-Mediated Synthesis of Angular [4]Phenylene: Structural Characterization of a Metallacyclopentadiene(Alkyne) Intermediate and Its Thermal and Photochemical Conversion","Organic Letters","2002","4","12","2075","","10.1021/ol025956o","","","0.688","synchrotron","","0.0893","0.055","","","0.1279","0.1426","","","","","","0.972","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507458","7.0791","0.0007","13.176","0.001","15.734","0.002","111.494","0.002","95.57","0.002","100.867","0.002","1318.7","0.2","149.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C37.5 H31 Co -","- C37.5 H27 Co -","- C75 H54 Co2 -","2","1","","Dosa, Peter I.; Whitener, Glenn D.; Vollhardt, K. Peter C.; Bond, Andrew D.; Teat, Simon J.","Cobalt-Mediated Synthesis of Angular [4]Phenylene: Structural Characterization of a Metallacyclopentadiene(Alkyne) Intermediate and Its Thermal and Photochemical Conversion","Organic Letters","2002","4","12","2075","","10.1021/ol025956o","","","0.7107","MoKα","","","0.0532","","","","0.0649","","","","","","1.593","","","","has coordinates","192297","2020-10-21","18:00:00",""
"1507459","14.4895","0.0008","9.0045","0.0005","40.411","0.002","90","","96.501","0.001","90","","5238.5","0.5","138.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H31 Co O0.5 -","- C36 H31 Co O0.5 -","- C288 H248 Co8 O4 -","8","1","","Dosa, Peter I.; Whitener, Glenn D.; Vollhardt, K. Peter C.; Bond, Andrew D.; Teat, Simon J.","Cobalt-Mediated Synthesis of Angular [4]Phenylene: Structural Characterization of a Metallacyclopentadiene(Alkyne) Intermediate and Its Thermal and Photochemical Conversion","Organic Letters","2002","4","12","2075","","10.1021/ol025956o","","","0.7107","MoKα","","","0.0394","","","","0.0396","","","","","","1.316","","","","has coordinates","192298","2020-10-21","18:00:00",""
"1507460","11.468","0.005","12.686","0.004","20.298","0.004","90","","90","","90","","2953","1.7","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 Br N3 O6 -","- C27 H39 Br N3 O6 -","- C108 H156 Br4 N12 O24 -","4","1","","Gralla, Gabriele; Wibbeling, Birgit; Hoppe, Dieter","Synthesis of an Ethynyl Carbamate and Application for Enantioselective Cyclocarbolithiation","Organic Letters","2002","4","13","2193","","10.1021/ol0260674","","","1.54178","CuKα","","0.234","0.0676","","","0.1269","0.1818","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507461","12.36","0.004","13.93","0.01","10.496","0.008","90","","90","","90","","1807","2","298","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl3 N O2 -","- C19 H18 Cl3 N O2 -","- C76 H72 Cl12 N4 O8 -","4","1","","Mita, Tsuyoshi; Ohtsuki, Natsuki; Ikeno, Taketo; Yamada, Tohru","Enantioselective 1,3-Dipolar Cycloaddition of Nitrones Catalyzed by Optically Active Cationic Cobalt(III) Complexes","Organic Letters","2002","4","15","2457","","10.1021/ol026079p","","","0.71073","MoKα","","","0.032","","","","0.085","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507462","13.2705","0.0006","12.1408","0.0005","15.91","0.001","90","","97.531","0.002","90","","2541.2","0.2","103.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cl4 Ir N O -","- C25 H30 Cl4 Ir N O -","- C100 H120 Cl16 Ir4 N4 O4 -","4","1","","Suzuki, Takeyuki; Morita, Kenji; Tsuchida, Mika; Hiroi, Kunio","Mild and Chemoselective Synthesis of Lactones from Diols Using a Novel Metal−Ligand Bifunctional Catalyst","Organic Letters","2002","4","14","2361","","10.1021/ol026091h","","","0.7107","MoKα","","","0.029","","","","0.084","","","","","","1.019","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507463","13.6525","0.0016","8.1225","0.0009","8.4007","0.001","90","","97.529","0.002","90","","923.54","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N O2 -","- C11 H9 N O2 -","- C44 H36 N4 O8 -","4","1","","Hong, Bor-Cherng; Shr, Yeong-Jou; Wu, Jian-Lin; Gupta, Arun Kumar; Lin, Kuan-Jiuh","Novel [6 + 2] Cycloaddition of Fulvenes with Alkenes: A Facile Synthesis of the Anislactone and Hirsutane Framework","Organic Letters","2002","4","13","2249","","10.1021/ol026103z","","","0.71073","MoKα","","0.0718","0.0661","","","0.2174","0.2251","","","","","","1.658","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507464","10.9686","0.0009","5.7792","0.0005","16.9883","0.0014","90","","101.516","0.002","90","","1055.21","0.15","190","2","190","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 -","- C30 H22 -","- C60 H44 -","2","0.5","","Brizius, Glen; Bunz, Uwe H. F.","Increased Activity of in Situ Catalysts for Alkyne Metathesis","Organic Letters","2002","4","17","2829","","10.1021/ol026118x","","","0.71073","MoKα","","0.0434","0.0372","","","0.0938","0.0973","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507465","11.355","0.003","11.344","0.002","18.115","0.005","89.578","0.009","78.647","0.005","82.3","0.01","2266.7","1","123.1","","","","","","","","","","","2","P -1","-P 1","2","","","","- C29 H38 -","- C30 H38 -","- C120 H152 -","4","2","","Iikubo, Takashi; Hirai, Katsuyuki; Tomioka, Hideo","Generation, Direct Observation, and Kinetics of Triplet 9-(1,1,4,4,5,5,8,8- Octamethyl-1,2,3,4,5,6,7,8-octahydro- anthryl)phenylcarbene","Organic Letters","2002","4","13","2261","","10.1021/ol026119p","","","0.7107","MoKα","","","0.098","","","","0.125","","","","","","1.316","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507466","12.237","0.0008","9.6067","0.0005","20.3737","0.0009","90","","93.534","0.003","90","","2390.5","0.2","123.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 N2 -","- C29 H38 N2 -","- C116 H152 N8 -","4","1","","Iikubo, Takashi; Hirai, Katsuyuki; Tomioka, Hideo","Generation, Direct Observation, and Kinetics of Triplet 9-(1,1,4,4,5,5,8,8- Octamethyl-1,2,3,4,5,6,7,8-octahydro- anthryl)phenylcarbene","Organic Letters","2002","4","13","2261","","10.1021/ol026119p","","","0.7107","MoKα","","","0.064","","","","0.084","","","","","","1.185","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507467","7.1993","0.0003","10.0365","0.0004","31.1705","0.0013","90","","90","","90","","2252.25","0.16","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 O2 -","- C26 H40 O2 -","- C104 H160 O8 -","4","1","","Loh, Teck-Peng; Hu, Qi-Ying; Ma, Li-Ting","Stereocontrolled Synthesis of Linear 22R-Homoallylic Sterols via a Triflic Acid-Catalyzed 2-Oxonia Cope Rearrangement","Organic Letters","2002","4","14","2389","","10.1021/ol026136e","","","0.71073","MoKα","","0.0421","0.0346","","","0.0746","0.0782","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507468","12.621","0.004","22.358","0.004","23.335","0.007","90","","90","","90","","6585","3","173","2","173","1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C64 H89 Cl6 N5 O8 -","- C64 H89 Cl6 N5 O8 -","- C256 H356 Cl24 N20 O32 -","4","0.5","","Falábu, Dezsö; Shivanyuk, Alexander; Nissinen, Maija; Rissanen, Kari","Complexation of Small Molecules by Open-Ended Resorcarene Hosts","Organic Letters","2002","4","18","3019","","10.1021/ol026142a","","","0.71073","MoKα","","0.1247","0.0621","","","0.1565","0.1772","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507469","11.678","0.006","9.253","0.005","24.678","0.013","90","","94.235","0.009","90","","2659","2","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Co2 O11 Si -","- C20 H22 Co2 O11 Si -","- C80 H88 Co8 O44 Si4 -","4","1","","Skaggs, Aaron J.; Lin, Eleanor Y.; Jamison, Timothy F.","Cobalt Cluster-Containing Carbonyl Ylides for Catalytic, Three-Component Assembly of Oxygen Heterocycles","Organic Letters","2002","4","13","2277","","10.1021/ol026149s","","","0.71073","MoKα","","0.0698","0.0606","","","0.125","0.1287","","","","","","1.245","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507470","10.665","0.0005","11.095","0.0005","19.934","0.0009","83.635","0.015","78.07","0.015","65.68","0.02","2102.1","0.4","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H48 O6 -","- C52 H48 O6 -","- C104 H96 O12 -","2","1","","Barhate, Nivrutti B.; Chen, Chien-Tien","Catalytic Asymmetric Oxidative Couplings of 2-Naphthols by TridentateN-Ketopinidene-Based Vanadyl Dicarboxylates","Organic Letters","2002","4","15","2529","","10.1021/ol026156g","","","0.71073","MoKα","","0.1338","0.0944","","0.3007","0.2619","","","","1.07","1.188","1.188","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507471","8.43","0.0001","28.3483","0.0004","10.035","0.0002","90","","101.904","0.0009","90","","2346.56","0.06","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 F N O2 S Si -","- C20 H32 F N O2 S Si -","- C80 H128 F4 N4 O8 S4 Si4 -","4","1","","Lan, Yunfeng; Hammond, Gerald B.","Functionalization of Monofluoroallene and the Synthesis of Aryl-Substituted Conjugated Fluorodienes","Organic Letters","2002","4","14","2437","","10.1021/ol026196k","","","0.71073","MoKα","","0.0704","0.0454","","","0.1152","0.1273","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507472","32.285","0.004","6.4839","0.0009","18.619","0.002","90","","117.533","0.002","90","","3456.1","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 N4 O -","- C18 H24 N4 O -","- C144 H192 N32 O8 -","8","1","","Kelly, T. Ross; Cavero, Marta","Selective Monoacylation of a Diamine Using Intramolecular Delivery by a DMAP Unit","Organic Letters","2002","4","16","2653","","10.1021/ol026206h","","","0.71073","MoKα","","0.0955","0.0814","","","0.2219","0.2359","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507473","8.609","0.0003","5.81","0.0002","12.628","0.0005","90","0.01","105.779","0.002","90","0.01","607.83","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2-diphenyl-2,3-epoxypropan-1-ol","","- C15 H14 O2 -","- C15 H13 O2 -","- C30 H26 O4 -","2","1","","Capriati, Vito; Florio, Saverio; Luisi, Renzo; Salomone, Antonio","Oxiranyl Anion-Mediated Synthesis of Highly Enantiomerically Enriched Styrene Oxide Derivatives","Organic Letters","2002","4","14","2445","","10.1021/ol026212d","","","0.71073","MoKα","","0.0723","0.0662","","","0.1602","0.1727","","","","","","1.235","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507474","19.81","0.003","15.45","0.002","28.723","0.004","90","","101.23","0.005","90","","8623","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C134 H28 Cl12 O6 P2 -","- C134 H28 Cl12 O6 P2 -","- C536 H112 Cl48 O24 P8 -","4","1","","Cheng, Fuyong; Murata, Yasujiro; Komatsu, Koichi","Synthesis, X-ray Structure, and Properties of the Singly Bonded C60Dimer Having Diethoxyphosphorylmethyl Groups Utilizing the Chemistry of C602-","Organic Letters","2002","4","15","2541","","10.1021/ol026281s","","","0.71073","MoKα","","0.1344","0.0988","","","0.2564","0.2822","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507475","8.9674","0.0001","20.8342","0.0002","23.2481","0.0003","90","","90","","90","","4343.41","0.09","123.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C58 H42 N2 O4 -","- C58 H42 N2 O4 -","- C232 H168 N8 O16 -","4","1","","Shimada, Toyoshi; Kina, Asato; Ikeda, Syushiro; Hayashi, Tamio","A Novel Axially Chiral 2,2‘-BipyridineN,N‘-Dioxide. Its Preparation and Use for Asymmetric Allylation of Aldehydes with Allyl(trichloro)silane as a Highly Efficient Catalyst","Organic Letters","2002","4","16","2799","","10.1021/ol026376u","","","0.7107","MoKα","","","0.072","","","","0.044","","","","","","1.129","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507476","10.218","0.002","11.247","0.003","8.086","0.002","98.16","0.02","101.84","0.02","84.16","0.02","897.7","0.4","295","","295","","","","","","","","synthetic","6","P -1","-P 1","2","gouseiyamada","","","- C18 H20 Cl N O3 S -","- C18 H20 Cl N O3 S -","- C36 H40 Cl2 N2 O6 S2 -","2","1","","Yamada, Ken-ichi; Fujihara, Hidetaka; Yamamoto, Yasutomo; Miwa, Yoshihisa; Taga, Tooru; Tomioka, Kiyoshi","Radical Addition of Ethers to Imines Initiated by Dimethylzinc","Organic Letters","2002","4","20","3509","","10.1021/ol0266572","","","1.54051","CU","","","0.051","","","0.063","","","","","1.02","1.02","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507477","8.1438","0.0011","11.5962","0.0016","18.591","0.003","90","","95.066","0.002","90","","1748.8","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","01194","","","- C24 H16 O3 -","- C24 H16 O3 -","- C96 H64 O12 -","4","1","","Liu, Jin; Brooks, Neil R.","Stereoselective Stobbe Condensation of Ethyl Methyl Diphenylmethylenesuccinate with Aromatic Aldehydes","Organic Letters","2002","4","20","3521","","10.1021/ol026668v","","","0.71073","MoKα","","0.0418","0.0367","","","0.0968","0.1028","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507478","12.314","0.009","5.395","0.004","23.491","0.009","90","","99.5","0.05","90","","1539.2","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Williams, Jodi T.; Bahia, Perdip Singh; Snaith, John S.","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: A Switch in Diastereoselectivity between Lewis and Brønsted Acid Catalysts","Organic Letters","2002","4","21","3727","","10.1021/ol0266929","","","0.71069","MoKα","","0.0922","0.0666","","0.2162","0.1722","","","","1.006","1.062","1.062","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507479","17.1716","0.0013","6.2714","0.0007","19.602","0.003","90","","90.762","0.01","90","","2110.8","0.4","299","2","299","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","UCS1025A monohydrate","(2aR,7aS,7bR)-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-hydroxymethylene}-2,2a,3,4,6,7,7a,7b-octahydro- 7b-hydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione monohydrate","","- C20 H27 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","2","","Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka","UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies","Organic Letters","2002","4","25","4387","","10.1021/ol026923b","","","1.54184","CuKα","","0.1509","0.1177","","0.3221","0.2792","","","","1.088","1.187","1.187","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507480","6.7036","0.0004","15.5557","0.0007","22.4024","0.0013","90","","90","","90","","2336.1","0.2","298","2","298","2","","","","","","","slow evaporation of DMF solution of 2; see text","4","P 21 21 21","P 2ac 2ab","19","UCS1025B N,N-dimrthylformamide solvate","(2aR,7R,7aS,7bR)-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7,7b-dihydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione N,N-dimethylformamide solvate","","- C23 H32 N2 O7 -","- C23 H32 N2 O7 -","- C92 H128 N8 O28 -","4","1","","Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka","UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies","Organic Letters","2002","4","25","4387","","10.1021/ol026923b","","","1.54184","CuKα","","0.0629","0.0493","","0.1305","0.1191","","","","1.039","1.065","1.065","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507481","6.7479","0.0003","13.9428","0.0007","22.927","0.0009","90","","90","","90","","2157.08","0.17","294","2","294","2","","","","","","","slow evaporation of acetonitrile solution of 2; see text","4","P 21 21 21","P 2ac 2ab","19","UCS1025B acetonitrile solvate","(2aR,7R,7aS,7bR)-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7,7b-dihydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione acetonitrile solvate","","- C22 H28 N2 O6 -","- C22 H28 N2 O6 -","- C88 H112 N8 O24 -","4","1","","Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka","UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies","Organic Letters","2002","4","25","4387","","10.1021/ol026923b","","","1.54184","CuKα","","0.0526","0.0498","","0.1448","0.1411","","","","1.075","1.089","1.089","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507482","8.1266","0.0018","6.78","0.0006","17.9128","0.0015","90","","97.228","0.009","90","","979.1","0.2","298","2","298","2","","","","","","","slow evaporation of DMF solution of 5; see text","5","P 1 21 1","P 2yb","4","","(2aR,7S,7aS,7bR)-7-bromo-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7b-hydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione","","- C20 H24 Br N O5 -","- C20 H24 Br N O5 -","- C40 H48 Br2 N2 O10 -","2","1","","Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka","UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies","Organic Letters","2002","4","25","4387","","10.1021/ol026923b","","","1.54184","CuKα","","0.0621","0.044","","0.1108","0.095","","","","1.056","1.016","1.016","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507483","6.723","0.0003","9.4873","0.0002","31.0788","0.0012","90","","90","","90","","1982.3","0.12","295","2","295","2","","","","","","","slow evaporation of DMSO solution of 5; see text","5","P 21 21 21","P 2ac 2ab","19","","(2aR,7S,7aS,7bR)-7-bromo-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7b-hydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione","","- C20 H24 Br N O5 -","- C20 H24 Br N O5 -","- C80 H96 Br4 N4 O20 -","4","1","","Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka","UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies","Organic Letters","2002","4","25","4387","","10.1021/ol026923b","","","1.54184","CuKα","","0.0865","0.0561","","0.1467","0.1262","","","","1.042","1.076","1.076","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507484","11.2629","0.0014","14.534","0.0018","15.0164","0.0019","108.378","0.002","92.145","0.003","101.385","0.003","2273.7","0.5","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C61 H45 S2 -","- C61 H45 S2 -","- C122 H90 S4 -","2","1","","Wong, Ken-Tsung; Wang, Chung-Feng; Chou, Chung Hsien; Su, Yuhlong Oliver; Lee, Gene-Hsiang; Peng, Shie-Ming","Synthesis and properties of novel thiophene-based conjugated homologues: 9,9-diphenylfluorene-capped oligothiophenes.","Organic letters","2002","4","25","4439","4442","10.1021/ol027001b","","","0.71073","MoKα","","0.1979","0.0722","","","0.1621","0.2171","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507485","17.4458","0.0017","14.1729","0.0013","16.0903","0.0015","90","","100.892","0.002","90","","3906.8","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 N O4 S -","- C19 H27 N O4 S -","- C152 H216 N8 O32 S8 -","8","1","","Lu, Cheng; Lu, Xiyan","Tandem reactions to construct heterocycles via phosphine-catalyzed umpolung addition and intramolecular conjugate addition.","Organic letters","2002","4","26","4677","4679","10.1021/ol0270733","","","0.71073","MoKα","","0.1227","0.0451","","","0.0776","0.0912","","","","","","0.74","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507486","23.493","0.002","5.3111","0.0005","26.185","0.002","90","","115.918","0.002","90","","2938.6","0.4","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 O4 S6 -","- C30 H30 O4 S6 -","- C120 H120 O16 S24 -","4","0.5","","Kozaki, M.; Yonezawa, Y.; Okada, K.","Cyclopentadithiophene (CPDT) dimer dication: bipolaron model for quaterthiophenes.","Organic letters","2002","4","25","4535","4538","10.1021/ol027080r","","","0.7107","MoKα","","","0.0392","","","","0.101","","","","","","1.645","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507487","13.844","0.001","13.846","0.001","18.7","0.002","71.71","0.01","71.68","0.01","60.87","0.01","2916","0.5","173.2","","","","","","","","","","","7","P 1","P 1","1","","","","- C44 H36 Cl10 Fe2 N4 O S6 -","- C44 H32 Cl10 Fe2 N4 O S6 -","- C88 H64 Cl20 Fe4 N8 O2 S12 -","2","2","","Kozaki, M.; Yonezawa, Y.; Okada, K.","Cyclopentadithiophene (CPDT) dimer dication: bipolaron model for quaterthiophenes.","Organic letters","2002","4","25","4535","4538","10.1021/ol027080r","","","0.7107","MoKα","","","0.088","","","","0.2452","","","","","","1.238","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507488","9.636","0.0001","10.1513","0.0001","14.2933","0.0002","92.812","0.001","91.68","0.001","92.388","0.001","1394.56","0.03","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 N2 -","- C19 H16 N2 -","- C76 H64 N8 -","4","2","","Nadipuram, Asha K.; David, Wendi M.; Kumar, Dalip; Kerwin, Sean M.","Synthesis and thermolysis of heterocyclic 3-aza-3-ene-1,5-diynes(1).","Organic letters","2002","4","25","4543","4546","10.1021/ol027100p","","","0.71073","MoKα","","0.068","0.0408","","","0.0839","0.0939","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507489","28.625","0.003","6.7023","0.0006","17.446","0.002","90","","121.459","0.003","90","","2855.1","0.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H35 N O12 -","- C30 H35 N O12 -","- C120 H140 N4 O48 -","4","1","","Yang, Zhixiang; Shannon, Dean; Truong, Vouy-Linh; Deslongchamps, Pierre","Studies directed toward asymmetric synthesis of cardioactive steroids via anionic polycyclization.","Organic letters","2002","4","26","4693","4696","10.1021/ol027125o","","","0.71073","MoKα","","0.0359","0.0309","","","0.0769","0.08","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507490","10.0266","0.0002","19.7098","0.0005","10.6355","0.0003","90","","103.203","0.0009","90","","2046.25","0.09","298","","","","","","","","","","Local laboratory","6","P 1 21 1","P 2yb","4","","","","- C48 H38 Cu N3 O3 P2 -","- C48 H38 Cu N3 O3 P2 -","- C96 H76 Cu2 N6 O6 P4 -","2","1","","Bates, Craig G.; Saejueng, Pranorm; Murphy, Jaclyn M.; Venkataraman, D.","Synthesis of 2-arylbenzo[b]furans via copper(I)-catalyzed coupling of o-iodophenols and aryl acetylenes.","Organic letters","2002","4","26","4727","4729","10.1021/ol0272040","","","0.71073","MoKα","","0.0241","0.0228","","","0.0581","0.0593","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507494","13.0945","0.0001","19.8439","0.0001","18.6198","0.0003","90","","96.158","0.001","90","","4810.36","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 O14 S4 -","- C48 H60 O14 S4 -","- C192 H240 O56 S16 -","4","0.5","","Xu, Jianwei; Lai, Yee-Hing; He, Chaobin","A Unique Spherical Molecular Host withD2dSymmetry. A Novel Intramolecular Kinetic Equilibrium in Metal Ion Complexation between Two Crown Ethers","Organic Letters","2002","4","22","3911","","10.1021/ol026780t","","","0.71073","MoKα","","0.1245","0.076","","","0.1283","0.1478","","","","","","1.158","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507495","10.3419","0.001","22.206","0.002","12.4509","0.0016","90.042","0.003","114.478","0.002","89.959","0.002","2602.4","0.5","123","2","293","2","","","","","","","","2","P -1","-P 1","2","tetrakis(bicyclo[2.2.2]octeno)fluorene","","","- C37 H42 -","- C37 H42 -","- C148 H168 -","4","2","","Nishinaga, Tohru; Inoue, Ryota; Matsuura, Akira; Komatsu, Koichi","Radical Cation and Dication of Fluorene Fully Annelated with Bicyclo[2.2.2]octene Units: Importance of the Quinoidal Resonance Structure in the Cationic Fluorene","Organic Letters","2002","4","23","4117","","10.1021/ol026841n","","","0.71073","MoKα","","0.0945","0.0802","","","0.1704","0.1755","","","","","","1.211","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507496","10.5029","0.0008","19.6289","0.0015","20.4634","0.0015","90","","90","","90","","4218.7","0.6","123","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","tetrakis(bicyclo[2.2.2]octeno)fluorene radical cation","","","- C39 H46 Cl10 Sb -","- C39 H46 Cl10 Sb -","- C156 H184 Cl40 Sb4 -","4","1","","Nishinaga, Tohru; Inoue, Ryota; Matsuura, Akira; Komatsu, Koichi","Radical Cation and Dication of Fluorene Fully Annelated with Bicyclo[2.2.2]octene Units: Importance of the Quinoidal Resonance Structure in the Cationic Fluorene","Organic Letters","2002","4","23","4117","","10.1021/ol026841n","","","0.71073","MoKα","","0.0444","0.0392","","","0.0942","0.096","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507497","9.289","0.009","11.89","0.016","12.035","0.006","90","","112.12","0.09","90","","1231","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","chloroformyldimethylanimomethylenpentacarbonylchromium(0)","","- C9 H6 Cl Cr N O6 -","- C9 H6 Cl Cr N O6 -","- C36 H24 Cl4 Cr4 N4 O24 -","4","1","","Barluenga, José; Aznar, Fernando; Gutiérrez, Ignacio; García-Granda, Santiago; Llorca-Baragaño, M Amparo","First intermolecular cyclopropanation of Fischer dialkylaminocarbene complexes. Synthesis of 1-aminocyclopropanecarboxylic acid derivatives.","Organic letters","2002","4","24","4273","4276","10.1021/ol026896p","","","0.71073","MoKα","","0.0573","0.0382","","","0.1074","0.1174","","","","","","1.136","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507498","18.581","0.0008","7.4811","0.0005","22.069","0.001","90","","96.821","0.001","90","","3046","0.3","205","","205","","","","","","","","Local laboratory","4","P 1 21/a 1","-P 2yab","14","","","","- C34 H28 I2 O3 -","- C35 H28 I2 O2 -","- C140 H112 I8 O8 -","4","1","","Höger, Sigurd; Rosselli, Silvia; Ramminger, Anne-Désirée; Enkelmann, Volker","A facile synthesis of large extraannular-functionalized phenyl-ethynyl macrocycles containing m-terphenyl units.","Organic letters","2002","4","24","4269","4272","10.1021/ol026870y","","","0.71073","MoKα","","","0.0566","","","","0.0523","","","","","","0.8488","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508163","23.444","0.005","36.333","0.007","29.094","0.007","90","","105.335","0.005","90","","23900","9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C168 H176 Cl F49 Fe5 N32 O18.5 P8 -","- C169.5 H176 Cl F48 Fe5 N32 O15 P8 -","- C678 H704 Cl4 F192 Fe20 N128 O60 P32 -","4","1","","Ayme, Jean-François; Beves, Jonathon E.; Leigh, David A.; McBurney, Roy T.; Rissanen, Kari; Schultz, David","A synthetic molecular pentafoil knot.","Nature chemistry","2012","4","1","15","20","10.1038/nchem.1193","","","0.6889","synchrotron","","0.2497","0.1382","","","0.35","0.4217","","","","","","1.022","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508164","9.8261","0.0002","11.6102","0.0002","14.6754","0.0003","90","","90","","90","","1674.21","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O -","- C20 H30 O -","- C80 H120 O4 -","4","1","","Mendoza, Abraham; Ishihara, Yoshihiro; Baran, Phil S.","Scalable enantioselective total synthesis of taxanes.","Nature chemistry","2012","4","1","21","25","10.1038/nchem.1196","","","1.54178","CuKα","","0.0438","0.0427","","","0.1119","0.1127","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508165","7.7453","0.0004","10.3009","0.0006","9.7366","0.0005","90","","94.175","0.002","90","","774.76","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C38 H56 O4 -","2","1","","Mendoza, Abraham; Ishihara, Yoshihiro; Baran, Phil S.","Scalable enantioselective total synthesis of taxanes.","Nature chemistry","2012","4","1","21","25","10.1038/nchem.1196","","","1.54178","CuKα","","0.0422","0.0421","","","0.1018","0.1018","","","","","","1.162","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508166","28.2551","0.0005","19.2999","0.0004","21.1845","0.0004","90","","97.2296","0.0007","90","","11460.5","0.4","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H76 B2 F48 O4 Pd4 -","- C120 H76 B2 F48 O4 Pd4 -","- C480 H304 B8 F192 O16 Pd16 -","4","0.5","","Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo","Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks.","Nature chemistry","2012","4","1","52","58","10.1038/nchem.1202","","","0.71075","MoKα","","","0.039","","","","0.0623","","","","","","0.906","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508167","15.3692","0.0012","24.9813","0.0017","18.5227","0.0011","90","","93.871","0.003","90","","7095.4","0.8","123","","123","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Cl8 F24 O4 P4 Pd4 -","- C60 H52 Cl8 F24 O4 P4 Pd4 -","- C240 H208 Cl32 F96 O16 P16 Pd16 -","4","0.5","","Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo","Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks.","Nature chemistry","2012","4","1","52","58","10.1038/nchem.1202","","","0.71075","MoKα","","","0.0533","","","","0.0627","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508168","26.6501","0.0011","11.2467","0.0004","21.7172","0.0008","90","","104.023","0.0011","90","","6315.2","0.4","123","","123","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C63 H61 B4 F16 N3 O6 Pd4 -","- C63 H58 B4 F16 N3 O6 Pd4 -","- C252 H232 B16 F64 N12 O24 Pd16 -","4","0.5","","Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo","Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks.","Nature chemistry","2012","4","1","52","58","10.1038/nchem.1202","","","0.71075","MoKα","","","0.0364","","","","0.0429","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508169","7.8918","0.0004","24.8188","0.0013","29.1008","0.0016","90","","93.2773","0.0014","90","","5690.5","0.5","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H58 B2 F8 N2 O4 Pd4 -","- C62 H58 B2 F8 N2 O4 Pd4 -","- C248 H232 B8 F32 N8 O16 Pd16 -","4","1","","Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo","Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks.","Nature chemistry","2012","4","1","52","58","10.1038/nchem.1202","","","0.71075","MoKα","","","0.0461","","","","0.0722","","","","","","0.823","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508170","12.4175","0.0018","12.4175","0.0018","66.702","0.013","90","","90","","120","","8907","3","120","2","120","2","","","","","","","","6","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C112.5 H116 Cl4 N14 O25.5 Zn2 -","- C112.5 H102 Cl4 N14 O25.5 Zn2 -","- C337.5 H306 Cl12 N42 O76.5 Zn6 -","3","0.5","","Howson, Suzanne E.; Bolhuis, Albert; Brabec, Viktor; Clarkson, Guy J.; Malina, Jaroslav; Rodger, Alison; Scott, Peter","Optically pure, water-stable metallo-helical 'flexicate' assemblies with antibiotic activity.","Nature chemistry","2012","4","1","31","36","10.1038/nchem.1206","","","0.71073","MoKα","","0.1128","0.0828","","","0.2166","0.2495","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1508171","10.305","0.002","11.201","0.003","11.779","0.003","63.547","0.004","65.449","0.004","66.927","0.004","1070.9","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 F3 N O3 -","- C22 H26 F3 N O3 -","- C44 H52 F6 N2 O6 -","2","1","","Montavon, Timothy J.; Li, Jing; Cabrera-Pardo, Jaime R; Mrksich, Milan; Kozmin, Sergey A.","Three-component reaction discovery enabled by mass spectrometry of self-assembled monolayers.","Nature chemistry","2012","4","1","45","51","10.1038/nchem.1212","","","0.71073","MoKα","","0.0981","0.0586","","","0.1402","0.1594","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508172","22.205","0.003","22.205","0.0017","12.509","0.0011","90","0.002","90","0.002","120","0.005","5341.4","1","173","2","173","2","","","","","","","MAT ETH Zurich","3","P -3","-P 3","147","","","","- C146 H118 O11 -","- C146.001 H78 O10.986 -","- C292.002 H156 O21.972 -","2","0.333333","","Kissel, Patrick; Erni, Rolf; Schweizer, W. Bernd; Rossell, Marta D.; King, Benjamin T.; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji","A two-dimensional polymer prepared by organic synthesis.","Nature chemistry","2012","4","4","287","291","10.1038/nchem.1265","","","0.71073","MoKα","","0.1466","0.1362","","","0.3889","0.3989","","","","","","3.137","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508173","12.5392","0.0004","21.844","0.0005","22.5292","0.0006","61.234","0.002","88.2978","0.0012","89.8086","0.0014","5406.5","0.3","100","","100","","","","","","","","MAT ETH Zurich","4","P -1","-P 1","2","","","","- C144 H110 Cl2 O6 -","- C144 H110 Cl2 O6 -","- C288 H220 Cl4 O12 -","2","1","","Kissel, Patrick; Erni, Rolf; Schweizer, W. Bernd; Rossell, Marta D.; King, Benjamin T.; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji","A two-dimensional polymer prepared by organic synthesis.","Nature chemistry","2012","4","4","287","291","10.1038/nchem.1265","","","0.71073","MoKα","","0.185","0.0949","","","0.2042","0.2533","","","","","","1.11","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508174","7.995","0.005","12.695","0.005","14.1","0.005","90","0.005","103.65","0.005","90","0.005","1390.7","1.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","6MesDACCF3Styrene","","","- C33 H35 F3 N2 O2 -","- C33 H35 F3 N2 O2 -","- C66 H70 F6 N4 O4 -","2","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71069","MoKα","","0.0961","0.0605","","","0.1422","0.1762","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508175","16.103","0.0007","10.495","0.0005","17.623","0.0007","90","","101.349","0.003","90","","2920.1","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6MesDACDiethylMaleate","","","- C32 H40 N2 O6 -","- C32 H40 N2 O6 -","- C128 H160 N8 O24 -","4","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71073","MoKα","","0.1588","0.0617","","","0.1246","0.1683","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508176","10.823","0.0002","16.686","0.0003","34.964","0.0005","90","","94.576","0.0007","90","","6294.11","0.19","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6MesDACStilbene","","","- C38 H40 N2 O2 -","- C38 H40 N2 O2 -","- C304 H320 N16 O16 -","8","2","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71073","MoKα","","0.1126","0.0577","","","0.1308","0.168","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508177","15.343","0.0002","10.755","0.0002","15.6115","0.0003","90","","101.147","0.001","90","","2527.52","0.08","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6MesDACMaleonitrile","","","- C28 H30 N4 O2 -","- C28 H30 N4 O2 -","- C112 H120 N16 O8 -","4","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71073","MoKα","","0.0982","0.0561","","","0.1159","0.1402","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508178","12.279","0.0002","12.381","0.0001","18.148","0.0002","76.148","0.0008","82.469","0.0007","76.342","0.0007","2594.85","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","6MesDACNorbornene","","","- C31 H38 N2 O2 -","- C31 H38 N2 O2 -","- C124 H152 N8 O8 -","4","2","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71073","MoKα","","0.1189","0.0702","","","0.1511","0.1926","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508179","8.1786","0.0009","10.2957","0.0011","14.8635","0.0016","85.453","0.002","81.396","0.002","80.662","0.002","1219.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","DACMethylvinylketone","","","- C28 H34 N2 O3 -","- C28 H34 N2 O3 -","- C56 H68 N4 O6 -","2","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71075","MoKα","","0.0759","0.0528","","","0.1294","0.146","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508181","15.9318","0.0006","14.2492","0.0005","24.1259","0.0009","90","","93.8","0.001","90","","5464.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6MesDACNO2Benzaldehyde","","","- C31 H33 N3 O5 -","- C31 H33 N3 O5 -","- C248 H264 N24 O40 -","8","2","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71075","MoKα","","0.0835","0.0544","","","0.1244","0.1415","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508183","15.3164","0.0002","15.3164","0.0002","11.091","0.0003","90","","90","","90","","2601.86","0.09","171","2","171","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C42 H54 N4 O2 Si4 U -","- C42 H54 N4 O2 Si4 U -","- C84 H108 N8 O4 Si8 U2 -","2","0.25","","Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B.","Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation.","Nature chemistry","2012","4","3","221","227","10.1038/nchem.1270","","","0.71073","MoKα","","0.0337","0.0229","","","0.0614","0.0661","","","","","","1.185","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508184","16.2362","0.0015","18.1288","0.0015","26.4879","0.0019","90","","101.144","0.009","90","","7649.5","1.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H82 N8 O4 Si2 U2 -","- C69 H82 N8 O4 Si2 U2 -","- C276 H328 N32 O16 Si8 U8 -","4","1","","Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B.","Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation.","Nature chemistry","2012","4","3","221","227","10.1038/nchem.1270","","","0.7107","MoKα","","0.0631","0.0453","","","0.1136","0.1285","","","","","","0.784","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508185","15.465","0.0003","24.4171","0.0006","20.7529","0.0005","90","","101.073","0.002","90","","7690.6","0.3","171","2","171","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H83 N8 O4 Si2 U2 -","- C79 H83 N8 O4 Si2 U2 -","- C316 H332 N32 O16 Si8 U8 -","4","1","","Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B.","Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation.","Nature chemistry","2012","4","3","221","227","10.1038/nchem.1270","","","0.71073","MoKα","","0.0914","0.0493","","","0.1049","0.1275","","","","","","1.124","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508186","14.1406","0.0006","14.7186","0.0008","18.347","0.0011","86.724","0.005","77.931","0.004","77.425","0.004","3644.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C65 H90 N8 O12 Si U3 -","- C65 H90 N8 O12 Si U3 -","- C130 H180 N16 O24 Si2 U6 -","2","1","","Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B.","Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation.","Nature chemistry","2012","4","3","221","227","10.1038/nchem.1270","","","1.5418","CuKα","","0.0625","0.0439","","","0.0958","0.1049","","","","","","1.002","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508187","39.346","0.005","39.346","0.005","39.346","0.005","90","","90","","90","","60912","13","300","2","300","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C528 H408 F144 N72 O24 P24 Pd12 -","- C528 H408 F144 N72 O24 P24 Pd12 -","- C1056 H816 F288 N144 O48 P48 Pd24 -","2","0.0208333","","Sun, Qing-Fu; Sato, Sota; Fujita, Makoto","An M~18~L~24~ stellated cuboctahedron through post-stellation of an M~12~L~24~ core","Nature Chemistry","2012","4","4","330","333","10.1038/nchem.1285","","","0.7","synchrotron","","0.1211","0.1194","","","0.3694","0.3715","","","","","","1.822","","","","has coordinates","218751","2020-10-21","18:00:00",""
"1508188","53.334","0.006","53.334","0.006","53.334","0.006","90","","90","","90","","151709","3","293","2","293","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","","","- C552 H408 N90 O92 Pd18 -","- C552 H408 N90 O92 Pd18 -","- C2208 H1632 N360 O368 Pd72 -","4","0.0416667","","Sun, Qing-Fu; Sato, Sota; Fujita, Makoto","An M~18~L~24~ stellated cuboctahedron through post-stellation of an M~12~L~24~ core","Nature Chemistry","2012","4","4","330","333","10.1038/nchem.1285","","","1","synchrotron","","0.0994","0.0882","","","0.2761","0.2887","","","","","","1.192","","","","has coordinates","218751","2020-10-21","18:00:00",""
"1508189","32.638","0.004","18.597","0.002","16.904","0.002","90","","104.878","0.0016","90","","9916","2","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C56 H90 Ge -","- C56 H90 Ge -","- C448 H720 Ge8 -","8","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0384","0.0339","","","0.0878","0.091","","","","","","1.049","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508190","25.3767","0.0002","10.9823","0.0001","18.0763","0.0002","90","","90.2057","0.0004","90","","5037.73","0.08","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H90 Ge O -","- C56 H90 Ge O -","- C224 H360 Ge4 O4 -","4","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0525","0.0328","","","0.0902","0.0961","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508191","12.9912","0.0013","18.9629","0.0019","20.688","0.002","90","","102.064","0.0012","90","","4983.9","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H92 Ge O -","- C56 H90 Ge O -","- C224 H360 Ge4 O4 -","4","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0442","0.0384","","","0.0989","0.1055","","","","","","1.112","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508192","13.71","0.0019","17.896","0.002","21.842","0.003","90","","107.56","0.0016","90","","5109.3","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H94 Ge O -","- C57 H94 Ge O -","- C228 H376 Ge4 O4 -","4","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0638","0.0528","","","0.1445","0.1558","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508193","13.0454","0.0013","18.9843","0.0019","20.817","0.002","90","","102.151","0.0012","90","","5040","0.9","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H92 Ge O2 -","- C56 H92 Ge O2 -","- C224 H368 Ge4 O8 -","4","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0349","0.0313","","","0.0768","0.0792","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508194","38.9676","0.0003","38.9676","0.0003","14.2661","0.0001","90","","90","","90","","21662.7","0.3","90","","90","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C60.25 H99 Ge O2 -","- C60.25 H99 Ge O2 -","- C964 H1584 Ge16 O32 -","16","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0587","0.0376","","","0.0901","0.0999","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508195","14.521","0.002","22.215","0.003","17.36","0.003","90","","97.761","0.002","90","","5548.8","1.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H98 Ge O Si -","- C62 H97 Ge O Si -","- C248 H388 Ge4 O4 Si4 -","4","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0955","0.0726","","","0.1626","0.177","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508196","10.0743","0.0018","9.9792","0.0017","24.924","0.005","90","","90.988","0.003","90","","2505.3","0.8","100","","100","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C57 H90 Ge O3 -","- C57 H90 Ge O3 -","- C114 H180 Ge2 O6 -","2","0.5","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0287","0.0275","","","0.068","0.0689","","","","","","1.068","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508197","10.736","0.002","13.918","0.003","17.475","0.003","67.825","0.004","89.276","0.004","73.543","0.004","2305.9","0.8","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H50 N O2 P -","- C62 H50 N O2 P -","- C124 H100 N2 O4 P2 -","2","1","","Ohmatsu, Kohsuke; Ito, Mitsunori; Kunieda, Tomoatsu; Ooi, Takashi","Ion-paired chiral ligands for asymmetric palladium catalysis.","Nature chemistry","2012","4","6","473","477","10.1038/nchem.1311","","","0.71073","MoKα","","0.0887","0.0645","","","0.169","0.1896","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508198","34.9972","0.0018","20.861","0.001","18.0161","0.001","90","","108.602","0.003","90","","12466","1.1","150","2","150","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C14 H72 Cl3 Co2 N7 Na4 O75 Se2 W19 -","- C14 Cl Co2 N8 Na3.4 O84.3 Se2 W19 -","- C56 Cl4 Co8 N32 Na13.6 O337.2 Se8 W76 -","4","0.5","","Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy","Integrated 3D-printed reactionware for chemical synthesis and analysis.","Nature chemistry","2012","4","5","349","354","10.1038/nchem.1313","","","0.71073","MoKα","","0.08","0.0368","","","0.0714","0.0779","","","","","","0.866","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508199","36.022","0.003","20.6218","0.0013","17.8132","0.0013","90","","110.322","0.005","90","","12408.7","1.6","150","2","150","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C16 H80 Cl3 Mn2 N8 Na3 O75 Se2 W19 -","- C12 Cl1.5 Mn2 N6 O71.7 Se2 W19 -","- C48 Cl6 Mn8 N24 O286.8 Se8 W76 -","4","0.5","","Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy","Integrated 3D-printed reactionware for chemical synthesis and analysis.","Nature chemistry","2012","4","5","349","354","10.1038/nchem.1313","","","0.71073","MoKα","","0.082","0.0515","","","0.137","0.1713","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508200","9.0792","0.0003","13.8548","0.0004","13.5655","0.0004","90","","101.341","0.003","90","","1673.09","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Br N2 O -","- C21 H17 Br N2 O -","- C84 H68 Br4 N8 O4 -","4","1","","Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy","Integrated 3D-printed reactionware for chemical synthesis and analysis.","Nature chemistry","2012","4","5","349","354","10.1038/nchem.1313","","","0.71073","MoKα","","0.0449","0.0316","","","0.0779","0.0834","","","","","","0.962","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508201","18.9372","0.0019","27.548","0.003","18.7708","0.0018","90","","100.644","0.001","90","","9623.9","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CB-SO3","CB-SO3","","- C68 H92.24 F21 N16 O46.62 S4 -","- C15.9995 H19.0209 F4.94047 N3.76471 O10.9699 S0.941176 -","- C271.992 H323.356 F83.988 N64 O186.488 S16 -","17","4.25","","Ma, Da; Hettiarachchi, Gaya; Nguyen, Duc; Zhang, Ben; Wittenberg, James B.; Zavalij, Peter Y.; Briken, Volker; Isaacs, Lyle","Acyclic cucurbit[n]uril molecular containers enhance the solubility and bioactivity of poorly soluble pharmaceuticals.","Nature chemistry","2012","4","6","503","510","10.1038/nchem.1326","","","0.71073","MoKα","","0.081","0.0713","","","0.1503","0.1537","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508202","19.457","0.002","23.652","0.002","29.876","0.003","80.705","0.001","87.973","0.001","75.36","0.001","13128","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Na4[TFA@CB].10TFA.12.5H2O","Na4[TFA@CB].10TFA.12.5H2O","","- C42 H52 F16.5 N8 Na2 O29.25 S2 -","- C64 H69 F3 N16 Na3.75 O28.9515 S4 -","- C256 H276 F12 N64 Na15 O115.806 S16 -","4","2","","Ma, Da; Hettiarachchi, Gaya; Nguyen, Duc; Zhang, Ben; Wittenberg, James B.; Zavalij, Peter Y.; Briken, Volker; Isaacs, Lyle","Acyclic cucurbit[n]uril molecular containers enhance the solubility and bioactivity of poorly soluble pharmaceuticals.","Nature chemistry","2012","4","6","503","510","10.1038/nchem.1326","","","0.71073","MoKα","","0.1235","0.108","","","0.2313","0.2375","","","","","","1","","","","has coordinates,has disorder","282761","2023-04-20","06:45:55",""
"1508203","11.4778","0.0002","16.5221","0.0003","27.708","0.0004","90","","90","","90","","5254.47","0.15","100.15","","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H62 Au2 Cl2 P2 -","- C60 H62 Au2 Cl2 P2 -","- C240 H248 Au8 Cl8 P8 -","4","1","","Felix, Ryan J.; Weber, Dieter; Gutierrez, Osvaldo; Tantillo, Dean J.; Gagné, Michel R","A gold-catalysed enantioselective Cope rearrangement of achiral 1,5-dienes.","Nature chemistry","2012","4","5","405","409","10.1038/nchem.1327","","","1.54184","CuKα","","0.0252","0.0247","","","0.0621","0.0625","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508204","10.569","0.002","14.846","0.003","15.667","0.003","79.505","0.002","77.528","0.002","72.252","0.002","2268.1","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H65 N O14 -","- C43 H65 N O14 -","- C86 H130 N2 O28 -","2","1","","Vukotic, V. Nicholas; Harris, Kristopher J.; Zhu, Kelong; Schurko, Robert W.; Loeb, Stephen J.","Metal-organic frameworks with dynamic interlocked components.","Nature chemistry","2012","4","6","456","460","10.1038/nchem.1354","","","0.71073","MoKα","","0.1234","0.1","","","0.2881","0.3162","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508205","23.127","0.004","23.127","0.004","19.723","0.003","90","","90","","120","","9136","3","148","2","148","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C35 H55 Cu2 N O19 -","- C35 H47.02 Cu2 N O16 -","- C315 H423.18 Cu18 N9 O144 -","9","0.5","","Vukotic, V. Nicholas; Harris, Kristopher J.; Zhu, Kelong; Schurko, Robert W.; Loeb, Stephen J.","Metal-organic frameworks with dynamic interlocked components.","Nature chemistry","2012","4","6","456","460","10.1038/nchem.1354","","","0.71073","MoKα","","0.2182","0.1994","","","0.5549","0.5617","","","","","","2.363","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508206","15.0826","0.0003","15.0937","0.0003","16.1407","0.0004","62.563","0.001","78.977","0.001","62.693","0.001","2896.79","0.12","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C43 H82 Cl2 F6 Ir2 N4 O6 P4 S2 -","- C43 H82 Cl2 F6 Ir2 N4 O6 P4 S2 -","- C86 H164 Cl4 F12 Ir4 N8 O12 P8 S4 -","2","1","","Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven","Closed-shell and open-shell square-planar iridium nitrido complexes.","Nature chemistry","2012","4","7","552","558","10.1038/nchem.1368","","","0.71073","MoKα","","0.057","0.0358","","","0.0828","0.0929","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508207","11.5257","0.001","13.0336","0.0011","17.1075","0.0014","79.173","0.002","89.524","0.002","68.544","0.002","2344.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H80 Ir2 N4 P4 -","- C40 H80 Ir2 N4 P4 -","- C80 H160 Ir4 N8 P8 -","2","1","","Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven","Closed-shell and open-shell square-planar iridium nitrido complexes.","Nature chemistry","2012","4","7","552","558","10.1038/nchem.1368","","","0.71073","MoKα","","0.036","0.0249","","","0.0501","0.0539","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508208","7.844","0.0006","26.903","0.002","11.8151","0.0009","90","","106.64","0.002","90","","2388.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 Ir N3 P2 -","- C20 H40 Ir N3 P2 -","- C80 H160 Ir4 N12 P8 -","4","1","","Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven","Closed-shell and open-shell square-planar iridium nitrido complexes.","Nature chemistry","2012","4","7","552","558","10.1038/nchem.1368","","","0.71073","MoKα","","0.0327","0.028","","","0.0552","0.0566","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508209","8.7118","0.0003","9.6694","0.0003","16.1522","0.0006","91.546","0.002","96.857","0.002","116.772","0.001","1201.07","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H31 B2 Fe N O3 Si2 -","- C19 H31 B2 Fe N O3 Si2 -","- C38 H62 B4 Fe2 N2 O6 Si4 -","2","1","","Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Radacki, Krzysztof; Damme, Alexander","Controlled homocatenation of boron on a transition metal.","Nature chemistry","2012","4","7","563","567","10.1038/nchem.1379","","","0.71073","MoKα","","0.0537","0.0351","","","0.0761","0.0825","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508210","27.394","0.004","9.3733","0.0013","21.725","0.003","90","","126.076","0.004","90","","4508.6","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H62 B4 Fe2 N2 O4 Si4 -","- C36 H62 B4 Fe2 N2 O4 Si4 -","- C144 H248 B16 Fe8 N8 O16 Si16 -","4","0.5","","Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Radacki, Krzysztof; Damme, Alexander","Controlled homocatenation of boron on a transition metal.","Nature chemistry","2012","4","7","563","567","10.1038/nchem.1379","","","0.71073","MoKα","","0.0358","0.0274","","","0.0667","0.0711","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508211","9.1423","0.0005","13.2797","0.0008","18.333","0.0011","81.242","0.002","86.113","0.002","78.661","0.002","2155.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H62 B4 Fe N2 O2 Si4 -","- C34 H62 B4 Fe N2 O2 Si4 -","- C68 H124 B8 Fe2 N4 O4 Si8 -","2","1","","Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Radacki, Krzysztof; Damme, Alexander","Controlled homocatenation of boron on a transition metal.","Nature chemistry","2012","4","7","563","567","10.1038/nchem.1379","","","0.71073","MoKα","","0.0701","0.0575","","","0.1378","0.1421","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508212","6.292","0.004","7.673","0.004","16.424","0.008","98.66","0.04","91.16","0.04","95.71","0.04","779.5","0.8","123","","123","","","","","","","","","2","P -1","-P 1","2","","","","- C26 H16 -","- C26 H16 -","- C52 H32 -","2","1","","Watanabe, Motonori; Chang, Yuan Jay; Liu, Shun-Wei; Chao, Ting-Han; Goto, Kenta; Islam, Md Minarul; Yuan, Chih-Hsien; Tao, Yu-Tai; Shinmyozu, Teruo; Chow, Tahsin J.","The synthesis, crystal structure and charge-transport properties of hexacene.","Nature chemistry","2012","4","7","574","578","10.1038/nchem.1381","","","1.54187","CuKα","","","0.094","","","","0.1943","","","","","","0.633","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508213","6.306","0.006","7.697","0.01","16.48","0.016","98.77","0.04","91.25","0.03","95.81","0.05","785.9","1.5","123","","123","","","","","","","","","2","P -1","-P 1","2","","","","- C26 H16 -","- C26 H16 -","- C52 H32 -","2","1","","Watanabe, Motonori; Chang, Yuan Jay; Liu, Shun-Wei; Chao, Ting-Han; Goto, Kenta; Islam, Md Minarul; Yuan, Chih-Hsien; Tao, Yu-Tai; Shinmyozu, Teruo; Chow, Tahsin J.","The synthesis, crystal structure and charge-transport properties of hexacene.","Nature chemistry","2012","4","7","574","578","10.1038/nchem.1381","","","0.71075","MoKα","","","0.1517","","","","0.3608","","","","","","1.908","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508233","8.2757","0.0011","16.992","0.002","9.7999","0.0013","90","","93.804","0.002","90","","1375","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Cl N3 O2 S -","- C11 H16 Cl N3 O2 S -","- C44 H64 Cl4 N12 O8 S4 -","4","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.082","0.0571","","","0.1426","0.1609","","","","","","1.039","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508234","5.9123","0.0003","15.7609","0.0007","17.3746","0.0007","90","","90","","90","","1619.02","0.13","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O3 S -","- C17 H24 O3 S -","- C68 H96 O12 S4 -","4","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.0291","0.0283","","","0.0764","0.0775","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508235","8.0945","0.0009","9.5301","0.001","9.8131","0.0011","90","","96.014","0.001","90","","752.83","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C30 H42 N2 O4 S2 -","2","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.0409","0.0391","","","0.101","0.1032","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508236","9.8222","0.001","6.1623","0.0006","17.139","0.0017","90","","100.004","0.002","90","","1021.61","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H32 O3 S -","- C22 H32 O3 S -","- C44 H64 O6 S2 -","2","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.0364","0.0331","","","0.0841","0.0864","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508237","8.724","0.003","11.713","0.004","22.823","0.007","90","","90","","90","","2332.2","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N O2 S -","- C27 H35 N O2 S -","- C108 H140 N4 O8 S4 -","4","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.1016","0.0715","","","0.1643","0.1882","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508238","7.4983","0.0003","9.7183","0.0003","32.9845","0.0012","90","","90","","90","","2403.6","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N O2 S -","- C27 H35 N O2 S -","- C108 H140 N4 O8 S4 -","4","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","1.54178","CuKα","","0.0356","0.0353","","","0.0897","0.0901","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508239","14.2651","0.0004","15.6815","0.0005","31.5761","0.001","90","","97.149","0.003","90","","7008.6","0.4","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H109 B O4 U2 -","- C76 H109 B O4 U2 -","- C304 H436 B4 O16 U8 -","4","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0571","0.0416","","","0.0675","0.0717","","","","","","1.201","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508240","14.0326","0.0003","15.8676","0.0003","31.7835","0.0005","90","","95.86","0.002","90","","7040","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H113 B O4 U2 -","- C78 H113 B O4 U2 -","- C312 H452 B4 O16 U8 -","4","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","1.54178","CuKα","","0.0478","0.0461","","","0.1247","0.1268","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508241","24.882","0.0001","10.719","0.0001","25.2792","0.0001","90","","90","","90","","6742.22","0.07","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C76 H107 B O4 U2 -","- C76 H107 B O4 U2 -","- C304 H428 B4 O16 U8 -","4","1","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","1.54178","CuKα","","0.0279","0.0265","","","0.0635","0.0646","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508242","14.2409","0.0004","15.9949","0.0004","31.9248","0.0009","90","","97.411","0.003","90","","7211.1","0.3","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H113 B O4 U2 -","- C81 H113 B O4 U2 -","- C324 H452 B4 O16 U8 -","4","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.066","0.0389","","","0.0505","0.0556","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508243","25.959","0.002","26.8806","0.0011","23.248","0.002","90","","117.573","0.011","90","","14380","2","171","2","171","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C80 H108 O4 U2 -","- C80 H108 O4 U2 -","- C640 H864 O32 U16 -","8","1","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0914","0.0386","","","0.0735","0.0957","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508244","10.3378","0.0003","17.6019","0.0005","13.7838","0.0005","90","","107.967","0.004","90","","2385.86","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H78 N4 Si8 U2 -","- C30 H78 N4 Si8 U2 -","- C60 H156 N8 Si16 U4 -","2","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0237","0.019","","","0.0459","0.0497","","","","","","0.718","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508245","9.9492","0.0003","16.7596","0.0004","31.5821","0.001","90","","94.515","0.003","90","","5249.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H84 N2 O2 Si4 U2 -","- C46 H84 N2 O2 Si4 U2 -","- C184 H336 N8 O8 Si16 U8 -","4","1","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0344","0.0248","","","0.0444","0.0468","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508246","13.9662","0.0005","17.3367","0.0006","26.0453","0.0008","87.379","0.003","78.703","0.003","68.266","0.003","5742","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H92 O4 U2 -","- C63 H92 O4 U2 -","- C252 H368 O16 U8 -","4","2","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","1.54184","CuKα","","0.0735","0.0462","","","0.1039","0.1199","","","","","","0.993","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508247","22.026","0.0005","17.4845","0.0005","28.1385","0.0008","90","","112.026","0.002","90","","10045.6","0.5","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H80 N4 Si8 U2 -","- C31 H80 N4 Si8 U2 -","- C248 H640 N32 Si64 U16 -","8","2","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.1158","0.0601","","","0.0949","0.1156","","","","","","1.16","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508248","25.9066","0.0018","13.8525","0.0006","17.9287","0.0012","90","","108.504","0.007","90","","6101.5","0.7","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H94 O4 U2 -","- C68 H94 O4 U2 -","- C272 H376 O16 U8 -","4","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0671","0.0308","","","0.0573","0.0696","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508249","14.8957","0.0001","14.8957","0.0001","12.143","0.0002","90","","90","","90","","2694.31","0.05","170","2","170","2","","","","","","","","5","P 42","P 4c","77","","","","- C36 H82 N4 Si8 U2 -","- C36 H82 N4 Si8 U2 -","- C72 H164 N8 Si16 U4 -","2","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0377","0.0278","","","0.0509","0.0541","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508250","11.8917","0.0003","15.9353","0.0005","26.8697","0.0006","90","","90","","90","","5091.7","0.2","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H71 Cr O7 U -","- C52 H71 Cr O7 U -","- C208 H284 Cr4 O28 U4 -","4","1","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0333","0.0279","","","0.0495","0.0508","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509097","3.1945","","3.1945","","5.1806","","90","","90","","120","","45.784","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Silver magnesium (0.05/1.95)","","- Ag0.05 Mg1.95 -","- Ag0.052 Mg1.948 -","- Ag0.052 Mg1.948 -","1","0.0416667","","Hardie, D.; Parkins, R.N.","Lattice spacing relationships in magnesium solid solutions","Philosophical Magazine, Serie 6 (1901-1925)","1959","4","","815","825","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509131","8.4923","0.0003","14.1476","0.0005","12.0094","0.0004","90","","97.677","0.002","90","","1429.94","0.09","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 F6 O P -","- C12 H21 F6 O P -","- C48 H84 F24 O4 P4 -","4","1","","Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark","Extreme oxatriquinanes and a record C-O bond length.","Nature chemistry","2012","4","12","1018","1023","10.1038/nchem.1502","","","0.71073","MoKα","","0.0474","0.0424","","","0.1272","0.1311","","","","","","1.058","","","","has coordinates,has disorder","301775","2025-08-18","14:03:06",""
"1509132","8.8102","0.001","15.9354","0.0017","14.1905","0.0015","90","","92.221","0.002","90","","1990.8","0.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 F6 O P -","- C18 H33 F6 O P -","- C72 H132 F24 O4 P4 -","4","1","","Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark","Extreme oxatriquinanes and a record C-O bond length.","Nature chemistry","2012","4","12","1018","1023","10.1038/nchem.1502","","","0.71073","MoKα","","0.0507","0.0468","","","0.135","0.1374","","","","","","1.141","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1509133","10.2958","0.0019","10.2958","0.0019","32.34","0.006","90","","90","","120","","2968.9","1","90","2","90","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","1,4,7- tri-iso-propyloxatriquinanium Hexafluorophosphate","","- C18 H33 F6 O P -","- C18 H33 F6 O P -","- C108 H198 F36 O6 P6 -","6","0.333333","","Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark","Extreme oxatriquinanes and a record C-O bond length.","Nature chemistry","2012","4","12","1018","1023","10.1038/nchem.1502","","","0.71073","MoKα","","0.0194","0.0191","","","0.0564","0.0568","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1509134","9.4366","0.0003","13.2814","0.0004","14.9075","0.0004","92.8458","0.0004","90.6035","0.0004","96.3976","0.0004","1854.21","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 B11 Cl11 O -","- C22 H40 B11 Cl11 O -","- C44 H80 B22 Cl22 O2 -","2","1","","Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark","Extreme oxatriquinanes and a record C-O bond length.","Nature chemistry","2012","4","12","1018","1023","10.1038/nchem.1502","","","0.71073","MoKα","","0.0226","0.0199","","","0.0526","0.0542","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509222","2.8634","","2.8634","","11.2507","","90","","90","","120","","79.887","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag Al O2 -","- Ag Al O2 -","- Ag2 Al2 O4 -","2","0.0833333","","Kandpal, H.C.; Seshadri, R.","First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions","Solid State Sciences","2002","4","","1045","1052","10.1016/S1293-2558(02)01363-8","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509315","8.467","","8.467","","12.745","","90","","90","","90","","913.69","","","","","","","","","","","","","4","I -4 c 2","I -4 -2c","120","","(Ag (Xe F2)2) (P F6)","","- Ag F10 P Xe2 -","- Ag F10 P Xe2 -","- Ag4 F40 P4 Xe8 -","4","0.25","","Ito, Y.; Hagiwara, R.; Tamada, O.; Matsumoto, K.","Synthetic, structural and thermal studies of Ag(I) - Xe F2 complex salts","Solid State Sciences","2002","4","","1465","1469","10.1016/S1293-2558(02)00037-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509335","12.085","","12.684","","6.498","","90","","114.535","","90","","906.117","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ag Na (Fe Mn2 (P O4)3)","","- Ag Fe Mn2 Na O12 P3 -","- Ag Fe Mn2 Na O12 P3 -","- Ag4 Fe4 Mn8 Na4 O48 P12 -","4","0.5","","Durio, C.; Pico, C.; Chouaibi, N.; Daidouh, A.; Ouassini, A.; Veiga, M.L.","Structural and electrical study of the alluaudites (Ag1-x Nax)2 Fe Mn2 (P O4)3 (x = 0, 0.5 and 1)","Solid State Sciences","2002","4","","541","548","10.1016/S1293-2558(02)01289-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509345","3.0306","","3.0306","","12.3692","","90","","90","","120","","98.385","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag Ga O2 -","- Ag Ga O2 -","- Ag2 Ga2 O4 -","2","0.0833333","","Seshadri, R.; Kandpal, H.C.","First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions","Solid State Sciences","2002","4","","1045","1052","10.1016/S1293-2558(02)01363-8","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509396","3.353","","3.353","","12.694","","90","","90","","120","","123.594","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag In O2 -","- Ag In O2 -","- Ag2 In2 O4 -","2","0.0833333","","Seshadri, R.; Kandpal, H.C.","First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions","Solid State Sciences","2002","4","","1045","1052","10.1016/S1293-2558(02)01363-8","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509485","3.064","","3.064","","18.671","","90","","90","","120","","151.801","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ag (Ni0.695 Sb0.305) O2","","- Ag Ni0.695 O2 Sb0.305 -","- Ag Ni0.695 O2 Sb0.305 -","- Ag3 Ni2.085 O6 Sb0.915 -","3","0.0833333","","Jayaraj, M.K.; Tate, J.; Nagarajan, R.; Sleight, A.W.; Uma, S.","New Cu M2/3 Sb1/3 O2 and Ag M2/3 Sb1/3 O2 compounds with the delafossite structure","Solid State Sciences","2002","4","","787","792","10.1016/S1293-2558(02)01295-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509494","3.1075","","3.1075","","18.721","","90","","90","","120","","156.56","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ag (Zn0.706 Sb0.294) O2","","- Ag O2 Sb0.294 Zn0.706 -","- Ag O2 Sb0.294 Zn0.706 -","- Ag3 O6 Sb0.882 Zn2.118 -","3","0.0833333","","Tate, J.; Uma, S.; Sleight, A.W.; Jayaraj, M.K.; Nagarajan, R.","New Cu M2/3 Sb1/3 O2 and Ag M2/3 Sb1/3 O2 compounds with the delafossite structure","Solid State Sciences","2002","4","","787","792","10.1016/S1293-2558(02)01295-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509495","3.2306","","3.2306","","12.3771","","90","","90","","120","","111.871","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ag Sc O2","","- Ag O2 Sc -","- Ag O2 Sc -","- Ag2 O4 Sc2 -","2","0.0833333","","Kandpal, H.C.; Seshadri, R.","First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions","Solid State Sciences","2002","4","","1045","1052","10.1016/S1293-2558(02)01363-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509496","3.5177","","3.5177","","12.4425","","90","","90","","120","","133.339","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ag Y O2","","- Ag O2 Y -","- Ag O2 Y -","- Ag2 O4 Y2 -","2","0.0833333","","Kandpal, H.C.; Seshadri, R.","First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions","Solid State Sciences","2002","4","","1045","1052","10.1016/S1293-2558(02)01363-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509689","6.082","","8.715","","6.556","","90","","93.69","","90","","346.778","","","","","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","Ag2 Pb O2","","- Ag2 O2 Pb -","- Ag2 O2 Pb -","- Ag8 O8 Pb4 -","4","0.5","","Evers, L.; Bystroem, A.","The crystal structures of Ag2 Pb O2 and Ag5 Pb2 O6","Acta Chemica Scandinavica (1-27,1973-42,1988)","1950","4","","613","627","10.3891/acta.chem.scand.04-0613","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509925","5.939","","5.939","","6.428","","90","","90","","120","","196.351","","","","","","","","","","","","","3","P 3 1 m","P 3 -2","157","","Ag5 Pb2 O6","","- Ag5 O6 Pb2 -","- Ag5 O6 Pb2 -","- Ag5 O6 Pb2 -","1","0.166667","","Evers, L.; Bystroem, A.","The Crystal Structures of Ag2 Pb O2 and Ag5 Pb2 O6","Acta Chemica Scandinavica (1-27,1973-42,1988)","1950","4","","613","627","10.3891/acta.chem.scand.04-0613","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510052","19.24","","13.771","","11.868","","90","","113.28","","90","","2888.47","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Ag3.38 Al3.7 Si8.3 O24","","- Ag3.38 Al3.7 O24 Si8.3 -","- Ag3.376 Al3.72 O24 Si8.28 -","- Ag13.504 Al14.88 O96 Si33.12 -","4","0.5","","Randaccio, L.; Nardin, G.; Mezzetti, A.; Calligaris, M.","Cation sites and framework deformations in dehydrated chabazites. Crystal structure of a fully silver-exchanged chabazite.","Zeolites","1984","4","","323","328","10.1016/0144-2449(84)90007-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510152","3.0427","","3.0427","","12.4836","","90","","90","","120","","100.09","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au Ga O2 -","- Au Ga O2 -","- Au2 Ga2 O4 -","2","0.0833333","","Seshadri, R.; Kandpal, H.C.","First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions","Solid State Sciences","2002","4","","1045","1052","10.1016/S1293-2558(02)01363-8","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510192","3.3654","","3.3654","","12.6394","","90","","90","","120","","123.974","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au In O2 -","- Au In O2 -","- Au2 In2 O4 -","2","0.0833333","","Seshadri, R.; Kandpal, H.C.","First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions","Solid State Sciences","2002","4","","1045","1052","10.1016/S1293-2558(02)01363-8","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510262","3.2471","","3.2471","","12.3784","","90","","90","","120","","113.028","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Au Sc O2","","- Au O2 Sc -","- Au O2 Sc -","- Au2 O4 Sc2 -","2","0.0833333","","Kandpal, H.C.; Seshadri, R.","First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions","Solid State Sciences","2002","4","","1045","1052","10.1016/S1293-2558(02)01363-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510263","3.5549","","3.5549","","12.2898","","90","","90","","120","","134.502","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Au Y O2","","- Au O2 Y -","- Au O2 Y -","- Au2 O4 Y2 -","2","0.0833333","","Seshadri, R.; Kandpal, H.C.","First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions","Solid State Sciences","2002","4","","1045","1052","10.1016/S1293-2558(02)01363-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510302","23.414","","4.818","","8.267","","90","","90","","90","","932.589","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr Au Sn","","- Au Sn Sr -","- Au Sn Sr -","- Au12 Sn12 Sr12 -","12","1.5","","Trill, H.; Niepmann, D.; Mosel, B.D.; Kussmann, D.; Poettgen, R.; Hoffmann, R.D.","Transition metal tin ordering in Sr Pt Sn, Sr Au Sn and Ba Au Sn and 119Sn Moessbauer spectroscopy of Ca Pd Sn, Ca Pt Sn and Sr Au Sn","Solid State Sciences","2002","4","","481","487","10.1016/S1293-2558(02)01284-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510375","6.5833","","14.055","","6.0369","","90","","90","","90","","558.584","","","","","","","","","","","","","4","C m m a","-C 2a 2","67","","Cs2 Au2 Cd2 S4","","- Au2 Cd2 Cs2 S4 -","- Au2 Cd2 Cs2 S4 -","- Au4 Cd4 Cs4 S8 -","2","0.125","","Axtell, E.A.; Kanatzidis, M.G.","First examples of gold thiocadmates: A2 Au2 Cd2 S4 (A = Rb, Cs) and K2 Au4 Cd S4 : bright photoluminescence from new alkali metal/gold thiocadmates","Chemistry - A European Journal","1998","4","","2435","2441","10.1002/(SICI)1521-3765(19981204)4:12<2435::AID-CHEM2435>3.0.CO;2-V","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510376","13.93","","5.757","","6.742","","90","","90","","90","","540.675","","","","","","","","","","","","","4","P c c a","-P 2a 2ac","54","","Rb2 Au2 Cd2 S4","","- Au2 Cd2 Rb2 S4 -","- Au2 Cd2 Rb2 S4 -","- Au4 Cd4 Rb4 S8 -","2","0.25","","Kanatzidis, M.G.; Axtell, E.A.","First examples of gold thiocadmates: A2 Au2 Cd2 S4 (A = rb, Cs) and K2 Au4 Cd S4 : bright photoluminescence from new alkali metal/gold thiocadmates","Chemistry - A European Journal","1998","4","","2435","2441","10.1002/(SICI)1521-3765(19981204)4:12<2435::AID-CHEM2435>3.0.CO;2-V","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510535","10.568","","6.973","","14.69","","90","","90","","90","","1082.52","","","","","","","","","","","","","4","I b a m","-I 2 2c","72","","K2 Au4 Cd S4","","- Au4 Cd K2 S4 -","- Au4 Cd K2 S4 -","- Au16 Cd4 K8 S16 -","4","0.25","","Axtell, E.A.; Kanatzidis, M.G.","First examples of gold thiocadmates: A2 Au2 Cd2 S4 (A = rb, Cs) andK2 Au4 Cd S4 : bright photoluminescence from new alkali metal/gold thiocadmates","Chemistry - A European Journal","1998","4","","2435","2441","10.1002/(SICI)1521-3765(19981204)4:12<2435::AID-CHEM2435>3.0.CO;2-V","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510608","3.824","","3.824","","3.824","","90","","90","","90","","55.918","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ir0.55 Os0.25 Au0.2","","- Au0.2 Ir0.55 Os0.25 -","- Au0.2 Ir0.55 Os0.25 -","- Au0.8 Ir2.2 Os -","4","0.0208333","","Zvyagintsev, O.S.","Ein neues, Metalle der Platingruppe enthaltendes Mineral","Comptes Rendus de l'Academie des Sciences de l'URSS","1934","4","","176","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511002","3.16","","5.94","","8.95","","103.9","","91","","92","","162.918","","","","","","","","","","","","","3","P -1","-P 1","2","","Co2 (B2 O5)","","- B2 Co2 O5 -","- B2 Co2 O5 -","- B4 Co4 O10 -","2","1","","Berger, S.V.","The crystal structure of cobaltpyroborate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1950","4","","1054","1065","10.3891/acta.chem.scand.04-1054","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511236","5.56","","2.977","","4.145","","90","","90","","90","","68.609","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Mn B","","- B Mn -","- B Mn -","- B4 Mn4 -","4","0.5","","Kiessling, R.","The borides of manganese","Acta Chemica Scandinavica (1-27,1973-42,1988)","1950","4","","146","159","10.3891/acta.chem.scand.04-0146","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511237","5.148","","5.148","","4.208","","90","","90","","90","","111.52","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Mn2 B","","- B Mn2 -","- B Mn2 -","- B4 Mn8 -","4","0.125","","Kiessling, R.","The borides of manganese","Acta Chemica Scandinavica (1-27,1973-42,1988)","1950","4","","146","159","10.3891/acta.chem.scand.04-0146","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511254","3.298","","8.724","","3.166","","90","","90","","90","","91.091","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Nb B","","- B Nb -","- B Nb -","- B4 Nb4 -","4","0.25","","Kiessling, R.; Andersson, L.","Investigations on the binary systems of boron with chromium, columbium, nickel and thorium including a discussion of the phase 'TiB' in the titanium boron system","Acta Chemica Scandinavica (1-27,1973-42,1988)","1950","4","","160","160","10.3891/acta.chem.scand.04-0160","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511342","9.659","","20.461","","9.831","","90","","96.58","","90","","1930.13","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Si30.72 B1.28 O64","","- B1.28 O64 Si30.72 -","- B1.28 O64 Si30.72 -","- B1.28 O64 Si30.72 -","1","0.125","","Marler, B.; Vortmann, S.; Daniels, P.; Gies, H.","Synthesis and crystal structure of the new borosilicate zeolite RUB-13","Microporous Materials","1995","4","","111","121","10.1016/0927-6513(94)00090-I","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511374","15.128","","15.128","","27.955","","90","","90","","90","","6397.68","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Na5.88 B10 Se18","","- B10 Na5.88 Se18 -","- B10 Na5.878 Se18 -","- B80 Na47.024 Se144 -","8","0.25","","Lindemann, A.; Doech, M.; Hammerschmidt, A.; Krebs, B.","Na6 B10 Se18: a novel selenoborate with a 3D polymeric anion structure","Solid State Sciences","2002","4","","1449","1455","10.1016/S1293-2558(02)00035-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511403","23.064","","13.367","","24.464","","90","","90.281","","90","","7542.08","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Cs3 (B13 O21)","","- B13 Cs3 O21 -","- B13 Cs3 O21 -","- B208 Cs48 O336 -","16","2","","Nowogrocki, G.; Touboul, M.; Penin, N.; Seguin, L.","A new cesium borate Cs3 B13 O21","Solid State Sciences","2002","4","","67","76","10.1016/S1293-2558(01)01224-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511484","3.032","","12.86","","2.96","","90","","90","","90","","115.415","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","Mn3 B4","","- B4 Mn3 -","- B4 Mn3 -","- B8 Mn6 -","2","0.125","","Kiessling, R.","The borides of manganese","Acta Chemica Scandinavica (1-27,1973-42,1988)","1950","4","","146","159","10.3891/acta.chem.scand.04-0146","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511490","3.305","","14.82","","3.137","","90","","90","","90","","153.651","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","Nb3 B4","","- B4 Nb3 -","- B4 Nb3 -","- B8 Nb6 -","2","0.125","","Kiessling, R.; Andersson, L.H.","Investigations on the binary systems of boron with chromium, columbium, nickel and thorium including a discussion of the phase ""TiB"" in the titanium boron system","Acta Chemica Scandinavica (1-27,1973-42,1988)","1950","4","","160","160","10.3891/acta.chem.scand.04-0160","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511540","7.122","","9.64","","11.411","","90","","116.64","","90","","700.266","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cs (B5 O8)","","- B5 Cs O8 -","- B5 Cs O8 -","- B20 Cs4 O32 -","4","1","","Bubnova, R.S.; Anderson, J.E.; Filatov, S.K.; Fundamenskii, V.S.","New layered polyanion in alpha-(Cs B5 O8) high-temperature modification","Solid State Sciences","2002","4","","87","91","10.1016/S1293-2558(01)01194-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511684","6.603","","6.632","","30.085","","91.183","","91.781","","119.293","","1147.46","","","","","","","","","","","","","3","P -1","-P 1","2","","Rb3 (B7 O12)","","- B7 O12 Rb3 -","- B7 O12 Rb3 -","- B28 O48 Rb12 -","4","2","","Krivovichev, S.V.; Filatov, S.K.; Shakhverdova, I.P.; Burns, P.C.; Krzhizhanovskaya, M.G.; Polyakova, I.G.; Bubnova, R.S.","Synthesis, crystal structure and thermal behavior of Rb3 B7 O12, a new compound","Solid State Sciences","2002","4","","985","992","10.1016/S1293-2558(02)01341-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511695","8.9033","","8.9033","","8.7131","","90","","90","","120","","598.143","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Na3 La9 O3 (B O3)8","","- B8 La9 Na3 O27 -","- B8 La9 Na3 O27 -","- B8 La9 Na3 O27 -","1","0.0833333","","Peshev, P.; Gravereau, P.; Nikolov, V.; Pechev, S.; Chaminade, J.P.; Ivanova, D.","Na3 La9 O3 (B O3)8, a new oxyborate in the ternary system (Na2 O) - (La2 O3) - (B2 O3) : preparation and crystal structure","Solid State Sciences","2002","4","","993","998","10.1016/S1293-2558(02)01344-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513042","11.024","0.004","9.29","0.003","29.254","0.011","90","","98.054","0.012","90","","2966.4","1.8","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-Morpholin-4-yl-ethyl-ammonium mandelate","","","- C14 H21 N2 O4 -","- C14 H21 N2 O4 -","- C112 H168 N16 O32 -","8","2","","Ivanova, Bojidarka","Matrixes in UV-MALDI mass spectrometry ‒ crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids","Analytical Methods","2012","4","8","2247","","10.1039/C2AY25090J","","","0.71073","MoKα","","0.1476","0.0935","","","0.2603","0.2981","","","","","","0.891","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513043","9.9537","0.0015","9.6632","0.0015","16.173","0.003","90","","90","","90","","1555.6","0.4","198","2","198","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","D,L-mandelic acid redetermination","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","","Ivanova, Bojidarka","Matrixes in UV-MALDI Mass spectrometry – crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids","Analytical Methods","2012","4","","2247","","10.1039/C2AY25090J","","","0.71073","MoKα","","0.058","0.041","","","0.1244","0.144","","","","","","0.796","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1513044","7.711","0.003","12.974","0.006","23.865","0.011","90","","90","","90","","2387.5","1.8","199","2","199","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1,4bis(2hydroxyethyl)piperazinium MA MA acid","","","- C24 H34 Cl0 N2 O8 -","- C24 H34 N2 O8 -","- C96 H136 N8 O32 -","4","1","","Ivanova, Bojidarka","Matrixes in UV-MALDI Mass spectrometry – crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids","Analytical Methods","2012","4","","2247","","10.1039/C2AY25090J","","","0.71073","MoKα","","0.1227","0.1047","","","0.2195","0.2338","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513596","8.9413","0.0006","15.7005","0.001","17.7436","0.0011","90","","90","","90","","2490.9","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 F6 Fe N4 O6 S2 -","- C17 H26 F6 Fe N4 O6 S2 -","- C68 H104 F24 Fe4 N16 O24 S8 -","4","1","","Spannring, Peter; Prat, Irene; Costas, Miquel; Lutz, Martin; Bruijnincx, Pieter C. A.; Weckhuysen, Bert. M.; Klein Gebbink, Robertus J. M.","Fe(6-Me-PyTACN)-catalyzed, one-pot oxidative cleavage of methyl oleate and oleic acid into carboxylic acids with H2O2 and NaIO4","Catalysis Science & Technology","2014","4","3","708","","10.1039/c3cy00851g","","","0.71073","MoKα","","0.029","0.025","","","0.0559","0.0576","","","","","","1.096","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513597","8.964","0.004","9.189","0.004","11.432","0.005","69.34","0.02","89.43","0.02","80.99","0.02","869.2","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N4 O5 -","- C16.5 H14 N4 O5 -","- C33 H28 N8 O10 -","2","1","","Pradhan, Koyel; Paul, Sanjay; Das, Asish R.","Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media","Catalysis Science & Technology","2014","4","3","822","","10.1039/c3cy00901g","","","0.71073","MoKα","","0.1578","0.0986","","","0.2769","0.3321","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513598","7.8507","0.0019","8.48","0.002","15.77","0.004","96.715","0.008","90.412","0.009","109.096","0.008","984.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N2 O7 -","- C20 H18 N2 O7 -","- C40 H36 N4 O14 -","2","1","","Pradhan, Koyel; Paul, Sanjay; Das, Asish R.","Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media","Catalysis Science & Technology","2014","4","3","822","","10.1039/c3cy00901g","","","0.71073","MoKα","","0.1119","0.0758","","","0.2079","0.2487","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513599","8.549","0.005","11.18","0.005","12.73","0.005","91.165","0.005","104.363","0.005","110.189","0.005","1098.7","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N4 O7 -","- C22 H22 N4 O7 -","- C44 H44 N8 O14 -","2","1","","Pradhan, Koyel; Paul, Sanjay; Das, Asish R.","Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media","Catalysis Science & Technology","2014","4","3","822","","10.1039/c3cy00901g","","","0.71073","MoKα","","0.1002","0.0699","","","0.1858","0.2153","","","","","","1.057","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513600","9.3603","0.001","17.4152","0.0019","18.206","0.002","90","","90","","90","","2967.8","0.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 F6 Mn N4 O7 S2 -","- C22 H30 F6 Mn N4 O7 S2 -","- C88 H120 F24 Mn4 N16 O28 S8 -","4","1","","Maity, Nabin Ch.; Kumar Bera, Prasanta; Ghosh, Debashis; Abdi, Sayed H. R.; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Bajaj, Hari C.; Suresh, E.","Manganese complexes with non-porphyrin N4 ligands as recyclable catalyst for the asymmetric epoxidation of olefins","Catalysis Science & Technology","2014","4","1","208","","10.1039/c3cy00528c","","","0.71073","MoKα","","0.0896","0.0814","","","0.1632","0.1661","","","","","","1.294","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513601","9.3527","0.0019","17.384","0.003","18.184","0.004","90","","90","","90","","2956.5","1","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 F6 Mn N4 O7 S2 -","- C22 H30 F6 Mn N4 O7 S2 -","- C88 H120 F24 Mn4 N16 O28 S8 -","4","1","","Maity, Nabin Ch.; Kumar Bera, Prasanta; Ghosh, Debashis; Abdi, Sayed H. R.; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Bajaj, Hari C.; Suresh, E.","Manganese complexes with non-porphyrin N4 ligands as recyclable catalyst for the asymmetric epoxidation of olefins","Catalysis Science & Technology","2014","4","1","208","","10.1039/c3cy00528c","","","0.71073","MoKα","","0.0843","0.0777","","","0.1693","0.1728","","","","","","1.234","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513602","10.2529","0.0012","12.602","0.0015","16.39","0.002","73.082","0.002","87.303","0.002","89.419","0.002","2023.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H65 Cl N2 O3 Rh Si -","- C38.04 H57.517 Cl N2 O3 Rh Si -","- C76.08 H115.034 Cl2 N4 O6 Rh2 Si2 -","2","1","","Lázaro, Guillermo; Fernández-Alvarez, Francisco J.; Iglesias, Manuel; Horna, Cristina; Vispe, Eugenio; Sancho, Rodrigo; Lahoz, Fernando J.; Iglesias, Marta; Pérez-Torrente, Jesús J.; Oro, Luis A.","Heterogeneous catalysts based on supported Rh‒NHC complexes: synthesis of high molecular weight poly(silyl ether)s by catalytic hydrosilylation","Catalysis Science & Technology","2014","4","1","62","","10.1039/c3cy00598d","","","0.71073","MoKα","","0.0772","0.0545","","","0.1325","0.146","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513603","11.754","0.003","28.117","0.004","30.475","0.005","84.09","0.03","84.78","0.03","87.29","0.03","9969","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Cl4 Fe2 N8 O23 -","- C36 H42 Cl4 Fe2 N8 O23 -","- C288 H336 Cl32 Fe16 N64 O184 -","8","4","","Najafpour, Mohammad Mahdi; Moghaddam, Atefeh Nemati; Sedigh, Davood Jafarian; Hołyńska, Małgorzata","A dinuclear iron complex with a single oxo bridge as an efficient water-oxidizing catalyst in the presence of cerium(iv) ammonium nitrate: new findings and current controversies","Catalysis Science & Technology","2014","4","1","30","","10.1039/c3cy00644a","","","0.71073","MoKα","","0.1393","0.0401","","","0.0605","0.0711","","","","","","0.607","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513604","19.3405","0.0008","11.3692","0.0003","25.8709","0.0008","90","","90","","90","","5688.6","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H22 Cl3 N6 O6 Ru -","- C27 H22 Cl3 N6 O6 Ru -","- C216 H176 Cl24 N48 O48 Ru8 -","8","1","","Aguiló, Joan; Francàs, Laia; Liu, Hai Jie; Bofill, Roger; García-Antón, Jordi; Benet-Buchholz, Jordi; Llobet, Antoni; Escriche, Lluís; Sala, Xavier","Characterization and performance of electrostatically adsorbed Ru‒Hbpp water oxidation catalysts","Catalysis Science & Technology","2014","4","1","190","","10.1039/c3cy00643c","","","0.71073","MoKα","","0.0752","0.0433","","","0.0905","0.1038","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513605","26.0256","0.0014","52.12","0.003","28.8286","0.0014","90","","91.92","0.002","90","","39083","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C268 H204 Cl4 F96 N48 P16 Ru8 -","- C268 H204 Cl4 F96 N48 P16 Ru8 -","- C1072 H816 Cl16 F384 N192 P64 Ru32 -","4","1","","Aguiló, Joan; Francàs, Laia; Liu, Hai Jie; Bofill, Roger; García-Antón, Jordi; Benet-Buchholz, Jordi; Llobet, Antoni; Escriche, Lluís; Sala, Xavier","Characterization and performance of electrostatically adsorbed Ru–Hbpp water oxidation catalysts","Catalysis Science & Technology","2014","4","1","190","","10.1039/c3cy00643c","","","0.71073","MoKα","","0.1179","0.0743","","","0.1663","0.1816","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513836","14.477","0.0013","10.8678","0.0009","21.627","0.002","90","","122.78","0.006","90","","2860.8","0.5","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetraguaninium decatungstate acetonitrile tetrahydrate","Tetraguaninium di-mu5-oxo-icosa-mu-oxo-decaoxodecatungstate acetonitrile tetrahydrate","","- C22 H37 N20 O41 W10 -","- C22 H27 N21 O41 W10 -","- C44 H54 N42 O82 W20 -","2","0.5","","Kulikov, Vladislav; Meyer, Gerd","Polyoxotungstates in Molecular Boxes of Purine Bases","Crystals","2014","4","1","64","","10.3390/cryst4010064","","","0.71073","MoKα","","0.0612","0.0434","","","0.1103","0.1316","","","","","","1.073","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513837","16.81","0.003","13.0514","0.0019","15.675","0.003","90","","109.73","0.013","90","","3237.1","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ditheobrominium hexatungstate dihydrate","Ditheobrominium μ6-oxo-dodeca-μ-oxo-hexaoxohexatungstate(VI) dihydrate","","- C14 H22 N8 O25 W6 -","- C14 H18 N8 O25 W6 -","- C56 H72 N32 O100 W24 -","4","0.5","","Kulikov, Vladislav; Meyer, Gerd","Polyoxotungstates in Molecular Boxes of Purine Bases","Crystals","2014","4","1","64","","10.3390/cryst4010064","","","0.71073","MoKα","","0.1037","0.0361","","","0.0628","0.0745","","","","","","0.75","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513838","13.4905","0.0012","15.1707","0.0014","17.0692","0.0017","79.594","0.008","89.386","0.008","70.001","0.007","3223.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Hydronium tritheobrominium decatungstate trihydrate","Hydronium tritheobrominium di-mu5-oxo-icosa-mu-oxo-decaoxodecatungstate hemipentadecahydrate","","- C21 H45 N12 O46.5 W10 -","- C21 H27 N12 O46.5 W10 -","- C42 H54 N24 O93 W20 -","2","1","","Kulikov, Vladislav; Meyer, Gerd","Polyoxotungstates in Molecular Boxes of Purine Bases","Crystals","2014","4","1","64","","10.3390/cryst4010064","","","0.71073","MoKα","","0.059","0.0347","","","0.0847","0.095","","","","","","0.882","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514273","12.669","0.004","12.248","0.004","31.45","0.01","90","","90.014","0.006","90","","4880","3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","palladium(II)carbene","","","- C55 H55 Cl2 N2 P Pd -","- C55 H55 Cl2 N2 P Pd -","- C220 H220 Cl8 N8 P4 Pd4 -","4","2","","Crawford, Katherine A.; Cowley, Alan H.; Humphrey, Simon M.","Bis(imino)acenaphthene (BIAN)-supported palladium(ii) carbene complexes as effective C‒C coupling catalysts and solvent effects in organic and aqueous media","Catalysis Science & Technology","2014","4","5","1456","","10.1039/c4cy00192c","","","0.71073","MoKα","","0.0823","0.0767","","","0.1611","0.1644","","","","","","1.288","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514340","10.5425","0.0007","11.9183","0.0008","11.4221","0.0008","90","","108.364","0.004","90","","1362.08","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 O4 Si2 -","- C8 H18 O4 Si2 -","- C32 H72 O16 Si8 -","4","1","","Feghali, Elias; Jacquet, Olivier; Thuéry, Pierre; Cantat, Thibault","Catalytic hydrosilylation of oxalic acid: chemoselective formation of functionalized C2-products","Catalysis Science & Technology","2014","4","8","2230","","10.1039/c4cy00339j","","","0.71073","MoKα","","0.0552","0.04","","","0.0999","0.106","","","","","","1.03","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514374","10.919","0.0007","23.8725","0.0014","4.8372","0.0003","90","","90","","90","","1260.88","0.13","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O4 Pd -","- C13 H12 N2 O4 Pd -","- C52 H48 N8 O16 Pd4 -","4","1","","Dornan, Laura M.; Clendenning, Gráinne M. A.; Pitak, Mateusz B.; Coles, Simon J.; Muldoon, Mark J.","N,O-ligated Pd(ii) complexes for catalytic alcohol oxidation","Catalysis Science & Technology","2014","4","8","2526","","10.1039/c4cy00296b","","","0.71073","MoKα","","0.062","0.0486","","","0.0985","0.1057","","","","","","1.087","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514375","19.681","0.003","7.1866","0.0008","20.443","0.003","90","","107.332","0.002","90","","2760.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O5 Pd S -","- C12 H12 N2 O5 Pd S -","- C96 H96 N16 O40 Pd8 S8 -","8","2","","Dornan, Laura M.; Clendenning, Gráinne M. A.; Pitak, Mateusz B.; Coles, Simon J.; Muldoon, Mark J.","N,O-ligated Pd(ii) complexes for catalytic alcohol oxidation","Catalysis Science & Technology","2014","4","8","2526","","10.1039/c4cy00296b","","","0.71075","MoKα","","0.0449","0.0409","","","0.1027","0.106","","","","","","1.072","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514378","15.6555","0.0015","18.868","0.0018","18.2423","0.0018","90","","98.761","0.001","90","","5325.7","0.9","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H42 B F22 N P2 Pt -","- C55 H42 B F22 N P2 Pt -","- C220 H168 B4 F88 N4 P8 Pt4 -","4","1","","DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species","Chemical Science","2013","4","2","642","","10.1039/c2sc21385k","","","0.71073","MoKα","","0.0854","0.0758","","","0.1697","0.1738","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514379","15.495","0.002","18.673","0.003","22.444","0.002","90","","125.955","0.007","90","","5256.7","1.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H39 B F23 N P2 Pt -","- C54 H39 B F23 N P2 Pt -","- C216 H156 B4 F92 N4 P8 Pt4 -","4","1","","DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species","Chemical Science","2013","4","2","642","","10.1039/c2sc21385k","","","0.71073","MoKα","","0.0376","0.0285","","","0.064","0.067","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514380","19.446","0.02","15.82","0.016","15.256","0.015","90","","107.781","0.014","90","","4469","8","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 B11 Cl12 F2 N P2 Pt -","- C25 H35 B11 Cl12 F2 N P2 Pt -","- C100 H140 B44 Cl48 F8 N4 P8 Pt4 -","4","1","","DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species","Chemical Science","2013","4","2","642","","10.1039/c2sc21385k","","","0.71073","MoKα","","0.0941","0.0556","","","0.1086","0.1198","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514381","11.9663","0.0007","12.5933","0.0008","19.2781","0.0012","76.089","0.0008","85.2516","0.0009","62.9902","0.0007","2511.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 B F2 N5 -","- C30 H22 B F2 N5 -","- C120 H88 B4 F8 N20 -","4","2","","Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes","Chemical Science","2013","4","2","612","","10.1039/c2sc21307a","","","0.71073","MoKα","","0.1209","0.0562","","","0.1089","0.133","","","","","","1.022","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514382","33.428","0.002","11.5134","0.0007","13.9925","0.0009","90","","111.419","0.003","90","","5013.4","0.5","103","0.1","103","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H24 B Cl F2 N4 -","- C30.5 H24 B Cl F2 N4 -","- C244 H192 B8 Cl8 F16 N32 -","8","1","","Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes","Chemical Science","2013","4","2","612","","10.1039/c2sc21307a","","","0.71073","MoKα","","0.1025","0.0522","","","0.1127","0.1374","","","","","","1.023","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514383","12.0332","0.0008","14.8026","0.001","15.5572","0.001","89.0111","0.0008","83.545","0.0008","72.8575","0.0008","2630.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 B F2 N4 -","- C32 H27 B F2 N4 -","- C128 H108 B4 F8 N16 -","4","2","","Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes","Chemical Science","2013","4","2","612","","10.1039/c2sc21307a","","","0.71073","MoKα","","0.0611","0.0432","","","0.1106","0.1217","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514384","10.7533","0.0007","13.3999","0.0008","24.5025","0.0015","91.7881","0.0008","95.0164","0.0008","100.258","0.0008","3457","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H43 B F2 N4 -","- C40 H43 B F2 N4 -","- C160 H172 B4 F8 N16 -","4","2","","Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes","Chemical Science","2013","4","2","612","","10.1039/c2sc21307a","","","0.71073","MoKα","","0.0957","0.0597","","","0.1359","0.1575","","","","","","1.024","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514385","15.7903","0.0006","11.9086","0.0005","15.8933","0.0007","90","","94.469","0.0005","90","","2979.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H35 B F2 N4 -","- C36 H35 B F2 N4 -","- C144 H140 B4 F8 N16 -","4","1","","Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes","Chemical Science","2013","4","2","612","","10.1039/c2sc21307a","","","0.71073","MoKα","","0.0637","0.0404","","","0.0938","0.1059","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514386","14.0731","0.0002","11.5359","0.0002","31.2056","0.0004","90","","93.7226","0.0005","90","","5055.41","0.13","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28.5 H18 B Cl3 F2 N4 -","- C28.5 H18 B Cl3 F2 N4 -","- C228 H144 B8 Cl24 F16 N32 -","8","1","","Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes","Chemical Science","2013","4","2","612","","10.1039/c2sc21307a","","","1.54178","CuKα","","0.0355","0.0335","","","0.0989","0.1009","","","","","","1.037","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514387","14.2376","0.0005","14.5557","0.0005","16.0245","0.0006","112.035","0.0004","96.1392","0.0004","107.982","0.0004","2832.94","0.18","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H68 Ca Cl2 F3 Fe N4 O15 S4 -","- C45 H68 Ca Cl2 F3 Fe N4 O15 S4 -","- C90 H136 Ca2 Cl4 F6 Fe2 N8 O30 S8 -","2","1","","Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Heterobimetallic Complexes with M(III)-(μ-OH)-M(II) Cores (M(III) = Fe, Mn, Ga; M(II) = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","2","717","726","10.1039/C2SC21400H","","","0.71073","MoKα","","0.052","0.0443","","","0.1145","0.1201","","","","","","1.035","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514388","8.7949","0.0003","28.7099","0.0011","22.444","0.0009","90","","98.6131","0.0005","90","","5603.2","0.4","88","2","88","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C45 H68 Cl2 F3 Fe N4 O15 S4 Sr -","- C45 H68 Cl2 F3 Fe N4 O15 S4 Sr -","- C180 H272 Cl8 F12 Fe4 N16 O60 S16 Sr4 -","4","1","","Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Heterobimetallic Complexes with M(III)-(μ-OH)-M(II) Cores (M(III) = Fe, Mn, Ga; M(II) = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","2","717","726","10.1039/C2SC21400H","","","0.71073","MoKα","","0.0578","0.0472","","","0.1234","0.13","","","","","","1.035","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514389","12.9433","0.0006","14.8169","0.0007","18.2751","0.0008","110.991","0.0005","91.9057","0.0005","105.868","0.0005","3113.7","0.2","88","2","88","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H78 Ba F3 Fe N4 O17 S4 -","- C50 H78 Ba F3 Fe N4 O17 S4 -","- C100 H156 Ba2 F6 Fe2 N8 O34 S8 -","2","1","","Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Heterobimetallic Complexes with M(III)-(μ-OH)-M(II) Cores (M(III) = Fe, Mn, Ga; M(II) = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","2","717","726","10.1039/C2SC21400H","","","0.71073","MoKα","","0.0444","0.037","","","0.0998","0.1053","","","","","","1.031","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514390","13.9061","0.0007","15.1055","0.0008","16.262","0.0009","68.7445","0.0006","75.3429","0.0006","74.3805","0.0006","3019.7","0.3","143","2","143","2","","","","","","","","9","P -1","-P 1","2","","","","- C46 H70 Cl4 F3 Mn N4 O15 S4 Sr -","- C46 H70 Cl4 F3 Mn N4 O15 S4 Sr -","- C92 H140 Cl8 F6 Mn2 N8 O30 S8 Sr2 -","2","1","","Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Heterobimetallic Complexes with M(III)-(μ-OH)-M(II) Cores (M(III) = Fe, Mn, Ga; M(II) = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","2","717","726","10.1039/C2SC21400H","","","0.71073","MoKα","","0.0585","0.053","","","0.1392","0.1434","","","","","","1.039","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514391","14.3885","0.0005","14.7196","0.0005","15.8403","0.0006","112.801","0.0004","97.8526","0.0004","106.385","0.0004","2850.07","0.18","198","2","198","2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H68 Ca Cl2 F3 Ga N4 O15 S4 -","- C45 H68 Ca Cl2 F3 Ga N4 O15 S4 -","- C90 H136 Ca2 Cl4 F6 Ga2 N8 O30 S8 -","2","1","","Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Heterobimetallic Complexes with M(III)-(μ-OH)-M(II) Cores (M(III) = Fe, Mn, Ga; M(II) = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","2","717","726","10.1039/C2SC21400H","","","0.71073","MoKα","","0.0516","0.0469","","","0.1264","0.1304","","","","","","1.059","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514392","11.4992","0.0007","24.3436","0.0015","15.0944","0.001","90","","112.268","0.001","90","","3910.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 Cl N O5 -","- C42 H56 Cl N O5 -","- C168 H224 Cl4 N4 O20 -","4","1","","Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D.","Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams","Chemical Science","2013","4","2","622","","10.1039/c2sc21240d","","x-ray","0.71073","MoKα","","0.0931","0.0649","","","0.176","0.1983","","","","","","1.063","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514393","5.1885","0.001","14.53","0.003","19.501","0.004","90","","90","","90","","1470.2","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Cl N O -","- C16 H20 Cl N O -","- C64 H80 Cl4 N4 O4 -","4","1","","Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D.","Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams","Chemical Science","2013","4","2","622","","10.1039/c2sc21240d","","x-ray","0.71073","MoKα","","0.0309","0.0273","","","0.0629","0.0648","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514394","7.8652","0.0018","13.56","0.003","19.207","0.004","90","","90","","90","","2048.5","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Cl N O4 -","- C24 H18 Cl N O4 -","- C96 H72 Cl4 N4 O16 -","4","1","","Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D.","Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams","Chemical Science","2013","4","2","622","","10.1039/c2sc21240d","","x-ray","0.71073","MoKα","","0.0357","0.0285","","","0.0599","0.0636","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514395","16.49","0.001","16.49","0.001","14.05","0.001","90","","90","","120","","3308.6","0.4","100","2","100","2","","","","","","","synthesis as described","5","P -3 1 c","-P 3 2c","163","","","","- C51 H33 N7 O20 Zn3 -","- C51.04 H24 N6.99 O19.98 Zn3 -","- C102.08 H48 N13.98 O39.96 Zn6 -","2","0.166667","","Park, Hye Jeong; Suh, Myunghyun Paik","Enhanced isosteric heat, selectivity, and uptake capacity of CO2 adsorption in a metal-organic framework by impregnated metal ions","Chemical Science","2013","4","2","685","","10.1039/c2sc21253f","","x-ray","0.8","synchrotron","","0.1193","0.1131","","","0.3384","0.3453","","","","","","1.58","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514396","19.1854","0.0003","19.6691","0.0004","24.6274","0.0004","90","","108.482","0.0009","90","","8814.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H90 N2 Pt -","- C84 H90 N2 Pt -","- C336 H360 N8 Pt4 -","4","1","","Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood","Arene C‒H bond activation across Pt(ii)‒OH bonds: catalyzed vs. uncatalyzed pathways","Chemical Science","2013","4","2","770","","10.1039/c2sc21917d","","","0.71073","MoKα","","0.085","0.0616","","","0.1495","0.1603","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514397","12.0941","0.0003","15.39","0.0004","25.2421","0.0005","101.259","0.0009","98.6734","0.001","111.101","0.0007","4171.5","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C102.5 H113 Cl N2 Pt -","- C78 H85 Cl N2 Pt -","- C156 H170 Cl2 N4 Pt2 -","2","1","","Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood","Arene C‒H bond activation across Pt(ii)‒OH bonds: catalyzed vs. uncatalyzed pathways","Chemical Science","2013","4","2","770","","10.1039/c2sc21917d","","","0.71073","MoKα","","0.041","0.0366","","","0.094","0.097","","","","","","1.075","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514398","14.2953","0.0005","18.3037","0.0007","20.8565","0.0008","75.534","0.002","71.127","0.002","74.087","0.002","4887.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H81 Cu3 N16 O3 Y -","- C75 H81 Cu3 N16 O3 Y -","- C150 H162 Cu6 N32 O6 Y2 -","2","1","","Lionetti, Davide; Day, Michael W.; Agapie, Theodor","Metal-Templated Ligand Architectures for Trinuclear Chemistry: Tricopper Complexes and Their O2 Reactivity.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","2","785","790","10.1039/C2SC21758A","","","0.71073","MoKα","","0.1002","0.07","","","0.0973","0.0983","","","","","","3.264","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514399","6.0689","0.0006","11.699","0.0013","19.4385","0.0019","90","","98.695","0.011","90","","1364.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tert.-butylglyoxylic acid dimer","","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","1","","Ley, David; Gerbig, Dennis; Schreiner, Peter R.","Tunneling control of chemical reactions: C–H insertion versus H-tunneling in tert-butylhydroxycarbene","Chemical Science","2013","4","2","677","","10.1039/c2sc21555a","","","0.71073","MoKα","","0.048","0.0414","","","0.1452","0.1566","","","","","","0.686","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514400","23.5319","0.0008","12.9011","0.0005","16.0719","0.0006","90","","106.846","0.002","90","","4669.8","0.3","143","1","143","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 F40 N4 U -","- C48 F40 N4 U -","- C192 F160 N16 U4 -","4","0.5","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.0204","0.0179","","","0.0445","0.0456","","","","","","1.053","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514401","38.651","0.003","12.3736","0.0009","19.957","0.0014","90","","99.992","0.003","90","","9399.7","1.2","143","1","143","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H20 F20 N4 U -","- C48 H20 F20 N4 U -","- C384 H160 F160 N32 U8 -","8","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.0307","0.0245","","","0.0652","0.0681","","","","","","1.023","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514402","11.0728","0.0003","11.7379","0.0004","20.3378","0.0006","79.419","0.002","80.189","0.001","84.54","0.002","2554.81","0.14","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H16 F30 N3 O2 U -","- C44 H16 F30 N3 O2 U -","- C88 H32 F60 N6 O4 U2 -","2","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.0213","0.0184","","","0.0457","0.0466","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514403","13.4814","0.0008","16.1925","0.001","19.0979","0.0011","76.559","0.003","87.948","0.003","84.674","0.003","4036.9","0.4","143","1","143","1","","","","","","","","7","P -1","-P 1","2","","","","- C88.5 H66 F18 N3 O2 P2 U -","- C88.5 H66 F18 N3 O2 P2 U -","- C177 H132 F36 N6 O4 P4 U2 -","2","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.0964","0.0588","","","0.1441","0.167","","","","","","1.096","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514404","10.0174","0.0007","15.9406","0.0012","7.9776","0.0006","90","","90","","90","","1273.89","0.16","143","1","143","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H9 F6 N -","- C14 H9 F6 N -","- C56 H36 F24 N4 -","4","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.0263","0.0246","","","0.0642","0.0655","","","","","","1.077","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514405","10.8866","0.0007","11.9211","0.0007","12.8559","0.0008","111.365","0.003","100.052","0.003","109.196","0.003","1382.79","0.16","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 F6 K N O3 -","- C26 H32 F6 K N O3 -","- C52 H64 F12 K2 N2 O6 -","2","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.061","0.0517","","","0.1458","0.1545","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514406","8.4008","0.0005","10.5747","0.0006","11.1333","0.0007","77.131","0.003","69.962","0.003","75.663","0.002","889.84","0.09","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 F10 K N O -","- C16 H10 F10 K N O -","- C32 H20 F20 K2 N2 O2 -","2","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.0285","0.0258","","","0.0722","0.0747","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514407","24.2328","0.0016","12.7508","0.0008","24.1585","0.0015","90","","109.123","0.003","90","","7052.8","0.8","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H42 F25 K N6 U -","- C66 H42 F25 K N6 U -","- C264 H168 F100 K4 N24 U4 -","4","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.055","0.0473","","","0.102","0.1046","","","","","","1.14","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514408","14.0368","0.0015","15.1189","0.0017","15.1242","0.0017","85.358","0.006","85.555","0.005","86.35","0.006","3184.2","0.6","230","2","230","2","","","","","","","","6","P -1","-P 1","2","BMOF-1-dcppy-Ir","","","- C34 H18 Ir0.11 N4 O8 Zn2 -","- C34 H18 Ir0.11 N4 O8 Zn2 -","- C68 H36 Ir0.22 N8 O16 Zn4 -","2","1","","Dau, Phuong V.; Kim, Min; Cohen, Seth M.","Site-selective cyclometalation of a metal‒organic framework","Chemical Science","2013","4","2","601","","10.1039/c2sc21289g","","","1.54178","CuKα","","0.1356","0.1074","","","0.3089","0.3298","","","","","","1.337","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514409","15.093","0.006","15.093","0.006","9.62","0.004","90","","90","","90","","2191.4","1.5","250","2","250","2","","","","","","","","6","P 4/m m m","-P 4 2","123","DMOF-1-dcppy(Rh)","","","- C26 H8 N10 O8 Rh Zn2 -","- C26.08 H8 N10 O8 Rh0.96 Zn2 -","- C26.08 H8 N10 O8 Rh0.96 Zn2 -","1","0.0625","","Dau, Phuong V.; Kim, Min; Cohen, Seth M.","Site-selective cyclometalation of a metal‒organic framework","Chemical Science","2013","4","2","601","","10.1039/c2sc21289g","","","0.71073","MoKα","","0.0998","0.0908","","","0.2529","0.262","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514410","14.0869","0.0013","15.1333","0.0017","15.1402","0.0015","86.517","0.007","87.286","0.005","86.896","0.005","3213.8","0.6","230","2","230","2","","","","","","","","6","P -1","-P 1","2","BMOF-1-dcppy(Rh)","","","- C36 H21 N4 O8 Rh0.15 Zn2 -","- C36 H21 N4 O8 Rh0.08 Zn2 -","- C72 H42 N8 O16 Rh0.16 Zn4 -","2","1","","Dau, Phuong V.; Kim, Min; Cohen, Seth M.","Site-selective cyclometalation of a metal‒organic framework","Chemical Science","2013","4","2","601","","10.1039/c2sc21289g","","","1.54178","CuKα","","0.0599","0.0518","","","0.1517","0.1572","","","","","","1.085","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514411","15.093","0.006","15.093","0.006","9.62","0.004","90","","90","","90","","2191.4","1.5","250","2","250","2","","","","","","","","6","P 4/m m m","-P 4 2","123","DMOF-1-dcppy(Ir)","","","- C24 H8 Ir0.29 N6 O8 Zn2 -","- C24 H8 Ir0.28 N6 O8 Zn2 -","- C24 H8 Ir0.28 N6 O8 Zn2 -","1","0.0625","","Dau, Phuong V.; Kim, Min; Cohen, Seth M.","Site-selective cyclometalation of a metal‒organic framework","Chemical Science","2013","4","2","601","","10.1039/c2sc21289g","","","0.71073","MoKα","","0.1677","0.1567","","","0.3555","0.3458","","","","","","1.25","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514412","11.2823","0.0003","16.8988","0.0004","22.9869","0.0006","81.236","0.002","79.739","0.002","81.615","0.002","4230.32","0.19","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 P Si -","- C25 H23 P Si -","- C200 H184 P8 Si8 -","8","4","","Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R.","A metal–amide dependent, catalytic C–H functionalisation of triphenylphosphonium methylide","Chemical Science","2013","4","2","691","","10.1039/c2sc21123h","","","0.71073","MoKα","","0.0824","0.0539","","","0.1272","0.139","","","","","","1.037","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514413","18.8666","0.0004","22.2888","0.0005","25.4992","0.0006","90","","100.652","0.002","90","","10538","0.4","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H70 Li2 N2 P2 Si4 -","- C50 H70 Li2 N2 P2 Si4 -","- C400 H560 Li16 N16 P16 Si32 -","8","2","","Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R.","A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide","Chemical Science","2013","4","2","691","","10.1039/c2sc21123h","","","0.71073","MoKα","","0.0773","0.0596","","","0.1549","0.1685","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514414","30.6079","0.0011","12.39475","0.00017","22.0579","0.0008","90","","128.948","0.006","90","","6508.1","0.6","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H86 Ca N2 P2 Si4 -","- C64 H86 Ca N2 P2 Si4 -","- C256 H344 Ca4 N8 P8 Si16 -","4","0.5","","Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R.","A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide","Chemical Science","2013","4","2","691","","10.1039/c2sc21123h","","","0.71073","MoKα","","0.065","0.0458","","","0.1333","0.1446","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514415","11.1459","0.0003","20.7732","0.0004","16.6276","0.0003","90","","100.782","0.0019","90","","3781.92","0.14","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H52 N2 P Si4 Y -","- C31 H52 N2 P Si4 Y -","- C124 H208 N8 P4 Si16 Y4 -","4","1","","Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R.","A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide","Chemical Science","2013","4","2","691","","10.1039/c2sc21123h","","","0.71073","MoKα","","0.0829","0.0406","","","0.0841","0.0923","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514416","11.569","0.0013","12.623","0.0015","20.413","0.003","97.57","0.011","102.49","0.012","113.57","0.008","2587.1","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C159 H60 I2 N2 O20 -","- C159 H60 I2 N2 O20 -","- C159 H60 I2 N2 O20 -","1","0.5","","Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing","Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions","Chemical Science","2013","4","2","814","","10.1039/c2sc21760k","","","0.71073","MoKα","","0.1003","0.09","","","0.1444","0.1491","","","","","","1.307","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514417","14.3061","0.0015","14.457","0.002","15.4664","0.0019","76.592","0.015","66.58","0.013","61.681","0.01","2580.3","0.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H17 Cl6 N O8 -","- C71 H17 Cl6 N O8 -","- C142 H34 Cl12 N2 O16 -","2","1","","Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing","Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions","Chemical Science","2013","4","2","814","","10.1039/c2sc21760k","","","0.71073","MoKα","","0.0642","0.0506","","","0.1379","0.1434","","","","","","1.092","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514418","18.742","0.004","13.442","0.003","18.553","0.004","90","","114.4","0.003","90","","4256.6","1.6","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C65 H5 N O5 -","- C65 H5 N O5 -","- C260 H20 N4 O20 -","4","1","","Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing","Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions","Chemical Science","2013","4","2","814","","10.1039/c2sc21760k","","","0.71073","MoKα","","0.0789","0.0621","","","0.1519","0.1607","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514419","12.754","0.003","12.843","0.003","14.63","0.003","78.32","0.03","82.27","0.03","68.22","0.03","2174.6","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H6 Cl6 I N O5 -","- C67 H6 Cl6 I N O5 -","- C134 H12 Cl12 I2 N2 O10 -","2","1","","Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing","Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions","Chemical Science","2013","4","2","814","","10.1039/c2sc21760k","","","0.71073","MoKα","","0.2178","0.1914","","","0.4383","0.4514","","","","","","2.223","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514420","19.163","0.006","13.468","0.004","18.553","0.007","90","","114.32","0.004","90","","4363","3","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C68 H9 N O7 -","- C68 H9 N O7 -","- C272 H36 N4 O28 -","4","1","","Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing","Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions","Chemical Science","2013","4","2","814","","10.1039/c2sc21760k","","","0.71073","MoKα","","0.184","0.119","","","0.2952","0.3354","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514421","11.3252","0.0004","14.7748","0.0005","24.3057","0.0008","90","","90.686","0.002","90","","4066.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H114 N8 O8 S4 Yb2 -","- C80 H114 N8 O8 S4 Yb2 -","- C160 H228 N16 O16 S8 Yb4 -","2","0.5","","Kwong, Wai-Lun; Wai-Yin Sun, Raymond; Lok, Chun-Nam; Siu, Fung-Ming; Wong, Suk-Yu; Low, Kam-Hung; Che, Chi-Ming","An ytterbium(iii) porphyrin induces endoplasmic reticulum stress and apoptosis in cancer cells: cytotoxicity and transcriptomics studies","Chemical Science","2013","4","2","747","","10.1039/c2sc21541a","","","1.54178","CuKα","","0.0573","0.0495","","","0.1125","0.1183","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514422","15.4085","0.0003","20.2602","0.0003","21.0264","0.0004","90","","102.87","0.002","90","","6399.1","0.2","123.01","0.11","123.01","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Co K O4 -","- C36 H40 Co K O4 -","- C288 H320 Co8 K8 O32 -","8","2","","Gülak, Samet; Stepanek, Ondrej; Malberg, Jennifer; Rad, Babak Rezaei; Kotora, Martin; Wolf, Robert; Jacobi von Wangelin, Axel","Highly chemoselective cobalt-catalyzed biaryl coupling reactions","Chemical Science","2013","4","2","776","","10.1039/c2sc21667a","","","1.5418","CuKα","","0.0956","0.0631","","","0.1601","0.18","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514423","15.3062","0.0001","47.6192","0.0003","15.6327","0.0001","90","","108.576","0.0003","90","","10800.6","0.12","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C136 Cl16 Dy2 N8 O74 Si2 W20 -","- C136 Cl16 Dy2 N8 O74 Si2 W20 -","- C272 Cl32 Dy4 N16 O148 Si4 W40 -","2","0.5","","Suzuki, Kosuke; Sato, Rinta; Mizuno, Noritaka","Reversible switching of single-molecule magnet behaviors by transformation of dinuclear dysprosium cores in polyoxometalates","Chemical Science","2013","4","2","596","","10.1039/c2sc21619a","","","0.71069","MoKY=a","","0.0518","0.0493","","","0.116","0.1177","","","","","","1.141","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514424","15.2981","0.0001","47.7123","0.0004","15.6288","0.0001","90","","108.609","0.0005","90","","10811.2","0.14","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C136 Cl16 Gd2 N8 O74 Si2 W20 -","- C136 Cl16 Gd2 N8 O74 Si2 W20 -","- C272 Cl32 Gd4 N16 O148 Si4 W40 -","2","0.5","","Suzuki, Kosuke; Sato, Rinta; Mizuno, Noritaka","Reversible switching of single-molecule magnet behaviors by transformation of dinuclear dysprosium cores in polyoxometalates","Chemical Science","2013","4","2","596","","10.1039/c2sc21619a","","","0.71069","MoKY=a","","0.0702","0.0659","","","0.1787","0.1867","","","","","","1.179","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514425","12.2769","0.0004","12.2829","0.0005","22.2697","0.0008","90","","91.868","0.002","90","","3356.4","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","3 in manuscript","","","- C32 H41 Au Cl2 N2 O2 -","- C32 H41 Au Cl2 N2 O2 -","- C128 H164 Au4 Cl8 N8 O8 -","4","1","","Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K.","Gold‒allenylidenes ‒ an experimental and theoretical study","Chemical Science","2013","4","4","1552","","10.1039/c3sc22227f","","","0.71073","MoKα","","0.0453","0.0282","","","0.0629","0.0701","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514426","10.2357","0.0003","12.3159","0.0003","28.5345","0.0007","90","","96.224","0.002","90","","3575.91","0.16","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4 in manuscript","","","- C35 H46 Au Cl2 N3 O -","- C35 H46 Au Cl2 N3 O -","- C140 H184 Au4 Cl8 N12 O4 -","4","1","","Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K.","Gold‒allenylidenes ‒ an experimental and theoretical study","Chemical Science","2013","4","4","1552","","10.1039/c3sc22227f","","","0.71073","MoKα","","0.0451","0.0343","","","0.0755","0.0797","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514427","27.6","0.0018","27.6","0.0018","21.2131","0.0013","90","","90","","90","","16159.3","1.8","200","2","200","2","","","","","","","","8","P 41","P 4w","76","5 in manuscript","","","- C36.25 H47.5 Au Cl F3 N3 O4 S -","- C36.25 H47.5 Au Cl F3 N3 O4 S -","- C580 H760 Au16 Cl16 F48 N48 O64 S16 -","16","4","","Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K.","Gold‒allenylidenes ‒ an experimental and theoretical study","Chemical Science","2013","4","4","1552","","10.1039/c3sc22227f","","","0.71073","MoKα","","0.0874","0.0558","","","0.1305","0.1458","","","","","","1.023","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514428","14.9639","0.0011","16.2074","0.001","16.6904","0.0012","68.074","0.001","65.602","0.002","86.227","0.001","3400.9","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H74 F6 N6 O10 P2 -","- C66 H76 F6 N6 O10 P2 -","- C132 H152 F12 N12 O20 P4 -","2","1","","Liu, Li; Liu, Yuanyuan; Liu, Pingying; Wu, Jie; Guan, Yangfan; Hu, Xiaoyu; Lin, Chen; Yang, Yang; Sun, Xiaoqiang; Ma, Jing; Wang, Leyong","Phosphine oxide functional group based three-station molecular shuttle","Chemical Science","2013","4","4","1701","","10.1039/c3sc22048f","","","0.71073","MoKα","","0.0837","0.0577","","","0.1132","0.1186","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514429","11.8419","0.0003","6.5568","0.0001","20.7441","0.0004","90","","102.819","0.001","90","","1570.53","0.06","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H10 Br N O4 -","- C14 H10 Br N O4 -","- C56 H40 Br4 N4 O16 -","4","2","","Lathrop, Stephen P.; Rovis, Tomislav","A photoisomerization-coupled asymmetric Stetter reaction: application to the total synthesis of three diastereomers of (-)-cephalimysin A.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","4","1668","","10.1039/C3SC22292F","","","0.71073","MoKα","","0.075","0.0497","","","0.1177","0.1254","","","","","","0.972","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514430","30.926","0.005","30.926","0.005","45.103","0.007","90","","90","","90","","43137","12","123","2","123","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C66 H111 Cu3 N19 O35 -","- C36 H15 Cu3 N9 O15 -","- C576 H240 Cu48 N144 O240 -","16","1","","Yan, Yong; Suyetin, Mikhail; Bichoutskaia, Elena; Blake, Alexander J.; Allan, David R.; Barnett, Sarah A.; Schröder, Martin","Modulating the packing of [Cu24(isophthalate)24] cuboctahedra in a triazole-containing metal‒organic polyhedral framework","Chemical Science","2013","4","4","1731","","10.1039/c3sc21769h","","","0.6889","Synchrotron","","0.0812","0.0649","","","0.189","0.201","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514431","19.744","0.004","19.587","0.004","32.31","0.007","90","","90","","90","","12495","4","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H44 Br4 N8 O7 -","- C62 H44 Br4 N8 O7 -","- C496 H352 Br32 N64 O56 -","8","1","","Song, Na Ri; Moon, Jong Hun; Choi, Jiyoung; Jun, Eun Jin; Kim, Youngmee; Kim, Sung-Jin; Lee, Jin Yong; Yoon, Juyoung","Cyclic benzobisimidazolium derivative for the selective fluorescent recognition of HSO4−via a combination of C‒H hydrogen bonds and charge interactions","Chemical Science","2013","4","4","1765","","10.1039/c3sc22201b","","","0.71073","MoKα","","0.1787","0.0895","","","0.2549","0.3053","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514432","22.03","0.004","27.145","0.005","10.285","0.002","90","","116.38","0.03","90","","5510","2","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 F24 N8 O2 P4 -","- C46 H48 F24 N8 O2 P4 -","- C184 H192 F96 N32 O8 P16 -","4","0.5","","Song, Na Ri; Moon, Jong Hun; Choi, Jiyoung; Jun, Eun Jin; Kim, Youngmee; Kim, Sung-Jin; Lee, Jin Yong; Yoon, Juyoung","Cyclic benzobisimidazolium derivative for the selective fluorescent recognition of HSO4−via a combination of C–H hydrogen bonds and charge interactions","Chemical Science","2013","4","4","1765","","10.1039/c3sc22201b","","","0.71073","MoKα","","0.0922","0.0812","","","0.2306","0.243","","","","","","1.06","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514433","17.243","0.003","17.243","0.003","20.157","0.006","90","","90","","90","","5993","2","273","2","273","2","","","","","","","","5","I 41/a :2","-I 4ad","88","bio-MOF-12","","","- C11 H16 Co N6 O3 -","- C11 H16 Co N6 O3 -","- C176 H256 Co16 N96 O48 -","16","1","","Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L.","Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues","Chemical Science","2013","4","4","1746","","10.1039/c3sc22207a","","","0.71073","MoKα","","0.0899","0.0474","","","0.0855","0.0985","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514434","15.7869","0.001","15.7869","0.001","22.328","0.003","90","","90","","90","","5564.7","0.9","273","2","273","2","","","","","","","","5","I 41/a :2","-I 4ad","88","bio-MOF-13","","","- C9 H15 Co N5 O3 -","- C9 H10 Co N5 O3 -","- C144 H160 Co16 N80 O48 -","16","1","","Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L.","Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues","Chemical Science","2013","4","4","1746","","10.1039/c3sc22207a","","","0.71073","MoKα","","0.0687","0.0541","","","0.1677","0.1836","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514435","15.852","0.003","15.852","0.003","22.346","0.008","90","","90","","90","","5615","3","273","2","273","2","","","","","","","","5","I 41/a :2","-I 4ad","88","bio-MOF-14","","","- C10 H14 Co N5 O2.5 -","- C10 H13 Co N5 O2.5 -","- C160 H208 Co16 N80 O40 -","16","1","","Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L.","Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues","Chemical Science","2013","4","4","1746","","10.1039/c3sc22207a","","","0.71073","MoKα","","0.1442","0.0658","","","0.1834","0.2298","","","","","","1.029","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514436","9.1792","0.0004","12.119","0.0004","15.8077","0.0006","85.527","0.003","77.912","0.003","87.404","0.003","1713.51","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H58 Mg N2 O -","- C37 H58 Mg N2 O -","- C74 H116 Mg2 N4 O2 -","2","1","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.71073","MoKα","","0.0998","0.0513","","","0.111","0.1217","","","","","","0.9","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514437","9.0121","0.0002","20.1333","0.0005","19.8758","0.0004","90","","91.504","0.002","90","","3605.09","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H59 Mg N3 -","- C38 H59 Mg N3 -","- C152 H236 Mg4 N12 -","4","1","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.71073","MoKα","","0.0673","0.0478","","","0.1115","0.1216","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514438","32.394","0.006","32.394","0.006","11.017","0.002","90","","90","","120","","10012","3","150","2","150","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C40 H53 Mg N3 O2 -","- C40 H53 Mg N3 O2 -","- C360 H477 Mg9 N27 O18 -","9","0.5","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.6889","synchrotron","","0.0759","0.0751","","","0.1859","0.1877","","","","","","1.112","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514439","13.5757","0.0017","14.4034","0.0018","18.932","0.002","90","","92.2137","0.0013","90","","3699.1","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H104 Mg2 N6 S2 -","- C78 H104 Mg2 N6 S2 -","- C156 H208 Mg4 N12 S4 -","2","0.5","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.6889","synchrotron","","0.091","0.083","","","0.1985","0.2099","","","","","","1.157","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514440","18.964","0.005","12.505","0.003","38.624","0.01","90","","96.385","0.003","90","","9103","4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H60 Mg N4 O1.25 S2 -","- C48 H60 Mg N4 O1.25 S2 -","- C384 H480 Mg8 N32 O10 S16 -","8","2","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.6889","synchrotron","","0.1026","0.0746","","","0.1793","0.1956","","","","","","1.037","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514441","12.703","0.003","21.654","0.005","13.282","0.003","90","","90.01","0.02","90","","3653.5","1.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H110 Mg2 N8 -","- C80 H110 Mg2 N8 -","- C160 H220 Mg4 N16 -","2","0.5","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.71073","MoKα","","0.2566","0.0995","","","0.1516","0.2343","","","","","","1.026","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514442","14.0179","0.0004","13.5976","0.0003","21.7756","0.0006","90","","96.842","0.003","90","","4121.08","0.19","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42.5 H61.5 Mg N4 -","- C42.5 H61.5 Mg N4 -","- C170 H246 Mg4 N16 -","4","1","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.71073","MoKα","","0.1027","0.064","","","0.1814","0.1953","","","","","","0.978","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514443","29.36","0.004","29.36","0.004","20.776","0.003","90","","90","","120","","15510","4","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H43 N6 Ni3 O13 -","- C72 H43 N6 Ni3 O13 -","- C432 H258 N36 Ni18 O78 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0988","0.0691","","","0.1739","0.187","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514444","29.87","0.004","29.87","0.004","12.0337","0.0015","90","","90","","120","","9298","2","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H43 N6 Ni3 O13 -","- C72 H43 N6 Ni3 O13 -","- C432 H258 N36 Ni18 O78 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.1412","0.0873","","","0.171","0.1949","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514445","29.884","0.004","29.884","0.004","11.8868","0.0014","90","","90","","120","","9193","2","93","2","93","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H43 N6 Ni3 O13 -","- C72 H43 N6 Ni3 O13 -","- C432 H258 N36 Ni18 O78 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0966","0.0786","","","0.183","0.1938","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514446","29.347","0.002","29.347","0.002","21.287","0.0017","90","","90","","120","","15877","2","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C82 H83 N6 Ni3 O23 -","- C82 H83.08 N6 Ni3 O23 -","- C492 H498.48 N36 Ni18 O138 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0863","0.0727","","","0.2059","0.2214","","","","","","1.075","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514447","29.368","0.002","29.368","0.002","20.868","0.0015","90","","90","","120","","15586.9","1.9","119","2","119","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C90 H115 N6 Ni3 O31 -","- C89.98 H114.98 N6 Ni3 O30.98 -","- C539.88 H689.88 N36 Ni18 O185.88 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0871","0.0767","","","0.205","0.2183","","","","","","1.09","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514448","29.05","0.002","29.05","0.002","24.502","0.002","90","","90","","120","","17907","2","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C108 H127 N18 Ni3 O25 -","- C108 H127 N18 Ni3 O25 -","- C648 H762 N108 Ni18 O150 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0976","0.0785","","","0.2197","0.2405","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514449","29.106","0.003","29.106","0.003","23.417","0.002","90","","90","","120","","17180","3","119","2","119","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C108 H127 N18 Ni3 O25 -","- C108 H127 N18 Ni3 O25 -","- C648 H762 N108 Ni18 O150 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.1246","0.1087","","","0.2907","0.307","","","","","","1.167","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514450","29.151","0.003","29.151","0.003","23.07","0.002","90","","90","","120","","16978","3","119","2","119","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C108 H127 N18 Ni3 O25 -","- C108 H127 N18 Ni3 O25 -","- C648 H762 N108 Ni18 O150 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.1399","0.1056","","","0.2761","0.3069","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514451","28.548","0.004","28.548","0.004","26.592","0.003","90","","90","","120","","18769","4","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C109.5 H80.5 N13.5 Ni3 O13 -","- C109.5 H80.5 N13.5 Ni3 O13 -","- C657 H483 N81 Ni18 O78 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.1926","0.0979","","","0.2434","0.2767","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514452","19.4312","0.001","19.4312","0.001","45.631","0.003","90","","90","","120","","14920.7","1.5","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C57 H34 Co3 N3 O13 -","- C57 H34 Co3 N3 O13 -","- C342 H204 Co18 N18 O78 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0491","0.0461","","","0.1377","0.1396","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514453","25.2196","0.0007","11.8584","0.0004","8.5478","0.0003","90","","90","","90","","2556.34","0.14","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C29 H30 O3 Si -","- C29 H30 O3 Si -","- C116 H120 O12 Si4 -","4","1","","Zhao, Jinbo; Liu, Shasha; Marino, Nadia; Clark, Daniel A.","Regio- and stereoselective trans-silylvinylation of internal alkynes catalyzed by RuHCl(CO)(PCy3)2","Chemical Science","2013","4","4","1547","","10.1039/c3sc22002h","","","1.54178","CuKα","","0.0447","0.0381","","","0.0917","0.0955","","","","","","1.03","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514454","8.8714","0.0005","11.147","0.0006","14.5317","0.0008","102.922","0.003","93.887","0.002","91.677","0.002","1395.96","0.13","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Cl3 Gd N4 O10 -","- C18 H28 Cl3 Gd N4 O10 -","- C36 H56 Cl6 Gd2 N8 O20 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71073","MoKα","","0.0271","0.0232","","","0.0499","0.0516","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514455","13.0075","0.0006","14.8207","0.0007","13.9166","0.0006","90","","102.653","0.002","90","","2617.7","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Er N7 O14 -","- C19 H24 Er N7 O14 -","- C76 H96 Er4 N28 O56 -","4","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71073","MoKα","","0.0745","0.0419","","","0.0745","0.0848","","","","","","0.985","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514456","7.4349","0.0015","10.63","0.002","11.657","0.002","68.02","0.03","88.31","0.03","87.44","0.03","853.4","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 N5 O12 Y -","- C9 H12 N5 O12 Y -","- C18 H24 N10 O24 Y2 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71073","MoKα","","0.1025","0.088","","","0.1492","0.1541","","","","","","1.274","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514457","8.849","0.0018","11.157","0.002","14.564","0.003","103.13","0.03","93.56","0.03","91.72","0.03","1396.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Cl3 N4 O10 Tb -","- C18 H28 Cl3 N4 O10 Tb -","- C36 H56 Cl6 N8 O20 Tb2 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.7109","synchrotron","","0.0567","0.0542","","","0.1355","0.1473","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514458","8.846","0.0018","11.148","0.002","14.527","0.003","102.85","0.03","93.52","0.03","91.86","0.03","1392.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Cl3 Dy N4 O10 -","- C18 H28 Cl3 Dy N4 O10 -","- C36 H56 Cl6 Dy2 N8 O20 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.7107","synchrotron","","0.0344","0.033","","","0.0817","0.0847","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514459","8.87","0.0018","11.12","0.002","14.439","0.003","102.36","0.03","93.95","0.03","91.96","0.03","1386.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Cl3 Ho N4 O10 -","- C18 H32 Cl3 Ho N4 O10 -","- C36 H64 Cl6 Ho2 N8 O20 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71086","synchrotron","","0.0296","0.0277","","","0.072","0.0735","","","","","","1.061","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514460","8.8067","0.0005","11.1745","0.0007","14.5412","0.0009","103.075","0.002","93.297","0.002","91.942","0.002","1389.98","0.15","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Cl3 Er N4 O10 -","- C18 H28 Cl3 Er N4 O10 -","- C36 H56 Cl6 Er2 N8 O20 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71073","MoKα","","0.0317","0.0259","","","0.0519","0.0541","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514461","8.819","0.0018","11.149","0.002","14.491","0.003","102.91","0.03","93.47","0.03","91.88","0.03","1384.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Cl3 N4 O10 Y -","- C18 H28 Cl3 N4 O10 Y -","- C36 H56 Cl6 N8 O20 Y2 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71086","synchrotron","","0.0313","0.0306","","","0.0819","0.0822","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514462","13.0909","0.0018","14.851","0.003","13.916","0.002","90","","102.875","0.004","90","","2637.4","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N7 O14 Tb -","- C19 H24 N7 O14 Tb -","- C76 H96 N28 O56 Tb4 -","4","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71073","MoKα","","0.1102","0.0855","","","0.1857","0.1998","","","","","","1.117","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514463","13.09","0.003","14.792","0.003","13.965","0.003","90","","102.88","0.03","90","","2636","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Dy N7 O14 -","- C19 H24 Dy N7 O14 -","- C76 H96 Dy4 N28 O56 -","4","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.7107","synchrotron","","0.0545","0.045","","","0.1141","0.1195","","","","","","1.083","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514464","13.0407","0.0009","14.8401","0.0009","13.9335","0.0009","90","","102.721","0.002","90","","2630.3","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Ho N7 O14 -","- C19 H24 Ho N7 O14 -","- C76 H96 Ho4 N28 O56 -","4","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71073","MoKα","","0.0859","0.0606","","","0.1224","0.1337","","","","","","1.14","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514465","8.707","0.0002","13.3165","0.0002","13.7802","0.001","90","","100.665","0.007","90","","1570.17","0.13","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Br2 Ni P2 -","- C10 H24 Br2 Ni P2 -","- C40 H96 Br8 Ni4 P8 -","4","1","","Bryan, Zachary J.; McNeil, Anne J.","Evidence for a preferential intramolecular oxidative addition in Ni-catalyzed cross-coupling reactions and their impact on chain-growth polymerizations","Chemical Science","2013","4","4","1620","","10.1039/c3sc00090g","","","1.54178","CuKα","","0.0304","0.0297","","","0.0729","0.0734","","","","","","1.207","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514466","14.4797","0.0014","11.9305","0.0011","13.1126","0.0013","90","","98.591","0.003","90","","2239.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Chlorido(hapto^6^-p-cymene)(N-{4-hydroxyphenyl}-2-pyridinecarbothioamide)osmium(II)] chloride","","- C22 H24 Cl2 N2 O Os S -","- C22 H24 Cl2 N2 O Os S -","- C88 H96 Cl8 N8 O4 Os4 S4 -","4","1","","Meier, Samuel M.; Hanif, Muhammad; Adhireksan, Zenita; Pichler, Verena; Novak, Maria; Jirkovsky, Elisabeth; Jakupec, Michael A.; Arion, Vladimir B.; Davey, Curt A.; Keppler, Bernhard K.; Hartinger, Christian G.","Novel metal(ii) arene 2-pyridinecarbothioamides: a rationale to orally active organometallic anticancer agents","Chemical Science","2013","4","4","1837","","10.1039/c3sc22294b","","","0.71073","MoKα","","0.0425","0.0251","","","0.0485","0.0547","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514467","14.0346","0.0009","8.6278","0.0005","22.7026","0.0013","90","","90.353","0.003","90","","2749","0.3","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[Chlorido(hapto^6^-p-cymene)(N-{4-fluorophenyl}-2-pyridinecarbothioamide)ruthenium(II)] chloride","","- C25 H29 Cl2 F N2 O Ru S -","- C25 H29 Cl2 F N2 O Ru S -","- C100 H116 Cl8 F4 N8 O4 Ru4 S4 -","4","1","","Meier, Samuel M.; Hanif, Muhammad; Adhireksan, Zenita; Pichler, Verena; Novak, Maria; Jirkovsky, Elisabeth; Jakupec, Michael A.; Arion, Vladimir B.; Davey, Curt A.; Keppler, Bernhard K.; Hartinger, Christian G.","Novel metal(ii) arene 2-pyridinecarbothioamides: a rationale to orally active organometallic anticancer agents","Chemical Science","2013","4","4","1837","","10.1039/c3sc22294b","","","0.71073","MoKα","","0.1037","0.0469","","","0.1031","0.124","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514468","12.6611","0.0001","19.0777","0.0001","47.5848","0.0004","90","","90","","90","","11493.8","0.15","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C108 H116 Br6 Co4 N11 O16 -","- C108 H116 Br6 Co4 N11 O16 -","- C432 H464 Br24 Co16 N44 O64 -","4","1","","Zhu, Yuan-Yuan; Cui, Chang; Zhang, Yi-Quan; Jia, Jun-Hua; Guo, Xiao; Gao, Chen; Qian, Kang; Jiang, Shang-Da; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Zero-field slow magnetic relaxation from single Co(ii) ion: a transition metal single-molecule magnet with high anisotropy barrier","Chemical Science","2013","4","4","1802","","10.1039/c3sc21893g","","","0.71073","MoKα","","0.0681","0.045","","","0.1016","0.1078","","","","","","0.971","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1514469","16.163","0.003","20.152","0.004","20.252","0.004","93.07","0.03","90.55","0.03","110.44","0.03","6169","2","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C132 H136 B8 Cl28 Fe4 N32 O36 Re4 -","- C132 H136 B8 Cl28 Fe4 N32 O36 Re4 -","- C132 H136 B8 Cl28 Fe4 N32 O36 Re4 -","1","0.5","","Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay","Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry","Chemical Science","2013","4","4","1658","","10.1039/c3sc50155h","","","0.71073","MoKα","","0.1296","0.0923","","","0.2546","0.2787","","","","","","0.973","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514470","23.705","0.005","9.3657","0.0012","20.454","0.003","90","","118.68","0.009","90","","3983.9","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 B2 Fe N8 O6 -","- C42 H48 B2 Fe N8 O6 -","- C168 H192 B8 Fe4 N32 O24 -","4","0.5","","Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay","Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry","Chemical Science","2013","4","4","1658","","10.1039/c3sc50155h","","","0.71073","MoKα","","0.0572","0.0406","","","0.0794","0.0865","","","","","","1.11","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514471","10.235","0.005","10.862","0.004","16.008","0.006","97.163","0.018","98.93","0.02","93.02","0.02","1739.6","1.3","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H70 B4 Cl10 Fe2 N14 O12 -","- C56 H70 B4 Cl10 Fe2 N14 O12 -","- C56 H70 B4 Cl10 Fe2 N14 O12 -","1","0.5","","Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay","Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry","Chemical Science","2013","4","4","1658","","10.1039/c3sc50155h","","","0.71073","MoKα","","0.1076","0.0728","","","0.1814","0.2018","","","","","","1.111","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514472","24.166","0.004","18.52","0.004","21.805","0.003","90","","105.6","0.018","90","","9399","3","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C56 H48 B2 Fe N8 O14 Zn2 -","- C56 H48 B2 Fe N8 O14 Zn2 -","- C224 H192 B8 Fe4 N32 O56 Zn8 -","4","0.5","","Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay","Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry","Chemical Science","2013","4","4","1658","","10.1039/c3sc50155h","","","0.71073","MoKα","","0.1093","0.0954","","","0.2456","0.2541","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514473","41.856","0.003","41.856","0.003","41.856","0.003","90","","90","","90","","73329","9","113","2","113","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C7 H5 Cu2 I N4 S -","- C7 H5 Cu2 I N4 S -","- C672 H480 Cu192 I96 N384 S96 -","96","1","","Shan, Xiao-chen; Jiang, Fei-long; Yuan, Da-qiang; Zhang, Hua-bin; Wu, Ming-yan; Chen, Lian; Wei, Jing; Zhang, Shu-quan; Pan, Jie; Hong, Mao-chun","A multi-metal-cluster MOF with Cu4I4 and Cu6S6 as functional groups exhibiting dual emission with both thermochromic and near-IR character","Chemical Science","2013","4","4","1484","","10.1039/c3sc21995j","","","0.71073","MoKα","","0.0962","0.0864","","","0.2627","0.2795","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514474","13.7664","0.001","9.367","0.0007","10.8858","0.0008","90","","99.268","0.003","90","","1385.4","0.18","150","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 O6 -","- C15 H18 O6 -","- C60 H72 O24 -","4","0.5","","Urabe, Daisuke; Nagatomo, Masanori; Hagiwara, Koji; Masuda, Kengo; Inoue, Masayuki","Symmetry-driven synthesis of 9-demethyl-10,15-dideoxyryanodol","Chemical Science","2013","4","4","1615","","10.1039/c3sc00023k","","","0.7107","MoKα","","","0.0494","","","","0.184","","","","","","1.003","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514475","9.1857","0.0014","10.7306","0.0016","17.807","0.003","90","","94.071","0.002","90","","1750.8","0.5","93","0.2","93","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 O7 -","- C19 H32 O7 -","- C76 H128 O28 -","4","1","","Urabe, Daisuke; Nagatomo, Masanori; Hagiwara, Koji; Masuda, Kengo; Inoue, Masayuki","Symmetry-driven synthesis of 9-demethyl-10,15-dideoxyryanodol","Chemical Science","2013","4","4","1615","","10.1039/c3sc00023k","","","0.71073","MoKα","","0.0522","0.0394","","","0.0907","0.0967","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514476","11.462","","12.501","","13.164","","109.79","","108.38","","90.82","","1668.73","","373","2","373","2","","","","","","","","7","P -1","-P 1","2","AEK1052","","","- C31 H28 Cl0 Co F12 N6 P2 -","- C31 H28 Co F12 N6 P2 -","- C62 H56 Co2 F24 N12 P4 -","2","1","","King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J.","A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway","Chemical Science","2013","4","4","1578","","10.1039/c3sc22239j","","","0.71073","MoKα","","0.0523","0.0399","","","0.0975","0.1069","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514477","10.9829","0.0008","13.7142","0.0009","17.0064","0.0013","102.458","0.005","107.971","0.005","101.25","0.005","2282.8","0.3","373","2","373","2","","","","","","","","5","P -1","-P 1","2","AEK1071_0m","","","- C53 H45 B Co N5 -","- C53 H45 B Co N5 -","- C106 H90 B2 Co2 N10 -","2","1","","King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J.","A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway","Chemical Science","2013","4","4","1578","","10.1039/c3sc22239j","","","1.54178","CuKα","","0.0957","0.0625","","","0.1524","0.1685","","","","","","0.997","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514478","11.94","0.0003","12.822","0.0003","15.328","0.0003","65.696","0.001","78.915","0.001","66.557","0.001","1960.99","0.08","373","2","373","2","","","","","","","","8","P -1","-P 1","2","AEK1145CoOAc","","","- C33 H28 Cl0 Co F6 N5 O8 S2 -","- C33 H28 Co F6 N5 O8 S2 -","- C66 H56 Co2 F12 N10 O16 S4 -","2","1","","King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J.","A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway","Chemical Science","2013","4","4","1578","","10.1039/c3sc22239j","","","0.71073","MoKα","","0.0412","0.0362","","","0.0922","0.0946","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514479","17.791","","16.341","","27.415","","90","","97.47","","90","","7902.52","","373","2","373","2","","","","","","","","8","C 1 c 1","C -2yc","9","AEK1145Co","","","- C144 H130 B4 Co4 F40 N30 O24 S8 -","- C144 H130 B4 Co4 F40 N30 O24 S8 -","- C288 H260 B8 Co8 F80 N60 O48 S16 -","2","0.5","","King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J.","A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway","Chemical Science","2013","4","4","1578","","10.1039/c3sc22239j","","","0.71073","MoKα","","0.0761","0.0692","","","0.188","0.1975","","","","","","1.047","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514480","15.7015","0.0005","12.8679","0.0003","18.0196","0.0006","90","","105.064","0.001","90","","3515.66","0.18","113","1","113","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H68 B4 F16 N16 O4 -","- C55 H68 B4 F16 N16 O4 -","- C110 H136 B8 F32 N32 O8 -","2","0.5","","Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L.","A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media","Chemical Science","2013","4","4","1560","","10.1039/c3sc22144j","","","0.710747","MoKα","","0.1138","0.105","","","0.2782","0.2881","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514481","19.726","0.009","15.697","0.006","22.564","0.009","90","","101.404","0.006","90","","6849","5","113","1","113","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H64 B F4 N16 O7 P2 -","- C54 H64 B F4 N16 O7 P2 -","- C216 H256 B4 F16 N64 O28 P8 -","4","1","","Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L.","A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media","Chemical Science","2013","4","4","1560","","10.1039/c3sc22144j","","","0.710747","MoKα","","0.1617","0.0924","","","0.2326","0.2684","","","","","","0.946","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514482","20.554","0.006","16.552","0.005","31.568","0.01","90","","93.445","0.007","90","","10720","6","113","1","113","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C162 H200 B8 F32 N48 O16 P4 -","- C162 H200 B8 F32 N48 O16 P4 -","- C324 H400 B16 F64 N96 O32 P8 -","2","0.5","","Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L.","A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media","Chemical Science","2013","4","4","1560","","10.1039/c3sc22144j","","","0.710747","MoKα","","0.1924","0.0981","","","0.2262","0.2681","","","","","","0.939","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514483","14.073","0.003","21.02","0.004","19.083","0.004","90","","90","","90","","5645","2","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","[Cl2iPr2Cu]2(u-S(CH2)3S)","","","- C57 H74 Cl4 Cu2 N4 S2 -","- C57 H74 Cl4 Cu2 N4 S2 -","- C228 H296 Cl16 Cu8 N16 S8 -","4","0.5","","Zhang, Shiyu; Warren, Timothy H.","Three coordinate models for the binuclear CuA electron-transfer site","Chemical Science","2013","4","4","1786","","10.1039/c3sc21936d","","","0.71073","MoKα","","0.1098","0.0686","","","0.1225","0.1342","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514484","52.089","0.01","8.9421","0.0017","35.545","0.007","90","","129.297","0.002","90","","12813","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cl2iPr2Cu]2(u-S(CH2)4S)","","","- C58 H76 Cl4 Cu2 N4 S2 -","- C58 H76 Cl4 Cu2 N4 S2 -","- C464 H608 Cl32 Cu16 N32 S16 -","8","1","","Zhang, Shiyu; Warren, Timothy H.","Three coordinate models for the binuclear CuA electron-transfer site","Chemical Science","2013","4","4","1786","","10.1039/c3sc21936d","","","0.71073","MoKα","","0.0921","0.0541","","","0.1155","0.1286","","","","","","0.974","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514485","9.26","0.012","24.43","0.03","15.506","0.019","90","","100.133","0.017","90","","3453","7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cl2iPrCu]SCH2CH2Ph","","","- C35 H43 Cl2 Cu N2 S -","- C35 H43 Cl2 Cu N2 S -","- C140 H172 Cl8 Cu4 N8 S4 -","4","1","","Zhang, Shiyu; Warren, Timothy H.","Three coordinate models for the binuclear CuA electron-transfer site","Chemical Science","2013","4","4","1786","","10.1039/c3sc21936d","","","0.71073","MoKα","","0.1335","0.0726","","","0.1684","0.1908","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514486","18.9604","0.001","9.3522","0.0006","19.2687","0.0012","90","","90","","90","","3416.8","0.4","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-phenyl-3-(α-hydroxybenzyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol- 2-ium chloride deuterohydrate","","- C18 H18 Cl D2 N3 O2 -","- C18 H18 Cl D2 N3 O2 -","- C144 H144 Cl8 D16 N24 O16 -","8","1","","Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D.","Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent","Chemical Science","2013","4","4","1514","","10.1039/c2sc22137c","","","0.71073","MoKα","","0.0391","0.0303","","","0.0731","0.0798","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514487","19.2697","0.0016","9.5129","0.0008","19.6896","0.0016","90","","90","","90","","3609.3","0.5","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-phenyl-3-(α-hydroxy-paramethylbenzyl)-6,7-dihydro-5H-pyrrolo[2,1- c][1,2,4]triazol-2-ium chloride deuterohydrate","","- C19 H20 Cl D2 N3 O2 -","- C19 H20 Cl D2 N3 O2 -","- C152 H160 Cl8 D16 N24 O16 -","8","1","","Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D.","Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent","Chemical Science","2013","4","4","1514","","10.1039/c2sc22137c","","","0.71073","MoKα","","0.1355","0.0475","","","0.0938","0.1198","","","","","","0.905","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514488","18.8845","0.0008","9.4266","0.0004","19.2915","0.0009","90","","90","","90","","3434.2","0.3","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","2-phenyl-3-(α-hydroxy-parafluorobenzyl)-6,7-dihydro-5H-pyrrolo[2,1- c][1,2,4]triazol-2-ium chloride deuterohydrate","","- C18 H17 Cl D2 F N3 O2 -","- C18 H17 Cl D2 F N3 O2 -","- C144 H136 Cl8 D16 F8 N24 O16 -","8","1","","Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D.","Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent","Chemical Science","2013","4","4","1514","","10.1039/c2sc22137c","","","0.71073","MoKα","","0.0439","0.0319","","","0.0773","0.0863","","","","","","1.068","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514489","10.1903","0.0006","12.5783","0.0008","27.2498","0.0017","90","","96.4952","0.0008","90","","3470.4","0.4","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[ONOq]FeCl2","","- C35 H48 Cl2 Fe N O2 -","- C35 H48 Cl2 Fe N O2 -","- C140 H192 Cl8 Fe4 N4 O8 -","4","1","","Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Disulfide reductive elimination from an iron(iii) complex","Chemical Science","2013","4","4","1906","","10.1039/c3sc22335c","","","0.71073","MoKα","","0.0539","0.0341","","","0.073","0.0802","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514490","11.9269","0.0007","17.5744","0.001","24.1583","0.0013","90","","111.583","0.0006","90","","4708.7","0.5","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[ONOq]Fe[N(SiMe3)2]2","","- C40 H76 Fe N3 O2 Si4 -","- C40 H76 Fe N3 O2 Si4 -","- C160 H304 Fe4 N12 O8 Si16 -","4","1","","Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Disulfide reductive elimination from an iron(iii) complex","Chemical Science","2013","4","4","1906","","10.1039/c3sc22335c","","","0.71073","MoKα","","0.036","0.0297","","","0.0705","0.0737","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514491","14.8709","0.0008","15.747","0.0008","17.9214","0.001","94.0663","0.0007","111.428","0.0007","95.5142","0.0007","3863","0.4","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","{[ONO]Fe(ortho-C6O2Cl4)}2","","- C75.5 H98 Cl8 Fe2 N2 O8 -","- C75.5 H98 Cl8 Fe2 N2 O8 -","- C151 H196 Cl16 Fe4 N4 O16 -","2","1","","Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Disulfide reductive elimination from an iron(iii) complex","Chemical Science","2013","4","4","1906","","10.1039/c3sc22335c","","","0.71073","MoKα","","0.0676","0.0401","","","0.0899","0.0999","","","","","","1.019","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514492","12.6068","0.0011","24.431","0.002","16.6177","0.0014","90","","111.803","0.0009","90","","4752.1","0.7","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[ONOq]Fe(ortho-C6O2Cl4)(py)","","- C43 H55 Cl4 Fe N2 O5 -","- C43 H55 Cl4 Fe N2 O5 -","- C172 H220 Cl16 Fe4 N8 O20 -","4","1","","Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Disulfide reductive elimination from an iron(iii) complex","Chemical Science","2013","4","4","1906","","10.1039/c3sc22335c","","","0.71073","MoKα","","0.0916","0.061","","","0.1486","0.1709","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514493","14.1943","0.001","14.2798","0.001","17.1104","0.0013","90","","113.995","0.0009","90","","3168.4","0.4","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[ONOcat]Fe(py)3","","- C66 H90 Fe2 N4 O4 -","- C66 H90 Fe2 N4 O4 -","- C132 H180 Fe4 N8 O8 -","2","0.5","","Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Disulfide reductive elimination from an iron(iii) complex","Chemical Science","2013","4","4","1906","","10.1039/c3sc22335c","","","0.71073","MoKα","","0.0595","0.0413","","","0.1024","0.1125","","","","","","1.008","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514494","14.0101","0.0006","15.7187","0.0007","19.934","0.0008","90","","97.6912","0.0005","90","","4350.4","0.3","88","2","88","2","","","","","","","","5","P 1 21 1","P 2yb","4","","{[ONOcat]Fe(py)}2","","- C45 H58 Fe N5 O2 -","- C45 H58 Fe N5 O2 -","- C180 H232 Fe4 N20 O8 -","4","2","","Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Disulfide reductive elimination from an iron(iii) complex","Chemical Science","2013","4","4","1906","","10.1039/c3sc22335c","","","0.71073","MoKα","","0.0426","0.0354","","","0.0841","0.0877","","","","","","1.014","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514495","11.4287","0.0018","11.7031","0.0018","12.918","0.002","64.005","0.003","89.783","0.003","71.129","0.003","1450.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 Cu3 N8 O0 -","- C26 H27 Cu3 N8 -","- C52 H54 Cu6 N16 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","0.71073","MoKα","","0.088","0.0641","","","0.1575","0.1868","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514496","11.4262","0.0005","11.4509","0.0005","12.5243","0.0007","66.62","0.005","89.182","0.004","69.908","0.004","1398.37","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 Cu3 N8 O0 -","- C20 H21 Cu3 N8 -","- C40 H42 Cu6 N16 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","1.54184","CuKα","","0.0793","0.0621","","","0.194","0.217","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514497","11.4964","0.0006","11.3571","0.0006","12.9352","0.0007","115.386","0.005","91.133","0.004","69.305","0.005","1409.92","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Cu3 N8 O2 -","- C22 H26 Cu3 N8 O2 -","- C44 H52 Cu6 N16 O4 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","0.71073","MoKα","","0.0483","0.0352","","","0.1096","0.1258","","","","","","0.892","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514498","11.5152","0.0003","11.312","0.0004","12.6953","0.0004","114.171","0.003","91.497","0.003","68.347","0.003","1386.93","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Cu3 N8 O2 -","- C22 H26 Cu3 N8 O2 -","- C44 H52 Cu6 N16 O4 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","0.71073","MoKα","","0.042","0.0371","","","0.1306","0.1364","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514499","11.4723","0.0007","11.4569","0.0007","13.1199","0.0008","64.295","0.006","89.824","0.005","110.147","0.006","1434.83","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 Cu3 N8 O2 -","- C24 H29 Cu3 N8 O2 -","- C48 H58 Cu6 N16 O4 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","0.71073","MoKα","","0.0501","0.0372","","","0.103","0.1144","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514500","11.4507","0.0006","11.6026","0.0005","13.2025","0.0007","65.36","0.005","71.368","0.005","71.461","0.004","1475.62","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H33 Cu3 N8 -","- C26 H33 Cu3 N8 -","- C52 H66 Cu6 N16 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","0.71073","MoKα","","0.0787","0.0464","","","0.1083","0.1263","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514501","11.37","0.0004","11.4274","0.0005","12.1912","0.0006","67.952","0.004","87.743","0.003","69.803","0.003","1370.45","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Cu3 N9 O -","- C22 H24 Cu3 N9 O -","- C44 H48 Cu6 N18 O2 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","0.71073","MoKα","","0.0689","0.057","","","0.189","0.2077","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514503","9.2584","0.0006","9.2584","0.0006","14.1473","0.0017","90","","90","","90","","1212.68","0.18","298","2","298","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- C15 Cl2 N5 Ni O8 -","- C15 Cl2 N5 Ni O8 -","- C30 Cl4 N10 Ni2 O16 -","2","0.125","","Cho, Jaeheung; Kang, Hye Yeon; Liu, Lei V.; Sarangi, Ritimukta; Solomon, Edward I.; Nam, Wonwoo","Mononuclear nickel(II)-superoxo and nickel(III)-peroxo complexes bearing a common macrocyclic TMC ligand.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","4","1502","1508","10.1039/C3SC22173C","","","0.71073","MoKα","","0.0815","0.0612","","","0.1594","0.1651","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514504","7.7299","0.0002","7.7263","0.0002","17.8514","0.0005","90","","100.673","0.002","90","","1047.7","0.05","170","2","170","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C15 H33 Cl N5 Ni O6 -","- C15 H33 Cl N5 Ni O6 -","- C30 H66 Cl2 N10 Ni2 O12 -","2","1","","Cho, Jaeheung; Kang, Hye Yeon; Liu, Lei V.; Sarangi, Ritimukta; Solomon, Edward I.; Nam, Wonwoo","Mononuclear nickel(II)-superoxo and nickel(III)-peroxo complexes bearing a common macrocyclic TMC ligand.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","4","1502","1508","10.1039/C3SC22173C","","","0.71073","MoKα","","0.0445","0.036","","","0.0762","0.0801","","","","","","0.98","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514505","19.437","0.0002","19.437","0.0002","18.1371","0.0002","90","","90","","120","","5934.13","0.11","173","","173","","","","","","","","","7","P 63","P 6c","173","","","","- C42 H44 F6 Ir N2 O2 P2 -","- C42 H44 F6 Ir N2 O2 P2 -","- C252 H264 F36 Ir6 N12 O12 P12 -","6","1","","Schramm, York; Barrios-Landeros, Fabiola; Pfaltz, Andreas","Discovery of an iridacycle catalyst with improved reactivity and enantioselectivity in the hydrogenation of dialkyl ketimines","Chemical Science","2013","4","7","2760","","10.1039/c3sc50587a","","","0.71073","MoKα","","0.0497","0.0216","","0.0234","0.0196","0.0196","","","","","","0.7012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514506","8.6182","0.0001","12.4254","0.0001","20.8694","0.0002","90","","90","","90","","2234.79","0.04","150","","150","","","","","","","","synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 Br N2 O2 S -","- C26 H19 Br N2 O2 S -","- C104 H76 Br4 N8 O8 S4 -","4","1","","Li, Meiling; Woods, Philip A.; Smith, Martin D.","Cation-directed enantioselective synthesis of quaternary-substituted indolenines","Chemical Science","2013","4","7","2907","","10.1039/c3sc50592h","","","0.71073","MoKα","","0.0522","0.0419","","0.0804","0.0752","0.0804","","","","","","0.9781","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514507","12.6892","0.0003","9.9361","0.0003","16.3936","0.0004","90","","102.515","0.0017","90","","2017.81","0.09","150","","150","","","","","","","","syn","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N3 -","- C27 H19 N3 -","- C108 H76 N12 -","4","1","","Li, Meiling; Woods, Philip A.; Smith, Martin D.","Cation-directed enantioselective synthesis of quaternary-substituted indolenines","Chemical Science","2013","4","7","2907","","10.1039/c3sc50592h","","","0.71073","MoKα","","0.0687","0.0502","","0.138","0.1216","0.138","","","","","","0.9481","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514508","11.049","0.003","13.43","0.004","18.364","0.005","105.567","0.004","91.091","0.004","106.254","0.004","2507","1.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H2 Cl16 -","- C72 H2 Cl16 -","- C144 H4 Cl32 -","2","1","","Tan, Yuan-Zhi; Li, Jia; Du, Ming-Yue; Lin, Shui-Chao; Xie, Su-Yuan; Lu, Xin; Huang, Rong-Bin; Zheng, Lan-Sun","Exohedrally stabilized C70 isomer with adjacent pentagons characterized by crystallography","Chemical Science","2013","4","7","2967","","10.1039/c3sc50141h","","","0.71073","MoKα","","0.1057","0.0867","","","0.2162","0.2342","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514509","27.658","0.01","39.485","0.013","42.581","0.015","90","","106.741","0.005","90","","44531","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C368 H360 B16 Co8 F64 N72 O40 -","- C368 H344 B12 Co8 F48 N72 O40 -","- C1472 H1376 B48 Co32 F192 N288 O160 -","4","0.5","","Whitehead, Martina; Turega, Simon; Stephenson, Andrew; Hunter, Christopher A.; Ward, Michael D.","Quantification of solvent effects on molecular recognition in polyhedral coordination cage hosts","Chemical Science","2013","4","7","2744","","10.1039/c3sc50546d","","","0.71073","MoKα","","0.2161","0.1761","","","0.4464","0.477","","","","","","1.645","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514510","16.5029","0.0002","7.0004","0.0001","17.5337","0.0002","90","","103.817","0.001","90","","1967","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N O6 -","- C23 H21 N O6 -","- C92 H84 N4 O24 -","4","2","","Corbett, Michael T.; Johnson, Jeffrey S.","Enantioselective synthesis of hindered cyclic dialkyl ethers via catalytic oxa-Michael/Michael desymmetrization.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2828","2832","10.1039/C3SC51022K","","","1.54178","CuKα","","0.0304","0.0294","","","0.0744","0.0754","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514511","11.3881","0.001","13.7611","0.0013","15.9461","0.0016","90","","90","","90","","2499","0.4","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O6 -","- C28 H40 O6 -","- C112 H160 O24 -","4","1","","Liffert, Raphael; Hoecker, Johannes; Jana, Chandan K.; Woods, Tom M.; Burch, Patrick; Jessen, Henning J.; Neuburger, Markus; Gademann, Karl","Withanolide A: synthesis and structural requirements for neurite outgrowth","Chemical Science","2013","4","7","2851","","10.1039/c3sc50653c","","","0.71073","MoKα","","0.0593","0.0394","","0.0673","0.0419","0.0405","","","","","","1.1096","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514512","6.4731","0.0003","9.867","0.0004","41.104","0.0018","90","","90","","90","","2625.3","0.2","173.2","","173.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Br2 N O4 -","- C27 H29 Br2 N O4 -","- C108 H116 Br8 N4 O16 -","4","1","","Wang, Hengbin; Guptill, David M.; Alvarez, Adrian Varela; Musaev, Djamaladdin G.; Davies, Huw M. L.","Rhodium-catalyzed enantioselective cyclopropanation of electron deficient alkenes.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2844","2850","10.1039/C3SC50425E","","","0.71073","MoKα","","0.0782","0.0687","","","0.1594","0.1629","","","","","","1.14","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514513","6.0402","0.0002","15.4144","0.0004","20.729","0.0008","90","","90","","90","","1930","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br O4 -","- C21 H21 Br O4 -","- C84 H84 Br4 O16 -","4","1","","Wang, Hengbin; Guptill, David M.; Alvarez, Adrian Varela; Musaev, Djamaladdin G.; Davies, Huw M. L.","Rhodium-catalyzed enantioselective cyclopropanation of electron deficient alkenes.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2844","2850","10.1039/C3SC50425E","","","0.71073","MoKα","","0.0604","0.0382","","","0.0837","0.0916","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514514","12.7242","0.0005","20.3878","0.0008","23.2389","0.0009","90","","97.497","0.001","90","","5977.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Rh(I)Rh(III)tfepma2Cl4(CNAd)2","","","- C40 H52 Cl4 F24 N3 O8 P4 Rh2 -","- C40 H52 Cl4 F24 N4 O8 P4 Rh2 -","- C160 H208 Cl16 F96 N16 O32 P16 Rh8 -","4","1","","Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G.","Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2880","","10.1039/C3SC50462J","","","0.71073","MoKα","","0.0747","0.0479","","","0.1065","0.1231","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514515","10.1595","0.0009","10.386","0.001","12.0283","0.0011","73.962","0.002","69.049","0.001","71.477","0.002","1104.74","0.18","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C25 H26 Cl2 F25 N3 O8 P4 Rh2 -","- C25 H26 Cl2 F25 N3 O8 P4 Rh2 -","- C25 H26 Cl2 F25 N3 O8 P4 Rh2 -","1","1","","Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G.","Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2880","","10.1039/C3SC50462J","","","0.71073","MoKα","","0.0439","0.0367","","","0.0806","0.0849","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514516","12.0403","0.0008","19.3984","0.0013","20.6248","0.0014","90","","106.961","0.001","90","","4607.7","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Cl2 F24 N3 O9 P4 Rh2 -","- C26 H29 Cl2 F24 N3 O9 P4 Rh2 -","- C104 H116 Cl8 F96 N12 O36 P16 Rh8 -","4","1","","Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G.","Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2880","","10.1039/C3SC50462J","","","0.71073","MoKα","","0.0674","0.0403","","","0.086","0.1006","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514517","12.2025","0.0013","21.385","0.002","20.398","0.002","90","","98.351","0.002","90","","5266.4","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl4 F25 N3 O8 P4 Rh2 -","- C25 H26 Cl4 F25 N3 O8 P4 Rh2 -","- C100 H104 Cl16 F100 N12 O32 P16 Rh8 -","4","1","","Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G.","Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2880","","10.1039/C3SC50462J","","","0.71073","MoKα","","0.0915","0.0745","","","0.1924","0.2042","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514518","10.7825","0.0005","15.2029","0.0008","18.7253","0.0009","87.983","0.001","80.065","0.001","73.223","0.001","2894.5","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H37 Cl4 F24 N3 O9 P4 Rh2 -","- C33 H37 Cl4 F24 N3 O9 P4 Rh2 -","- C66 H74 Cl8 F48 N6 O18 P8 Rh4 -","2","1","","Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G.","Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2880","","10.1039/C3SC50462J","","","0.71073","MoKα","","0.0656","0.0542","","","0.1486","0.1598","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514519","23.3192","0.0017","28.2","0.002","30.215","0.002","90","","90","","90","","19869","2","150","2","150","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C62 H135 Mn Mo6 N6 O26 -","- C53.8 H111.4 Mn Mo6 N5.5 O25.3 -","- C430.4 H891.2 Mn8 Mo48 N44 O202.4 -","8","1","","Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy","A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials","Chemical Science","2013","4","10","3810","","10.1039/c3sc51618k","","","0.71073","MoKα","","0.1506","0.0913","","","0.2965","0.3334","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514520","18.0136","0.0006","26.3164","0.0009","26.5199","0.0009","113.089","0.002","102.13","0.002","100.729","0.002","10790.7","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H152 Mn Mo6 N9 O26 -","- C92.85 H141.25 Mn Mo6 N9 O26 -","- C371.4 H565 Mn4 Mo24 N36 O104 -","4","2","","Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy","A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials","Chemical Science","2013","4","10","3810","","10.1039/c3sc51618k","","","0.71073","MoKα","","0.0646","0.0415","","","0.0998","0.117","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514521","27.455","0.003","29.007","0.003","24.974","0.002","90","","94.45","0.005","90","","19829","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H153 Mn Mo6 N8 O28 -","- C73.45 H126.3 Mn Mo6 N6.55 O26.65 -","- C587.6 H1010.4 Mn8 Mo48 N52.4 O213.2 -","8","2","","Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy","A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials","Chemical Science","2013","4","10","3810","","10.1039/c3sc51618k","","","0.71073","MoKα","","0.0924","0.0802","","","0.1796","0.1843","","","","","","1.17","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514522","28.257","0.002","21.8128","0.0016","16.5796","0.0014","90","","90","","90","","10219.1","1.4","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C80 H155 Mn Mo6 N8 O29 -","- C58 H61.6 Mn Mo6 N5.9 O25.6 -","- C232 H246.4 Mn4 Mo24 N23.6 O102.4 -","4","0.5","","Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy","A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials","Chemical Science","2013","4","10","3810","","10.1039/c3sc51618k","","","0.71073","MoKα","","0.1193","0.0823","","","0.2554","0.2777","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514523","8.3357","0.0013","11.294","0.002","9.9646","0.0017","90","","103.551","0.008","90","","912","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C38 H50 N2 O8 -","2","1","","Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J.","One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity","Chemical Science","2013","4","10","3845","","10.1039/c3sc51785c","","","1.54178","CuKα","","0.0494","0.0467","","","0.1226","0.1261","","","","","","1.08","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514524","7.3372","0.0007","22.647","0.003","20.618","0.002","90","","90.112","0.006","90","","3426","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C152 H184 N8 O32 -","8","4","","Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J.","One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity","Chemical Science","2013","4","10","3845","","10.1039/c3sc51785c","","","1.54178","CuKα","","0.0517","0.0452","","","0.1139","0.1191","","","","","","1.032","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514525","9.0939","0.0016","30.695","0.005","9.139","0.0016","90","","94.405","0.005","90","","2543.5","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C104 H152 N8 O24 -","8","4","","Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J.","One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity","Chemical Science","2013","4","10","3845","","10.1039/c3sc51785c","","","1.54178","CuKα","","0.0294","0.0294","","","0.0759","0.0759","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514526","9.7614","0.001","10.2988","0.001","10.4722","0.0011","80.745","0.008","71.023","0.009","89.009","0.008","981.91","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Cl3 N2 O3 -","- C17 H17 Cl3 N2 O3 -","- C34 H34 Cl6 N4 O6 -","2","1","","Cui, Sunliang; Zhang, Yan; Wang, Dahai; Wu, Qifan","Rh(iii)-catalyzed C–H activation/[4 + 3] cycloaddition of benzamides and vinylcarbenoids: facile synthesis of azepinones","Chemical Science","2013","4","10","3912","","10.1039/c3sc51777b","","","0.71073","MoKα","","0.1546","0.1187","","","0.3593","0.4023","","","","","","1.494","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514527","11.8239","0.0004","14.7954","0.0005","15.4075","0.0005","99.322","0.001","110.839","0.001","91.577","0.001","2475.17","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H61 B11 Br6 F P Ru Si -","- C35 H61 B11 Br6 F P Ru Si -","- C70 H122 B22 Br12 F2 P2 Ru2 Si2 -","2","1","","Fasulo, Meg E.; Lipke, Mark C.; Tilley, T. Don","Structural and mechanistic investigation of a cationic hydrogen-substituted ruthenium silylene catalyst for alkene hydrosilation","Chemical Science","2013","4","10","3882","","10.1039/c3sc51585k","","","0.71073","MoKα","","0.0477","0.0471","","","0.1333","0.1338","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514528","9.8107","0.0003","12.2952","0.0003","13.4212","0.0004","93.235","0.001","91.814","0.001","91.35","0.001","1615.01","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Co(bpy2py)OTf)OTf*0.75CH3CN","","","- C30.5 H23.25 Co F6 N5.75 O6 S2 -","- C30.5 H23.25 Co F6 N5.75 O6 S2 -","- C61 H46.5 Co2 F12 N11.5 O12 S4 -","2","1","","Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R.","Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe","Chemical Science","2013","4","10","3934","","10.1039/c3sc51660a","","","0.71073","MoKα","","0.0445","0.0361","","","0.0925","0.099","","","","","","1.073","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514529","11.605","0.003","26.456","0.006","12.584","0.003","90","","114.443","0.003","90","","3517.3","1.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Ni(bpy2py)(CH3CN)]*1.5PF6*0.5BF4*Et2O","","","- C33 H30.5 B0.5 F11 N7 Ni O0.5 P1.5 -","- C33 H30.5 B0.5 F11 N7 Ni O0.5 P1.5 -","- C132 H122 B2 F44 N28 Ni4 O2 P6 -","4","1","","Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R.","Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe","Chemical Science","2013","4","10","3934","","10.1039/c3sc51660a","","","0.71073","MoKα","","0.055","0.0515","","","0.1394","0.1423","","","","","","1.052","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514530","9.9247","0.0006","13.1783","0.0008","14.849","0.0009","66.577","0.002","80.638","0.002","81.873","0.002","1752.01","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Cu(bpy2py))2OTf*2CH3CN","","","- C33 H27 Cu F6 N7 O6 S2 -","- C33 H27 Cu F6 N7 O6 S2 -","- C66 H54 Cu2 F12 N14 O12 S4 -","2","1","","Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R.","Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe","Chemical Science","2013","4","10","3934","","10.1039/c3sc51660a","","","0.71073","MoKα","","0.0348","0.0317","","","0.0838","0.0858","","","","","","1.06","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514531","9.829","0.0003","12.2969","0.0003","13.4196","0.0004","92.874","0.001","91.805","0.001","91.232","0.001","1618.7","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Zn(bpy2py)OTf)OTf*CH3CN","","","- C31 H24 F6 N6 O6 S2 Zn -","- C31 H24 F6 N6 O6 S2 Zn -","- C62 H48 F12 N12 O12 S4 Zn2 -","2","1","","Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R.","Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe","Chemical Science","2013","4","10","3934","","10.1039/c3sc51660a","","","0.71073","MoKα","","0.0303","0.0284","","","0.0786","0.0798","","","","","","1.085","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514532","10.1178","0.0002","10.1848","0.0002","18.5692","0.0004","93.06","0.001","101.838","0.001","106.548","0.001","1782.45","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Co(bpy2pyCF3)OTf)OTf*5CH3CN","","","- C32 H23 Co F9 N6 O6 S2 -","- C32 H23 Co F9 N6 O6 S2 -","- C64 H46 Co2 F18 N12 O12 S4 -","2","1","","Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R.","Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe","Chemical Science","2013","4","10","3934","","10.1039/c3sc51660a","","","0.71073","MoKα","","0.0397","0.0332","","","0.0783","0.0817","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514533","6.939","0.004","18.9","0.009","19.529","0.011","90","","90","","90","","2561","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Br2 N O6 -","- C27 H23 Br2 N O6 -","- C108 H92 Br8 N4 O24 -","4","1","","Frazier, Charles P.; Sandoval, David; Palmer, Leoni I.; Read de Alaniz, Javier","Electrophilic α-oxygenation reaction of β-ketoesters using N-hydroxycarbamates: control of the ambident reactivity of nitrosoformate intermediates","Chemical Science","2013","4","10","3857","","10.1039/c3sc51658j","","","0.71073","MoKα","","0.2205","0.0951","","","0.1869","0.2325","","","","","","0.962","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514534","9.8524","0.0004","15.9675","0.0005","10.5673","0.0003","90","","92.813","0.002","90","","1660.43","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 N O6 -","- C16 H25 N O6 -","- C64 H100 N4 O24 -","4","1","","Frazier, Charles P.; Sandoval, David; Palmer, Leoni I.; Read de Alaniz, Javier","Electrophilic α-oxygenation reaction of β-ketoesters using N-hydroxycarbamates: control of the ambident reactivity of nitrosoformate intermediates","Chemical Science","2013","4","10","3857","","10.1039/c3sc51658j","","","0.71073","MoKα","","0.0351","0.0316","","","0.0733","0.0759","","","","","","0.99","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514535","10.4149","0.0008","13.7246","0.0011","24.603","0.0019","90","","90","","90","","3516.8","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H60 O6 -","- C37 H59.6 O6 -","- C148 H238.4 O24 -","4","1","","Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao","Synthetic access toward the diverse ginsenosides","Chemical Science","2013","4","10","3899","","10.1039/c3sc51479j","","","0.71073","MoKα","","0.0769","0.0516","","","0.1289","0.1432","","","","","","1.006","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514536","8.7254","0.0017","9.5176","0.0019","12.415","0.003","89.65","0.03","80.46","0.03","70.65","0.03","958","0.4","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C38 H62 O9 -","- C38 H62 O9 -","- C38 H62 O9 -","1","1","","Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao","Synthetic access toward the diverse ginsenosides","Chemical Science","2013","4","10","3899","","10.1039/c3sc51479j","","","1.54178","CuKα","","0.0486","0.048","","","0.1401","0.1413","","","","","","1.092","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514537","9.3808","0.0007","13.5353","0.0011","32.994","0.003","90","","90","","90","","4189.3","0.6","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H71 Cl O5 Si -","- C41 H71 Cl O5 Si -","- C164 H284 Cl4 O20 Si4 -","4","1","","Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao","Synthetic access toward the diverse ginsenosides","Chemical Science","2013","4","10","3899","","10.1039/c3sc51479j","","","0.71073","MoKα","","0.0465","0.0375","","","0.0899","0.0942","","","","","","1.022","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514538","11.2356","0.0002","11.9742","0.0003","24.8296","0.0006","90","","93.447","0.001","90","","3334.46","0.13","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34.5 H57 Cl O5 -","- C34.5 H57 Cl O5 -","- C138 H228 Cl4 O20 -","4","2","","Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao","Synthetic access toward the diverse ginsenosides","Chemical Science","2013","4","10","3899","","10.1039/c3sc51479j","","","1.54178","CuKα","","0.0514","0.0503","","","0.1435","0.1446","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514539","10.911","0.002","12.339","0.002","15.869","0.005","103.994","0.004","97.621","0.004","107.921","0.003","1922.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H57 N5 Ni -","- C43 H57 N5 Ni -","- C86 H114 N10 Ni2 -","2","1","","Harrold, Nicole D.; Hillhouse, Gregory L.","Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand","Chemical Science","2013","4","10","4011","","10.1039/c3sc51517f","","","0.71073","MoKα","","0.0637","0.0455","","","0.0956","0.1006","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514540","13.207","0.001","17.694","0.0014","21.9242","0.0017","90","","90","","90","","5123.3","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H77 N5 Ni -","- C56 H77 N5 Ni -","- C224 H308 N20 Ni4 -","4","1","","Harrold, Nicole D.; Hillhouse, Gregory L.","Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand","Chemical Science","2013","4","10","4011","","10.1039/c3sc51517f","","","0.71073","MoKα","","0.0479","0.0428","","","0.0963","0.0984","","","","","","1.013","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514541","14.779","0.002","15.5","0.002","16.733","0.003","92.788","0.004","98.247","0.003","100.522","0.004","3718.6","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C146 H136 B2 F40 N10 Ni2 -","- C146 H136 B2 F40 N10 Ni2 -","- C146 H136 B2 F40 N10 Ni2 -","1","0.5","","Harrold, Nicole D.; Hillhouse, Gregory L.","Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand","Chemical Science","2013","4","10","4011","","10.1039/c3sc51517f","","","0.71073","MoKα","","0.1879","0.0879","","","0.2298","0.2498","","","","","","1.001","","","","has coordinates","288253","2023-12-12","14:36:06",""
"1514542","17.8294","0.0019","42.047","0.005","17.6823","0.0019","90","","90","","90","","13256","3","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C27 H44 N4 Ni -","- C27 H44 N4 Ni -","- C432 H704 N64 Ni16 -","16","1","","Harrold, Nicole D.; Hillhouse, Gregory L.","Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand","Chemical Science","2013","4","10","4011","","10.1039/c3sc51517f","","","0.71073","MoKα","","0.0658","0.0632","","","0.1719","0.1748","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514543","12.174","0.0013","26.324","0.003","31.697","0.003","112.359","0.002","99.666","0.002","92.719","0.002","9191.6","1.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H49 N7 Ni -","- C31 H49 N7 Ni -","- C310 H490 N70 Ni10 -","10","5","","Harrold, Nicole D.; Hillhouse, Gregory L.","Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand","Chemical Science","2013","4","10","4011","","10.1039/c3sc51517f","","","0.71073","MoKα","","0.2227","0.0696","","","0.1501","0.2188","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514544","7.8057","0.0005","10.1854","0.0007","23.4262","0.0017","90","","90","","90","","1862.5","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl2 O4 -","- C19 H20 Cl2 O4 -","- C76 H80 Cl8 O16 -","4","1","","Hussain, Nusrah; Hussain, Mahmud M.; Carroll, Patrick J.; Walsh, Patrick J.","Chemo- and diastereoselective tandem dual oxidation of B(pin)-substituted allylic alcohols: synthesis of B(pin)-substituted epoxy alcohols, 2-keto-anti-1,3-diols and dihydroxy-tetrahydrofuran-3-ones","Chemical Science","2013","4","10","3946","","10.1039/c3sc51616d","","","0.71073","MoKα","","0.0601","0.0541","","","0.1496","0.154","","","","","","1.116","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514545","19.5671","0.0008","12.5184","0.0005","27.8828","0.0011","90","","106.461","0.002","90","","6549.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70.65 H64.63 Mn4 N7 O14.09 -","- C70.652 H64.63 Mn4 N7 O14.091 -","- C282.608 H258.52 Mn16 N28 O56.364 -","4","1","","Kanady, Jacob S.; Tran, Rosalie; Stull, Jamie A.; Lu, Luo; Stich, Troy A.; Day, Michael W.; Yano, Junko; Britt, R. David; Agapie, Theodor","Role of Oxido Incorporation and Ligand Lability in Expanding Redox Accessibility of Structurally Related Mn4 Clusters.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","10","3986","3996","10.1039/C3SC51406D","","","0.71073","MoKα","","0.097","0.0643","","","0.1784","0.1919","","","","","","1.086","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514546","12.305","0.0006","15.5248","0.0007","37.6815","0.0018","90","","98.567","0.003","90","","7118.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65.42 H49.25 F4.75 Mn4 N6 O15.58 S1.58 -","- C65.418 H49.254 F4.746 Mn4 N6 O15.582 S1.582 -","- C261.672 H197.016 F18.984 Mn16 N24 O62.328 S6.328 -","4","1","","Kanady, Jacob S.; Tran, Rosalie; Stull, Jamie A.; Lu, Luo; Stich, Troy A.; Day, Michael W.; Yano, Junko; Britt, R. David; Agapie, Theodor","Role of Oxido Incorporation and Ligand Lability in Expanding Redox Accessibility of Structurally Related Mn4 Clusters.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","10","3986","3996","10.1039/C3SC51406D","","","0.71073","MoKα","","0.0949","0.0848","","","0.2042","0.2089","","","","","","1.136","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514547","12.6007","0.0005","13.0991","0.0005","20.5699","0.0008","99.263","0.002","95.161","0.002","94.247","0.002","3323.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H69 Mn4 N9 O14 -","- C72 H69 Mn4 N9 O14 -","- C144 H138 Mn8 N18 O28 -","2","1","","Kanady, Jacob S.; Tran, Rosalie; Stull, Jamie A.; Lu, Luo; Stich, Troy A.; Day, Michael W.; Yano, Junko; Britt, R. David; Agapie, Theodor","Role of Oxido Incorporation and Ligand Lability in Expanding Redox Accessibility of Structurally Related Mn4 Clusters.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","10","3986","3996","10.1039/C3SC51406D","","","0.71073","MoKα","","0.1066","0.0536","","","0.0634","0.0661","","","","","","1.542","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514548","15.41","0.003","24.64","0.005","19.23","0.004","90","","103.16","0.03","90","","7110","3","293","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H61 F3 Mn4 N10 O14 S -","- C78 H61 F3 Mn4 N10 O14 S -","- C312 H244 F12 Mn16 N40 O56 S4 -","4","1","","Kanady, Jacob S.; Tran, Rosalie; Stull, Jamie A.; Lu, Luo; Stich, Troy A.; Day, Michael W.; Yano, Junko; Britt, R. David; Agapie, Theodor","Role of Oxido Incorporation and Ligand Lability in Expanding Redox Accessibility of Structurally Related Mn4 Clusters.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","10","3986","3996","10.1039/C3SC51406D","","","0.7293","synchrotron","","0.0685","0.0572","","","0.1694","0.1739","","","","","","1.64","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514549","9.1886","0.0007","10.6165","0.0007","11.5601","0.0009","81.563","0.006","81.84","0.006","72.521","0.007","1058.25","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N4 O3 Pd -","- C24 H20 N4 O3 Pd -","- C48 H40 N8 O6 Pd2 -","2","1","","Chen, Kai; Hu, Fang; Zhang, Shuo-Qing; Shi, Bing-Feng","Pd(ii)-catalyzed alkylation of unactivated C(sp3)‒H bonds: efficient synthesis of optically active unnatural α-amino acids","Chemical Science","2013","4","10","3906","","10.1039/c3sc51747k","","","0.71073","MoKα","","0.0668","0.0513","","","0.1025","0.1085","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514550","9.4188","0.0002","9.7589","0.0001","15.1515","0.0003","96.812","0.001","97.849","0.001","109.187","0.001","1282.95","0.04","150","2","150","2","","","","","","","synthesis as described","3","P 1","P 1","1","RajanBabu 1916","","","- C27 H32 O11 -","- C27 H32 O11 -","- C54 H64 O22 -","2","2","","Gong, Wei; RajanBabu, T. V.","Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes","Chemical Science","2013","4","10","3979","","10.1039/c3sc51751a","","x-ray","0.71073","MoKα","","0.0443","0.0353","","","0.08","0.0849","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514551","11.9576","0.0001","12.6539","0.0001","16.2477","0.0001","96.233","0.001","98.572","0.001","100.371","0.001","2367.98","0.03","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","RajanBabu 1872","","","- C45 H63 B O10 Si Sn -","- C45 H63 B O10 Si Sn -","- C90 H126 B2 O20 Si2 Sn2 -","2","1","","Gong, Wei; RajanBabu, T. V.","Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes","Chemical Science","2013","4","10","3979","","10.1039/c3sc51751a","","x-ray","0.71073","MoKα","","0.0553","0.0397","","","0.1017","0.1099","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514552","10.7843","0.0001","14.0454","0.0002","19.3783","0.0002","90","","90","","90","","2935.23","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","RajanBabu 1913","","","- C29 H40 O9 Si -","- C29 H40 O9 Si -","- C116 H160 O36 Si4 -","4","1","","Gong, Wei; RajanBabu, T. V.","Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes","Chemical Science","2013","4","10","3979","","10.1039/c3sc51751a","","x-ray","0.71073","MoKα","","0.0457","0.0345","","","0.0751","0.0801","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514553","28.3106","0.0008","21.7915","0.0007","22.8536","0.0007","90","","126.572","0.001","90","","11323.1","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C118 H206 B2 Fe2 O P6 -","- C118 H206 B2 Fe2 O P6 -","- C472 H824 B8 Fe8 O4 P24 -","4","0.5","","Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.","CO2 reduction by Fe(i): solvent control of C–O cleavage versus C–C coupling","Chemical Science","2013","4","10","4042","","10.1039/c3sc51262b","","","0.71073","MoKα","","0.1524","0.1005","","","0.1613","0.1666","","","","","","1.997","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514554","22.7338","0.0016","15.5757","0.0011","17.6503","0.0013","90","","110.288","0.001","90","","5862.1","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C124 H208 B2 Cl4 Fe2 N2 O2 P6 -","- C124 H208 B2 Cl4 Fe2 N2 O2 P6 -","- C248 H416 B4 Cl8 Fe4 N4 O4 P12 -","2","0.5","","Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.","CO2 reduction by Fe(i): solvent control of C–O cleavage versus C–C coupling","Chemical Science","2013","4","10","4042","","10.1039/c3sc51262b","","","0.71073","MoKα","","0.1743","0.1009","","","0.1747","0.1813","","","","","","2.946","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514555","14.199","0.004","14.985","0.005","14.939","0.005","90","","103.184","0.005","90","","3094.8","1.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H106 B2 Fe2 O P6 -","- C54 H106 B2 Fe2 O P6 -","- C108 H212 B4 Fe4 O2 P12 -","2","1","","Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.","CO2 reduction by Fe(i): solvent control of C–O cleavage versus C–C coupling","Chemical Science","2013","4","10","4042","","10.1039/c3sc51262b","","","0.71073","MoKα","","0.1702","0.0933","","","0.1635","0.1769","","","","","","1.533","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514556","33.2834","0.0006","33.2834","0.0006","16.7509","0.0006","90","","90","","90","","18556.4","0.8","100","2","100","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C102 H94 B2 Fe2 O P6 -","- C102 H94 B2 Fe2 O P6 -","- C816 H752 B16 Fe16 O8 P48 -","8","0.5","","Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.","CO2 reduction by Fe(i): solvent control of C–O cleavage versus C–C coupling","Chemical Science","2013","4","10","4042","","10.1039/c3sc51262b","","","0.71073","MoKα","","0.0596","0.0554","","","0.1516","0.1557","","","","","","1.117","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514557","13.1184","0.0019","13.1184","0.0019","31.059","0.006","90","","90","","120","","4628.9","1.3","77","","77","2","","","","","","","","7","P 31","P 31","144","","","","- C67 H81 B Fe Na O7 P3 -","- C67 H81 B Fe Na O7 P3 -","- C201 H243 B3 Fe3 Na3 O21 P9 -","3","1","","Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.","CO2 reduction by Fe(i): solvent control of C–O cleavage versus C–C coupling","Chemical Science","2013","4","10","4042","","10.1039/c3sc51262b","","","0.71073","MoKα","","0.0524","0.0465","","","0.1123","0.116","","","","","","1.077","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514558","13.7605","0.0004","16.3419","0.0004","22.5111","0.0006","96.665","0.001","106.719","0.001","103.489","0.001","4622.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C91 H82 B2 Fe2 O3 P6 -","- C91 H82 B2 Fe2 O3 P6 -","- C182 H164 B4 Fe4 O6 P12 -","2","1","","Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.","CO2 reduction by Fe(i): solvent control of C–O cleavage versus C–C coupling","Chemical Science","2013","4","10","4042","","10.1039/c3sc51262b","","","1.54178","CuKα","","0.0787","0.054","","","0.1166","0.1222","","","","","","0.865","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514559","12.5307","0.0003","18.2485","0.0004","19.5913","0.0004","91.056","0.001","93.582","0.001","109.527","0.001","4210.28","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H62 O4 W -","- C48 H62 O4 W -","- C192 H248 O16 W4 -","4","2","","McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand","Chemical Science","2013","4","3","1145","","10.1039/c2sc21750c","","","0.71073","MoKα","","0.0576","0.0377","","","0.0748","0.0828","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514560","9.4199","0.0004","12.183","0.0005","17.6797","0.0007","93.621","0.002","100.409","0.002","102.237","0.002","1939.34","0.14","99","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H56 O3.5 W -","- C45 H56 O3.5 W -","- C90 H112 O7 W2 -","2","1","","McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand","Chemical Science","2013","4","3","1145","","10.1039/c2sc21750c","","","0.71073","MoKα","","0.0302","0.0262","","","0.0639","0.0655","","","","","","1.05","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514561","9.6683","0.0005","40.736","0.002","21.0306","0.0013","90","","97.047","0.001","90","","8220.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H55 O2.5 W -","- C50 H55 O2.5 W -","- C400 H440 O20 W8 -","8","2","","McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand","Chemical Science","2013","4","3","1145","","10.1039/c2sc21750c","","","0.71073","MoKα","","0.07","0.0361","","","0.0577","0.0694","","","","","","0.956","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514562","11.1564","0.0002","16.8638","0.0004","17.2397","0.0004","94.315","0.0014","93.4125","0.0018","108.645","0.0012","3052.51","0.12","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C70.11 H51.07 Cl4.87 N8 O4.24 Zn2 -","- C70.11 H51.07 Cl4.89 N8 O4.24 Zn2 -","- C140.22 H102.14 Cl9.78 N16 O8.48 Zn4 -","2","1","","Maeda, Hiromitsu; Nishimura, Takuma; Akuta, Ryo; Takaishi, Kazuto; Uchiyama, Masanobu; Muranaka, Atsuya","Two double helical modes of bidipyrrin‒ZnII complexes","Chemical Science","2013","4","3","1204","","10.1039/c2sc21913a","","","1.54187","CuKa","","0.1734","0.1033","","","0.252","0.3404","","","","","","1.126","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514563","12.324","0.005","8.833","0.003","25.104","0.011","90","","94.105","0.014","90","","2725.8","1.9","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Br2 N4 Ni -","- C32 H24 Br2 N4 Ni -","- C128 H96 Br8 N16 Ni4 -","4","1","","Maeda, Hiromitsu; Nishimura, Takuma; Akuta, Ryo; Takaishi, Kazuto; Uchiyama, Masanobu; Muranaka, Atsuya","Two double helical modes of bidipyrrin–ZnII complexes","Chemical Science","2013","4","3","1204","","10.1039/c2sc21913a","","","0.71075","MoKα","","0.0665","0.0431","","","0.1155","0.1303","","","","","","0.873","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514564","12.4834","0.0001","18.5861","0.0002","20.5491","0.0003","90","","117.547","0.001","90","","4227.24","0.09","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 Eu F18 N4 O7 -","- C34 H25 Eu F18 N4 O7 -","- C136 H100 Eu4 F72 N16 O28 -","4","1","","Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers","Chemical Science","2013","4","3","1125","","10.1039/c2sc21982d","","","0.71073","MoKα","","0.0504","0.0412","","","0.1059","0.115","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514565","21.9162","0.0008","18.3619","0.0008","24.8681","0.0009","90","","122.872","0.002","90","","8405.1","0.6","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H50 Eu2 F36 N8 O14 -","- C69 H50 Eu2 F36 N8 O14 -","- C276 H200 Eu8 F144 N32 O56 -","4","1","","Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers","Chemical Science","2013","4","3","1125","","10.1039/c2sc21982d","","","0.71073","MoKα","","0.0863","0.064","","","0.1592","0.1708","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514566","17.6614","0.0004","19.7308","0.0004","23.4654","0.0005","95.2886","0.0019","96.678","0.0019","114.691","0.002","7288.8","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H90.5 Eu3 F54 N18.5 O20 -","- C119 H90.5 Eu3 F54 N18.5 O20 -","- C238 H181 Eu6 F108 N37 O40 -","2","1","","Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers","Chemical Science","2013","4","3","1125","","10.1039/c2sc21982d","","","1.54184","CuKα","","0.0715","0.0567","","","0.1455","0.1585","","","","","","1.046","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514567","12.2354","0.0002","14.4044","0.0002","14.8029","0.0003","77.3039","0.0016","72.1925","0.0019","68.6551","0.0017","2296.17","0.08","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H31 F18 Lu N6 O7 -","- C38 H31 F18 Lu N6 O7 -","- C76 H62 F36 Lu2 N12 O14 -","2","1","","Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers","Chemical Science","2013","4","3","1125","","10.1039/c2sc21982d","","","1.54184","CuKα","","0.0277","0.0264","","","0.0693","0.0704","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514568","11.6721","0.0002","15.7298","0.0004","22.3967","0.0005","78.307","0.002","87.1599","0.0017","87.3088","0.0018","4018.88","0.16","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H54 F30 La2 N10 O14 -","- C66 H54 F30 La2 N10 O14 -","- C132 H108 F60 La4 N20 O28 -","2","1","","Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers","Chemical Science","2013","4","3","1125","","10.1039/c2sc21982d","","","1.54184","CuKα","","0.0554","0.0522","","","0.14","0.1449","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514569","18.485","0.012","5.944","0.003","18.057","0.012","90","","92.841","0.013","90","","1982","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","","Xie, Jin; Xue, Qicai; Jin, Hongming; Li, Huamin; Cheng, Yixiang; Zhu, Chengjian","A visible-light-promoted aerobic C–H/C–N cleavage cascade to isoxazolidine skeletons","Chemical Science","2013","4","3","1281","","10.1039/c2sc22131d","","","0.71073","MoKα","","0.1235","0.0684","","","0.1592","0.1862","","","","","","1.027","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514570","31.601","0.004","31.601","0.004","10.671","0.003","90","","90","","90","","10656","4","120","1","120","1","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C47 H53 La O2 P3 Se6 -","- C44 H30 La O2 P3 Se6 -","- C352 H240 La8 O16 P24 Se48 -","8","0.5","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.093","0.0831","","","0.184","0.1857","","","","","","2.384","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514571","9.8457","0.0013","13.0684","0.0017","19.024","0.002","88.6","0.001","85.615","0.001","70.493","0.001","2300.5","0.5","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H46 Ce O2 P3 Se6 -","- C44 H46 Ce O2 P3 Se6 -","- C88 H92 Ce2 O4 P6 Se12 -","2","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0474","0.0323","","","0.0685","0.0739","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514572","31.4695","0.0018","31.4695","0.0018","10.6442","0.0012","90","","90","","90","","10541.3","1.5","120","1","120","1","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C47 H53 Nd O2 P3 Se6 -","- C44 H46 Nd O2 P3 Se6 -","- C352 H368 Nd8 O16 P24 Se48 -","8","0.5","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0521","0.0381","","","0.0732","0.076","","","","","","1.346","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514573","13.5653","0.001","9.0111","0.0007","35.576","0.003","90","","91.945","0.001","90","","4346.2","0.6","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 La N2 P3 Se6 -","- C40 H36 La N2 P3 Se6 -","- C160 H144 La4 N8 P12 Se24 -","4","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0617","0.039","","","0.0817","0.0903","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514574","13.344","0.004","18.862","0.005","20.428","0.005","79.465","0.004","89.356","0.004","70.12","0.003","4746","2","141","2","141","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H46 N0 O2 P3 Pu Se6 -","- C44 H46 O2 P3 Pu Se6 -","- C176 H184 O8 P12 Pu4 Se24 -","4","2","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.1355","0.0703","","","0.1556","0.1816","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514575","12.6878","0.0005","21.9927","0.0009","22.9089","0.001","90","","90","","90","","6392.5","0.5","120","1","120","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H68 Ce N O P4 Se8 -","- C60 H68 Ce N O P4 Se8 -","- C240 H272 Ce4 N4 O4 P16 Se32 -","4","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0341","0.0269","","","0.0461","0.0479","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514576","12.7053","0.0012","21.997","0.002","22.902","0.002","90","","90","","90","","6400.6","1","141","2","141","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H68 N O P4 Pu Se8 -","- C60 H68 N O P4 Pu Se8 -","- C240 H272 N4 O4 P16 Pu4 Se32 -","4","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0338","0.0261","","","0.0448","0.0464","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514577","13.8131","0.0006","9.7933","0.0005","18.8547","0.0009","90","","91.597","0.001","90","","2549.6","0.2","120","1","120","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H40 P4 Se8 U -","- C48 H40 P4 Se8 U -","- C96 H80 P8 Se16 U2 -","2","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0276","0.0226","","","0.0463","0.0474","","","","","","0.659","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514578","13.8899","0.0019","9.9688","0.0014","18.862","0.003","90","","91.609","0.002","90","","2610.7","0.7","141","2","141","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H40 Np P4 Se8 -","- C48 H40 Np P4 Se8 -","- C96 H80 Np2 P8 Se16 -","2","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.077","0.0414","","","0.0622","0.0704","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514579","25.5236","0.0014","13.7422","0.0008","14.3634","0.0008","90","","90","","90","","5038","0.5","100.15","","100.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C54 H78 Cl Ir N2 O2 -","- C54 H78 Cl Ir N2 O2 -","- C216 H312 Cl4 Ir4 N8 O8 -","4","1","","Barnard, Jonathan H.; Wang, Chao; Berry, Neil G.; Xiao, Jianliang","Long-range metal‒ligand bifunctional catalysis: cyclometallated iridium catalysts for the mild and rapid dehydrogenation of formic acid","Chemical Science","2013","4","3","1234","","10.1039/c2sc21923a","","","0.71073","MoKα","","0.0429","0.0395","","","0.0838","0.086","","","","","","1.088","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514580","10.499","0.0005","10.5404","0.0005","11.0455","0.0006","63.986","0.001","85.787","0.001","69.884","0.001","1027.14","0.09","100.15","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Cl3 N2 Rh -","- C20 H26 Cl3 N2 Rh -","- C40 H52 Cl6 N4 Rh2 -","2","1","","Barnard, Jonathan H.; Wang, Chao; Berry, Neil G.; Xiao, Jianliang","Long-range metal‒ligand bifunctional catalysis: cyclometallated iridium catalysts for the mild and rapid dehydrogenation of formic acid","Chemical Science","2013","4","3","1234","","10.1039/c2sc21923a","","","0.71073","MoKα","","0.0267","0.0241","","","0.053","0.0549","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514581","9.552","0.005","10.569","0.006","13.458","0.007","71.185","0.011","76.497","0.011","77.422","0.011","1235.4","1.2","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H27 N3 O3 -","- C28 H27 N3 O3 -","- C56 H54 N6 O6 -","2","2","","Uraguchi, Daisuke; Ueki, Yusuke; Sugiyama, Atsushi; Ooi, Takashi","Highly stereoselective Michael addition of azlactones to electron-deficient triple bonds under P-spiro chiral iminophosphorane catalysis: importance of protonation pathway","Chemical Science","2013","4","3","1308","","10.1039/c2sc22027j","","","0.71073","MoKα","","0.1279","0.0524","","","0.1175","0.1617","","","","","","0.999","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514582","11.118","0.003","16.129","0.005","26.837","0.008","90","","90","","90","","4812","2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C224 H224 N16 O32 -","8","2","","Uraguchi, Daisuke; Ueki, Yusuke; Sugiyama, Atsushi; Ooi, Takashi","Highly stereoselective Michael addition of azlactones to electron-deficient triple bonds under P-spiro chiral iminophosphorane catalysis: importance of protonation pathway","Chemical Science","2013","4","3","1308","","10.1039/c2sc22027j","","","0.71073","MoKα","","0.1417","0.0911","","","0.1854","0.2129","","","","","","1.085","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514583","6.8101","0.0003","9.5015","0.0004","21.2601","0.0005","90","","90","","90","","1375.66","0.09","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H18 Ca N O8 P -","- C7 H18 Ca N O8 P -","- C28 H72 Ca4 N4 O32 P4 -","4","1","","Liang, Xiaoqiang; Zhang, Feng; Feng, Wei; Zou, Xiaoqin; Zhao, Chengji; Na, Hui; Liu, Cong; Sun, Fuxing; Zhu, Guangshan","From metal–organic framework (MOF) to MOF–polymer composite membrane: enhancement of low-humidity proton conductivity","Chemical Science","2013","4","3","983","","10.1039/c2sc21927a","","","0.71073","MoKα","","0.072","0.0576","","","0.105","0.1072","","","","","","1.024","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514584","12.5384","0.001","13.4689","0.0011","19.1735","0.0015","90","","93.373","0.001","90","","3232.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","IPrAuNiPr2","","","- C33 H50 Au N3 -","- C33 H50 Au N3 -","- C132 H200 Au4 N12 -","4","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0329","0.0297","","","0.0891","0.0937","","","","","","1.176","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514585","12.0547","0.0006","14.2387","0.0007","20.0505","0.0011","90","","90","","90","","3441.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","((IPr)AuNHiPr2)(BF4)","","","- C33 H51 Au B F4 N3 -","- C33 H51 Au B F4 N3 -","- C132 H204 Au4 B4 F16 N12 -","4","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0122","0.0118","","","0.0285","0.0286","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514586","12.5675","0.0007","19.0611","0.001","14.9662","0.0008","90","","108.971","0.001","90","","3390.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(IPr)AuNHPh*THF","","","- C37 H50 Au N3 O -","- C37 H50 Au N3 O -","- C148 H200 Au4 N12 O4 -","4","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0184","0.0161","","","0.0373","0.039","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514587","10.8111","0.0008","20.7615","0.0016","16.2556","0.0012","90","","103.247","0.003","90","","3551.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","npm038","npm038","","- C36 H53 Au N4 -","- C36 H53 Au N4 -","- C144 H212 Au4 N16 -","4","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0875","0.0618","","","0.1588","0.1742","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514588","14.8187","0.0006","19.5498","0.0008","28.0267","0.0011","90","","90","","90","","8119.4","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","IPrAuPMes2","","","- C45 H58 Au N2 P -","- C45 H58 Au N2 P -","- C360 H464 Au8 N16 P8 -","8","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0704","0.0402","","","0.0793","0.0922","","","","","","1.147","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514589","11.8034","0.0006","8.9229","0.0004","50.327","0.003","90","","92.992","0.001","90","","5293.2","0.5","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","npm041","npm041","","- C45 H59 Au B F4 N2 P -","- C45 H59 Au B F4.01 N2 P -","- C180 H236 Au4 B4 F16.04 N8 P4 -","4","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0556","0.0536","","","0.1179","0.119","","","","","","1.237","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514590","11.9915","0.0006","12.2396","0.0006","16.7165","0.0009","96.555","0.001","108.386","0.001","105.096","0.001","2195.7","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","npm023","npm023","","- C37 H59 Au B Cl4 F4 N2 P -","- C37 H59 Au B Cl4 F4 N2 P -","- C74 H118 Au2 B2 Cl8 F8 N4 P2 -","2","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0683","0.065","","","0.1449","0.1471","","","","","","1.179","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514591","10.1656","0.0013","13.4105","0.0018","15.503","0.002","97.346","0.003","101.171","0.003","101.772","0.003","1998.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H59 Cl N P Pd -","- C45 H59 Cl N P Pd -","- C90 H118 Cl2 N2 P2 Pd2 -","2","1","","Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L.","Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","3","916","920","10.1039/C2SC20903A","","","0.71073","MoKα","","0.0217","0.0201","","","0.0533","0.0544","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514592","14.55","0.0018","13.7601","0.0017","23.806","0.003","90","","94.469","0.003","90","","4751.7","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57.5 H45 Cl4 N P2 Pd -","- C57.4998 H44.9996 Cl3.9996 N P2 Pd -","- C229.999 H179.998 Cl15.9984 N4 P8 Pd4 -","4","1","","Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L.","Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","3","916","920","10.1039/C2SC20903A","","","0.71073","MoKα","","0.0382","0.0307","","","0.0798","0.0856","","","","","","1.055","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514593","12.3071","0.001","13.5653","0.0011","14.7831","0.0012","102.455","0.001","94.481","0.001","98.654","0.001","2366.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H72 N O4 P Pd S -","- C50 H72 N O4 P Pd S -","- C100 H144 N2 O8 P2 Pd2 S2 -","2","1","","Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L.","Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","3","916","920","10.1039/C2SC20903A","","","0.71073","MoKα","","0.037","0.0313","","","0.0757","0.0795","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514594","10.8288","0.0009","13.3096","0.0011","17.347","0.0015","110.42","0.002","93.341","0.002","103.421","0.002","2252.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H62 Cl4 N O3 P Pd S -","- C44 H62 Cl4 N O3 P Pd S -","- C88 H124 Cl8 N2 O6 P2 Pd2 S2 -","2","1","","Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L.","Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","3","916","920","10.1039/C2SC20903A","","","0.71073","MoKα","","0.0253","0.0236","","","0.0603","0.0612","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514595","15.5569","0.0006","17.0797","0.0007","16.7243","0.0006","90","","94.222","0.001","90","","4431.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H66 N O5 P Pd S -","- C48 H66 N O5 P Pd S -","- C192 H264 N4 O20 P4 Pd4 S4 -","4","1","","Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L.","Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","3","916","920","10.1039/C2SC20903A","","","0.71073","MoKα","","0.0323","0.0248","","","0.0595","0.0637","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514596","13.9763","0.0014","20.426","0.002","21.29","0.002","75.424","0.002","85.472","0.002","76.307","0.002","5713.9","1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C60.5 H52 Cl7 N O3 P2 Pd S -","- C60.4998 H51.9996 Cl6.9996 N O3 P2 Pd S -","- C241.999 H207.998 Cl27.9984 N4 O12 P8 Pd4 S4 -","4","2","","Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L.","Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","3","916","920","10.1039/C2SC20903A","","","0.71073","MoKα","","0.0536","0.0407","","","0.1032","0.1108","","","","","","1.087","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514597","12.572","0.0007","9.3235","0.0005","15.1484","0.0006","90","","90.258","0.004","90","","1775.6","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 I N4 O4 -","- C15 H19 I N4 O4 -","- C60 H76 I4 N16 O16 -","4","1","","Wang, Minyan; Fu, Chunling; Ma, Shengming","Cleavage of oxygen–sulfur double bonds and carbon–sulfur bonds: unusual highly selective electrophilic addition of allenylic sulfoxides","Chemical Science","2013","4","3","1016","","10.1039/c2sc21920d","","","0.71073","MoKα","","0.0482","0.0336","","","0.0752","0.0829","","","","","","1.061","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514598","7.1296","0.001","7.4865","0.001","17.896","0.003","87.393","0.002","84.501","0.002","71.105","0.002","899.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 I N4 O4 -","- C17 H15 I N4 O4 -","- C34 H30 I2 N8 O8 -","2","1","","Wang, Minyan; Fu, Chunling; Ma, Shengming","Cleavage of oxygen–sulfur double bonds and carbon–sulfur bonds: unusual highly selective electrophilic addition of allenylic sulfoxides","Chemical Science","2013","4","3","1016","","10.1039/c2sc21920d","","","0.71073","MoKα","","0.0355","0.031","","","0.077","0.0799","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514599","10.3467","0.0012","11.3394","0.0013","23.95","0.003","90","","92.079","0.001","90","","2808.1","0.6","160","2","160","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 Cl2 F4 Ir N2 O -","- C31 H22 Cl2 F4 Ir N2 O -","- C124 H88 Cl8 F16 Ir4 N8 O4 -","4","1","","Maity, Ayan; Anderson, Bryce Lane; Deligonul, Nihal; Gray, Thomas G.","Room-temperature synthesis of cyclometalated iridium(iii) complexes: kinetic isomers and reactive functionalities","Chemical Science","2013","4","3","1175","","10.1039/c2sc21831c","","","0.71073","MoKα","","0.0199","0.0183","","","0.0414","0.042","","","","","","1.146","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514600","9.7368","0.0006","16.1179","0.001","15.8357","0.001","90","","91.275","0.001","90","","2484.6","0.3","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H19 F4 Ir N2 O -","- C30 H19 F4 Ir N2 O -","- C120 H76 F16 Ir4 N8 O4 -","4","1","","Maity, Ayan; Anderson, Bryce Lane; Deligonul, Nihal; Gray, Thomas G.","Room-temperature synthesis of cyclometalated iridium(iii) complexes: kinetic isomers and reactive functionalities","Chemical Science","2013","4","3","1175","","10.1039/c2sc21831c","","","0.71073","MoKα","","0.0157","0.0137","","","0.033","0.0337","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514601","6.6342","0.0003","7.2435","0.0003","9.0416","0.0004","101.074","0.002","109.754","0.002","99.964","0.001","387.76","0.03","100","","100","","","","","","","","pentane,","3","P -1","-P 1","2","","","","- C8 H10 O4 -","- C8 H10 O4 -","- C16 H20 O8 -","2","1","","Huang, Xueliang; Klimczyk, Sebastian; Veiros, Luís F.; Maulide, Nuno","Stereoselective intramolecular cyclopropanation through catalytic olefin activation","Chemical Science","2013","4","3","1105","","10.1039/c2sc21914j","","","1.54184","Cu-Kα","","0.034","0.0334","","","0.0823","0.0828","","","","","","1.073","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514602","9.3855","0.0003","9.7769","0.0003","26.717","0.0007","90","","90","","90","","2451.58","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C64 H120 F48 N16 P8 -","8","1","","Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.","Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]","Chemical Science","2013","4","3","1270","","10.1039/c2sc21959j","","","1.54178","CuKα","","0.0368","0.0353","","","0.0988","0.1","","","","","","1.09","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514603","9.4924","0.0005","9.8406","0.0005","26.8817","0.0013","90","","90","","90","","2511","0.2","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C64 H120 F48 N16 P8 -","8","1","","Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.","Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]","Chemical Science","2013","4","3","1270","","10.1039/c2sc21959j","","","1.54178","CuKα","","0.0555","0.0482","","","0.1463","0.1551","","","","","","1.124","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514604","9.3869","0.0008","9.5879","0.0008","14.4964","0.0012","98.492","0.005","98.354","0.006","101.089","0.006","1245.85","0.19","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C32 H60 F24 N8 P4 -","4","2","","Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.","Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]","Chemical Science","2013","4","3","1270","","10.1039/c2sc21959j","","","0.71073","MoKα","","0.1041","0.0846","","","0.244","0.275","","","","","","1.06","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514605","9.5818","0.0013","9.5826","0.0009","14.5801","0.001","99.219","0.01","99.252","0.006","99.667","0.01","1278.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C32 H60 F24 N8 P4 -","4","2","","Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.","Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]","Chemical Science","2013","4","3","1270","","10.1039/c2sc21959j","","","0.56085","AgKα","","0.0896","0.074","","","0.2113","0.2319","","","","","","1.125","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514606","8.8215","0.0008","9.0796","0.0009","9.0381","0.0008","96.671","0.007","114.768","0.006","103.071","0.007","621.82","0.11","263","2","263","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C16 H30 F12 N4 P2 -","2","1","","Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.","Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]","Chemical Science","2013","4","3","1270","","10.1039/c2sc21959j","","","0.71073","MoKα","","0.0759","0.0503","","","0.128","0.1448","","","","","","1.051","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514607","4.92063","0.0001","15.6607","0.0004","10.4554","0.0003","90","","99.6328","0.0014","90","","794.34","0.03","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O5 S -","- C16 H16 N2 O5 S -","- C32 H32 N4 O10 S2 -","2","1","","Iwai, Yuri; Ozaki, Takashi; Takita, Ryo; Uchiyama, Masanobu; Shimokawa, Jun; Fukuyama, Tohru","Modified McFadyen–Stevens reaction for a versatile synthesis of aliphatic/aromatic aldehydes: design, optimization, and mechanistic investigations","Chemical Science","2013","4","3","1111","","10.1039/c2sc22045h","","","1.54187","CuKα","","","0.0337","","","","0.0951","","","","","","0.487","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514608","12.2352","0.0005","16.6412","0.0007","25.9304","0.0012","76.808","0.003","80.972","0.003","74.261","0.002","4922.1","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H71 F30 N6 O8 S4 -","- C108 H71 F30 N6 O8 S4 -","- C216 H142 F60 N12 O16 S8 -","2","1","","Higashino, Tomohiro; Osuka, Atsuhiro","2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base","Chemical Science","2013","4","3","1087","","10.1039/c2sc21791k","","","1.54187","CuKα","","0.3347","0.1054","","","0.1921","0.2861","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514609","12.2654","0.0002","15.3627","0.0003","24.8758","0.0004","101.432","0.0008","93.5605","0.0008","112.749","0.0008","4186.74","0.13","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H32 Cl4 F30 N6 S4 -","- C75 H32 Cl4 F30 N6 S4 -","- C150 H64 Cl8 F60 N12 S8 -","2","1","","Higashino, Tomohiro; Osuka, Atsuhiro","2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base","Chemical Science","2013","4","3","1087","","10.1039/c2sc21791k","","","1.54187","CuKα","","0.1488","0.1176","","","0.321","0.3743","","","","","","1.268","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514610","16.133","0.0008","7.8286","0.0005","29.837","0.0016","90","","102.318","0.003","90","","3681.6","0.4","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75.78 H37.56 Cl3.56 F30 N6 S4 -","- C75.78 H37.56 Cl3.56 F30 N6 S4 -","- C151.56 H75.12 Cl7.12 F60 N12 S8 -","2","0.5","","Higashino, Tomohiro; Osuka, Atsuhiro","2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base","Chemical Science","2013","4","3","1087","","10.1039/c2sc21791k","","","1.54187","CuKα","","0.1485","0.0784","","","0.1805","0.2316","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514611","16.483","0.0008","19.8976","0.0009","20.2276","0.0009","76.119","0.001","74.622","0.001","81.57","0.001","6185.3","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C119 H162 F3 Fe5 N17 O41 S Yb3 -","- C101.5 H135.5 F1.5 Fe5 N8.5 O39.5 S0.5 Yb3 -","- C203 H271 F3 Fe10 N17 O79 S Yb6 -","2","1","","Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.","Ringing the changes in Feiii/Ybiii cyclic coordination clusters","Chemical Science","2013","4","12","4354","","10.1039/c3sc52041b","","","0.71073","MoKα","","0.0345","0.0278","","","0.0758","0.0781","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514612","14.2113","0.0009","18.558","0.0013","19.2","0.0012","84.231","0.005","70.788","0.005","83.144","0.005","4737.3","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H111 Fe4 N7 O29 Yb2 -","- C81 H105 Fe4 N5 O29 Yb2 -","- C162 H210 Fe8 N10 O58 Yb4 -","2","1","","Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.","Ringing the changes in Feiii/Ybiii cyclic coordination clusters","Chemical Science","2013","4","12","4354","","10.1039/c3sc52041b","","","0.71073","MoKα","","0.0906","0.0686","","","0.1752","0.1851","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514613","19.9227","0.0015","19.679","0.0012","22.0382","0.0015","90","","108.184","0.008","90","","8208.8","1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H94 Fe3 N5 O25 Yb2 -","- C72 H94 Fe3 N5 O25 Yb2 -","- C288 H376 Fe12 N20 O100 Yb8 -","4","1","","Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.","Ringing the changes in Feiii/Ybiii cyclic coordination clusters","Chemical Science","2013","4","12","4354","","10.1039/c3sc52041b","","","0.71073","MoKα","","0.1091","0.0547","","","0.1262","0.1534","","","","","","0.981","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514614","14.449","0.002","24.951","0.004","23.76","0.004","90","","101.82","0.002","90","","8384","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H115 Fe4 N7 O27 S2 Yb2 -","- C56 H101 Fe4 N6 O24 S2 Yb2 -","- C224 H404 Fe16 N24 O96 S8 Yb8 -","4","1","","Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.","Ringing the changes in Feiii/Ybiii cyclic coordination clusters","Chemical Science","2013","4","12","4354","","10.1039/c3sc52041b","","","0.8","synchrotron","","0.1173","0.0974","","","0.2615","0.2858","","","","","","1.293","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514615","16.553","0.0012","20.5964","0.0013","21.1312","0.0016","108.791","0.005","101.118","0.006","95.993","0.005","6583.9","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C182 H353 Fe10 N51 O90 Yb10 -","- C140 H286 Fe10 N30 O90 Yb10 -","- C140 H286 Fe10 N30 O90 Yb10 -","1","0.5","","Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.","Ringing the changes in Feiii/Ybiii cyclic coordination clusters","Chemical Science","2013","4","12","4354","","10.1039/c3sc52041b","","","0.71073","MoKα","","0.0785","0.0474","","","0.1034","0.1101","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514616","9.898","0.0015","14.2365","0.0015","17.039","0.003","90","","94.369","0.013","90","","2394","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 N2 O14 Yb2 -","- C46 H60 N2 O14 Yb2 -","- C92 H120 N4 O28 Yb4 -","2","0.5","","Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.","Ringing the changes in Feiii/Ybiii cyclic coordination clusters","Chemical Science","2013","4","12","4354","","10.1039/c3sc52041b","","","0.71073","MoKα","","0.0821","0.0484","","","0.1044","0.1104","","","","","","0.983","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514617","32.591","0.003","32.591","0.003","5.1877","0.0005","90","","90","","120","","4772","0.8","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C17 H31 Cl N2 O6 -","- C17 H31 Cl N2 O6 -","- C153 H279 Cl9 N18 O54 -","9","3","","Merkx, Remco; de Bruin, Gerjan; Kruithof, Art; van den Bergh, Toine; Snip, Erwin; Lutz, Martin; El Oualid, Farid; Ovaa, Huib","Scalable synthesis of γ-thiolysine starting from lysine and a side by side comparison with δ-thiolysine in non-enzymatic ubiquitination","Chemical Science","2013","4","12","4494","","10.1039/c3sc51599k","","","1.54184","CuKα","","0.0506","0.0438","","","0.1168","0.1211","","","","","","1.117","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514618","7.5487","0.0004","12.3687","0.0005","13.3085","0.0006","86.885","0.004","79.43","0.004","78.079","0.004","1194.98","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H62 N4 O10 S2 -","- C52 H62 N4 O10 S2 -","- C52 H62 N4 O10 S2 -","1","0.5","","Wu, Guanglu; Verwilst, Peter; Liu, Kai; Smet, Mario; Faul, Charl F. J.; Zhang, Xi","Controlling the self-assembly of cationic bolaamphiphiles: counterion-directed transitions from 0D/1D to exclusively 2D planar structures","Chemical Science","2013","4","12","4486","","10.1039/c3sc52342j","","","0.71073","MoKα","","0.0515","0.0397","","","0.0882","0.0937","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514619","10.8296","0.0002","22.4623","0.0002","24.9069","0.0003","90","","90","","90","","6058.8","0.14","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H88 Mg2 N4 O3 -","- C65 H88 Mg2 N4 O3 -","- C260 H352 Mg8 N16 O12 -","4","1","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","1.54184","CuKα","","0.0286","0.0283","","","0.073","0.0732","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514620","48.559","0.003","13.67","0.0009","17.5247","0.0011","90","","103.46","0.003","90","","11313.4","1.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H82 Mg2 N4 O3 -","- C59 H82 Mg2 N4 O3 -","- C472 H656 Mg16 N32 O24 -","8","1","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.0948","0.0524","","","0.1137","0.1347","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514621","14.5246","0.0009","15.621","0.0009","25.9215","0.0014","90","","90","","90","","5881.3","0.6","123","2","123","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C60 H82 Mg2 N4 O4 -","- C60 H82 Mg2 N4 O4 -","- C240 H328 Mg8 N16 O16 -","4","0.5","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.0647","0.0466","","","0.1053","0.1159","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514622","22.886","0.005","14.823","0.003","16.196","0.003","90","","90.65","0.03","90","","5494","1.9","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H84 Mg2 N4 O2 -","- C58 H84 Mg2 N4 O2 -","- C232 H336 Mg8 N16 O8 -","4","0.5","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.1761","0.0775","","","0.1822","0.2258","","","","","","0.957","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514623","12.168","0.0013","12.6241","0.0014","13.176","0.002","98.046","0.011","111.433","0.012","109.68","0.01","1692.2","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H104 Mg2 N4 O3 -","- C72 H104 Mg2 N4 O3 -","- C72 H104 Mg2 N4 O3 -","1","0.5","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.0587","0.0448","","","0.112","0.123","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514624","12.749","0.003","14.372","0.003","18.802","0.004","90","","95.03","0.03","90","","3431.8","1.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H106 Mg2 N4 O4 -","- C73 H106 Mg2 N4 O4 -","- C146 H212 Mg4 N8 O8 -","2","0.5","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.0973","0.0786","","","0.2112","0.2273","","","","","","1.062","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514625","14.86","0.003","17.21","0.003","45.3","0.009","90","","90","","90","","11585","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C59 H82 Mg2 N4 O S2 -","- C59 H82 Mg2 N4 O S2 -","- C472 H656 Mg16 N32 O8 S16 -","8","1","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.7108","Synchrotron","","0.1105","0.0989","","","0.2167","0.2218","","","","","","1.22","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514626","12.0374","0.0017","12.0374","0.0017","44.799","0.009","90","","90","","120","","5621.7","1.6","123","2","123","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C83 H116 Mg2 N6 O -","- C83 H116 Mg2 N6 O -","- C249 H348 Mg6 N18 O3 -","3","0.5","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.0457","0.0389","","","0.0868","0.09","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514627","13.1816","0.0005","16.205","0.0006","31.9827","0.0011","79.216","0.003","83.332","0.003","68.828","0.003","6249.3","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H92 Mg2 N4 O2 S2 -","- C63 H92 Mg2 N4 O2 S2 -","- C252 H368 Mg8 N16 O8 S8 -","4","2","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.0827","0.0511","","","0.1042","0.1186","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514628","8.6436","0.0003","12.2137","0.0004","10.588","0.0003","90","","100.721","0.002","90","","1098.27","0.06","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H23 N O3 S -","- C26 H23 N O3 S -","- C52 H46 N2 O6 S2 -","2","1","","Nishimura, Takahiro; Nagamoto, Midori; Ebe, Yusuke; Hayashi, Tamio","Enantioselective [3 + 2] annulation via C–H activation between cyclic N-acyl ketimines and 1,3-dienes catalyzed by iridium/chiral diene complexes","Chemical Science","2013","4","12","4499","","10.1039/c3sc52379a","","","1.54187","CuKα","","0.0844","0.0592","","","0.1455","0.1877","","","","","","1.004","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514629","11.2358","0.0013","9.1056","0.001","15.9131","0.0018","90","","104.579","0.0042","90","","1575.6","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N4 O4 -","- C15 H16 N4 O4 -","- C60 H64 N16 O16 -","4","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.016","","3.11","","","","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514630","11.30697","0.00076","9.06586","0.00042","15.94455","0.00091","90","","105.28","0.0033","90","","1576.66","0.16","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 F N4 O4 -","- C15 H15 F N4 O4 -","- C60 H60 F4 N16 O16 -","4","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.017","","5.01","","","","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514631","8.78113","0.00087","10.06607","0.00056","10.5609","0.0014","105.871","0.0058","72.7172","0.0063","71.1516","0.0063","769.83","0.16","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 F N4 O4 -","- C15 H15 F N4 O4 -","- C30 H30 F2 N8 O8 -","2","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.021","","7.53","","","","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514632","11.39598","0.00091","9.15968","0.00051","15.8701","0.0012","90","","104.025","0.0043","90","","1607.2","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F2 N4 O4 -","- C15 H14 F2 N4 O4 -","- C60 H56 F8 N16 O16 -","4","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.022","","6.67","","","","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514633","11.36104","0.00082","9.11522","0.00046","15.8828","0.0013","90","","101.777","0.0041","90","","1610.2","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F2 N4 O4 -","- C15 H14 F2 N4 O4 -","- C60 H56 F8 N16 O16 -","4","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.021","","5.28","","","","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514634","11.33562","0.00074","9.12362","0.00042","15.9442","0.0011","90","","104.26","0.0039","90","","1598.17","0.17","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F2 N4 O4 -","- C15 H14 F2 N4 O4 -","- C60 H56 F8 N16 O16 -","4","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.019","","5.12","","","","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514635","14.263","0.0011","8.13716","0.00048","16.0129","0.0016","90","","121.214","0.0035","90","","1589.4","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F4 N4 O4 -","- C15 H12 F4 N4 O4 -","- C60 H48 F16 N16 O16 -","4","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.017","","5.01","","","","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514636","13.2146","0.0001","8.7249","0.0001","26.334","0.0002","90","","98.44","","90","","3003.32","0.05","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 N4 S4 -","- C36 H20 N4 S4 -","- C144 H80 N16 S16 -","4","1","","Mouri, Kazuhiro; Saito, Shohei; Hisaki, Ichiro; Yamaguchi, Shigehiro","Thermal 8π electrocyclic reaction of heteroarene tetramers: new efficient access to π-extended cyclooctatetraenes","Chemical Science","2013","4","12","4465","","10.1039/c3sc52232f","","","0.8","synchrotron","","0.0746","0.073","","","0.2169","0.2177","","","","","","1.089","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514637","11.042","0.002","32.589","0.007","14.243","0.003","90","","100.66","0.03","90","","5036.9","1.8","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 B2 F12 N10 O Rh2 -","- C42 H46 B2 F12 N10 O Rh2 -","- C168 H184 B8 F48 N40 O4 Rh8 -","4","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.0852","0.0587","","","0.1314","0.1435","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514638","14.135","0.003","21.331","0.004","31.17","0.006","90","","90","","90","","9398","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H46 B2 F8 N12 Rh2 -","- C40 H46 B2 F8 N12 Rh2 -","- C320 H368 B16 F64 N96 Rh16 -","8","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.0793","0.059","","","0.1524","0.1764","","","","","","1.193","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514639","14.338","0.003","21.619","0.004","31.136","0.006","90","","90","","90","","9651","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H48 B2 F8 N10 Rh2 -","- C42 H48 B2 F8 N10 Rh2 -","- C336 H384 B16 F64 N80 Rh16 -","8","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.0374","0.0262","","","0.059","0.066","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514640","11.11","0.002","31.777","0.006","14.195","0.003","90","","101.13","0.03","90","","4917.2","1.7","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 B2 F12 N10 O Rh2 -","- C42 H46 B2 F12 N10 O Rh2 -","- C168 H184 B8 F48 N40 O4 Rh8 -","4","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.048","0.0374","","","0.0914","0.0982","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514641","14.126","0.003","21.399","0.004","31.434","0.006","90","","90","","90","","9502","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H46 B2 F8 N12 Rh2 -","- C40 H46 B2 F8 N12 Rh2 -","- C320 H368 B16 F64 N96 Rh16 -","8","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.068","0.0443","","","0.101","0.1133","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514642","22.272","0.004","22.161","0.004","22.409","0.004","90","","119.43","0.03","90","","9633","4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H46 B2 F8 N6 P2 Rh2 -","- C48 H46 B2 F8 N6 P2 Rh2 -","- C384 H368 B16 F64 N48 P16 Rh16 -","8","2","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.0459","0.0328","","","0.0899","0.0977","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514643","16.0527","0.0003","5.5303","0.0001","20.7663","0.0007","90","","115.425","0.002","90","","1665","0.08","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O -","- C22 H20 O -","- C88 H80 O4 -","4","1","","Franzoni, Ivan; Guénée, Laure; Mazet, Clément","Access to congested quaternary centers by Pd-catalyzed intermolecular γ-arylation of unactivated α,β-unsaturated aldehydes","Chemical Science","2013","4","6","2619","","10.1039/c3sc50806d","","","1.54184","CuKα","","0.0401","0.0365","","","0.099","0.1022","","","","","","1.043","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514644","9.79459","0.00015","10.18235","0.00018","34.1007","0.0007","90","","90","","90","","3400.93","0.11","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C160 H192 O16 -","8","1","","Franzoni, Ivan; Guénée, Laure; Mazet, Clément","Access to congested quaternary centers by Pd-catalyzed intermolecular γ-arylation of unactivated α,β-unsaturated aldehydes","Chemical Science","2013","4","6","2619","","10.1039/c3sc50806d","","","1.54184","CuKα","","0.051","0.0481","","","0.1294","0.132","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514645","11.663","0.004","5.822","0.002","21.566","0.008","90","","100.89","0.02","90","","1438","0.9","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H27 Br F3 N O8 S -","- C28 H27 Br F3 N O8 S -","- C56 H54 Br2 F6 N2 O16 S2 -","2","1","","Zhang, Wei; Liu, Na; Schienebeck, Casi M.; Zhou, Xin; Izhar, Izarin I.; Guzei, Ilia A.; Tang, Weiping","Enantioselective intermolecular bromoesterification of allylic sulfonamides","Chemical Science","2013","4","6","2652","","10.1039/c3sc50446h","","","1.54178","CuKα","","0.026","0.0258","","","0.0645","0.0646","","","","","","1.07","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514646","6.9645","0.0004","25.7559","0.0015","9.9824","0.0006","90","","99.152","0.001","90","","1767.82","0.18","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C19 H13 F2 N4 O3 Pt -","- C19 H13 F2 N4 O3 Pt -","- C76 H52 F8 N16 O12 Pt4 -","4","1","","Li, Kai; Cheng, Gang; Ma, Chensheng; Guan, Xiangguo; Kwok, Wai-Ming; Chen, Yong; Lu, Wei; Che, Chi-Ming","Light-emitting platinum(ii) complexes supported by tetradentate dianionic bis(N-heterocyclic carbene) ligands: towards robust blue electrophosphors","Chemical Science","2013","4","6","2630","","10.1039/c3sc21822h","","","1.54178","CuKα","","0.057","0.0568","","","0.1501","0.1503","","","","","","1.076","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514647","11.5589","0.0009","8.2655","0.0007","22.3063","0.0015","90","","111.907","0.004","90","","1977.3","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cl2 F2 N4 O2 Pt -","- C20 H14 Cl2 F2 N4 O2 Pt -","- C80 H56 Cl8 F8 N16 O8 Pt4 -","4","1","","Li, Kai; Cheng, Gang; Ma, Chensheng; Guan, Xiangguo; Kwok, Wai-Ming; Chen, Yong; Lu, Wei; Che, Chi-Ming","Light-emitting platinum(ii) complexes supported by tetradentate dianionic bis(N-heterocyclic carbene) ligands: towards robust blue electrophosphors","Chemical Science","2013","4","6","2630","","10.1039/c3sc21822h","","","1.54178","CuKα","","0.0816","0.0744","","","0.2267","0.2377","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514648","8.1851","0.0004","8.5344","0.0005","13.5521","0.0009","94.129","0.005","99.175","0.004","114.976","0.004","836.84","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","DPAP","","","- C20.5 H13 Cl N3 -","- C20.5 H13 Cl N3 -","- C41 H26 Cl2 N6 -","2","1","","Koenig, Matthias; Bottari, Giovanni; Brancato, Giuseppe; Barone, Vincenzo; Guldi, Dirk M.; Torres, Tomás","Unraveling the peculiar modus operandi of a new class of solvatochromic fluorescent molecular rotors by spectroscopic and quantum mechanical methods","Chemical Science","2013","4","6","2502","","10.1039/c3sc50290b","","","1.54178","","","0.0663","0.0598","","","0.1614","0.1682","","","","","","1.063","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514649","5.0348","0.0004","14.3242","0.0009","15.1715","0.001","115.546","0.005","90.919","0.006","98.363","0.006","972.89","0.13","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H28 O6 -","- C22 H28 O6 -","- C44 H56 O12 -","2","1","","Riener, Michelle; Nicewicz, David A.","Synthesis of cyclobutane lignans via an organic single electron oxidant-electron relay system.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","6","2625","","10.1039/C3SC50643F","","","1.54178","CuKα","","0.1219","0.0622","","","0.1319","0.1578","","","","","","1.01","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514650","21.267","0.002","11.483","0.0013","26.049","0.003","90","","111.875","0.002","90","","5903.4","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H95 Fe N10 O6 -","- C54 H83 Fe N10 O6 -","- C216 H332 Fe4 N40 O24 -","4","2","","Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe","Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state","Chemical Science","2013","4","6","2463","","10.1039/c3sc22069a","","","0.71073","MoKα","","0.1395","0.0846","","","0.2127","0.2525","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514651","21.346","0.005","12.362","0.005","12.855","0.004","90","","120.033","0.013","90","","2936.7","1.7","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 B2 Co F8 N5 O -","- C29 H27 B2 Co F8 N5 O -","- C116 H108 B8 Co4 F32 N20 O4 -","4","0.5","","Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe","Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state","Chemical Science","2013","4","6","2463","","10.1039/c3sc22069a","","","0.71073","MoKα","","0.0358","0.0314","","","0.0821","0.0842","","","","","","1.058","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514652","10.9398","0.0012","22.107","0.003","16.8809","0.0019","90","","92.003","0.006","90","","4080.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 F0 Fe N8 O -","- C22 H13 Fe N8 O -","- C176 H104 Fe8 N64 O8 -","8","2","","Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe","Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state","Chemical Science","2013","4","6","2463","","10.1039/c3sc22069a","","","0.71073","MoKα","","0.0912","0.0513","","","0.1327","0.1563","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514653","13.5995","0.001","14.2091","0.001","24.965","0.0019","90","","103.148","0.003","90","","4697.7","0.6","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C107 H92 Co2 Fe2 N26 O5 -","- C107 H80 Co2 Fe2 N26 O5 -","- C214 H160 Co4 Fe4 N52 O10 -","2","0.5","","Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe","Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state","Chemical Science","2013","4","6","2463","","10.1039/c3sc22069a","","","0.71073","MoKα","","0.0565","0.05","","","0.1331","0.1364","","","","","","1.125","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514654","13.6545","0.0015","14.348","0.0017","25.328","0.003","90","","102.313","0.005","90","","4848","1","370","2","370","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C107 H92 Co2 Fe2 N26 O5 -","- C107 H72 Co2 Fe2 N26 O5 -","- C214 H144 Co4 Fe4 N52 O10 -","2","0.5","","Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe","Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state","Chemical Science","2013","4","6","2463","","10.1039/c3sc22069a","","","0.71073","MoKα","","0.0658","0.0511","","","0.1266","0.1356","","","","","","1.063","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514655","9.9184","0.0002","20.5507","0.0004","17.2472","0.0004","90","","101.677","0.002","90","","3442.74","0.13","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H17 B F15 P -","- C39 H17 B F15 P -","- C156 H68 B4 F60 P4 -","4","1","","Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs","Chemical Science","2013","4","6","2657","","10.1039/c3sc00082f","","","0.71073","MoKα","","0.0506","0.0422","","","0.0996","0.1068","","","","","","1.07","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514656","8.3314","0.0003","23.9142","0.0009","14.7962","0.0009","90","","90.618","0.004","90","","2947.8","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 B F10 P -","- C34 H20 B F10 P -","- C136 H80 B4 F40 P4 -","4","1","","Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs","Chemical Science","2013","4","6","2657","","10.1039/c3sc00082f","","","1.54178","CuKα","","0.0695","0.0505","","","0.1212","0.1368","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514657","13.8351","0.0008","11.5678","0.0008","30.569","0.003","90","","101.896","0.007","90","","4787.2","0.6","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 B F15 N P -","- C44 H26 B F15 N P -","- C176 H104 B4 F60 N4 P4 -","4","1","","Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs","Chemical Science","2013","4","6","2657","","10.1039/c3sc00082f","","","1.54178","CuKα","","0.0858","0.0702","","","0.1936","0.2077","","","","","","1.077","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514658","10.1806","0.0005","10.4896","0.0003","17.7612","0.0008","94.693","0.003","95.33","0.005","112.36","0.003","1732.34","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H29 B F10 N P -","- C39 H29 B F10 N P -","- C78 H58 B2 F20 N2 P2 -","2","1","","Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs","Chemical Science","2013","4","6","2657","","10.1039/c3sc00082f","","","1.54178","CuKα","","0.0454","0.0416","","","0.105","0.1085","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514659","17.6472","0.0007","14.6343","0.0004","18.4267","0.0007","90","","103.288","0.002","90","","4631.4","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 B Cl4 F15 N P -","- C46 H30 B Cl4 F15 N P -","- C184 H120 B4 Cl16 F60 N4 P4 -","4","1","","Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs","Chemical Science","2013","4","6","2657","","10.1039/c3sc00082f","","","1.54178","CuKα","","0.113","0.0898","","","0.2467","0.2724","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514660","39.1199","0.0004","16.3061","0.0002","23.4811","0.0004","90","","97.421","0.001","90","","14853","0.3","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H30 B Cl F10 N P -","- C39.5 H30 B Cl F10 N P -","- C632 H480 B16 Cl16 F160 N16 P16 -","16","2","","Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs","Chemical Science","2013","4","6","2657","","10.1039/c3sc00082f","","","1.54178","CuKα","","0.0592","0.0531","","","0.1445","0.1498","","","","","","1.05","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514661","11.8916","0.0003","15.4391","0.0004","17.7101","0.0005","90","","90","","90","","3251.5","0.15","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H30 Br3 N O4 S -","- C34 H30 Br3 N O4 S -","- C136 H120 Br12 N4 O16 S4 -","4","1","","Chen, Xingkuan; Fang, Xinqiang; Chi, Yonggui Robin","cis-Enals in N-heterocyclic carbene-catalyzed reactions: distinct stereoselectivity and reactivity","Chemical Science","2013","4","6","2613","","10.1039/c3sc50666e","","","0.71073","MoKα","","0.0997","0.0493","","","0.103","0.1378","","","","","","1.055","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514662","8.5561","0.0012","28.71","0.004","29.726","0.004","90","","90","","90","","7302.1","1.7","173.2","","173.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 Cl6 Ir N2 O3 -","- C32 H37 Cl6 Ir N2 O3 -","- C256 H296 Cl48 Ir8 N16 O24 -","8","2","","Owens, Clayton P.; Varela-Álvarez, Adrián; Boyarskikh, Vyacheslav; Musaev, Djamaladdin G.; Davies, Huw M. L.; Blakey, Simon B.","Iridium(iii)-bis(oxazolinyl)phenyl catalysts for enantioselective C‒H functionalization","Chemical Science","2013","4","6","2590","","10.1039/c3sc50886b","","","0.71073","MoKα","","0.0558","0.0465","","","0.1062","0.1102","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514663","6.6609","0.0002","9.7886","0.0005","18.8033","0.0008","90","","106.893","0.003","90","","1173.09","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F2 O -","- C15 H10 F2 O -","- C60 H40 F8 O4 -","4","1","","Agabekov, Vladislav; Seiche, Wolfgang; Breit, Bernhard","Rhodium-catalyzed hydroformylation of alkynes employing a self-assembling ligand system","Chemical Science","2013","4","6","2418","","10.1039/c3sc50725d","","","0.71073","MoKα","","0.0536","0.0389","","","0.0976","0.107","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514664","5.8262","0.0002","21.4617","0.0013","9.2279","0.0004","90","","95.017","0.003","90","","1149.44","0.09","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O -","- C15 H12 O -","- C60 H48 O4 -","4","1","","Agabekov, Vladislav; Seiche, Wolfgang; Breit, Bernhard","Rhodium-catalyzed hydroformylation of alkynes employing a self-assembling ligand system","Chemical Science","2013","4","6","2418","","10.1039/c3sc50725d","","","0.71073","MoKα","","0.0703","0.0417","","","0.0969","0.1105","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514665","14.0847","0.0011","15.7003","0.0012","25.3994","0.0019","90","","91.481","0.002","90","","5614.8","0.7","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H54 F6 N O10 P -","- C55 H54 F6 N O10 P -","- C220 H216 F24 N4 O40 P4 -","4","1","","Suresh, Moorthy; Mandal, Amal Kumar; Suresh, E.; Das, Amitava","First demonstration of two-step FRET in a synthetic supramolecular assembly","Chemical Science","2013","4","6","2380","","10.1039/c3sc50282a","","","0.71073","MoKα","","0.1771","0.1183","","","0.293","0.3256","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514666","23.095","0.01","4.8656","0.0017","18.761","0.008","90","","122.671","0.005","90","","1774.6","1.2","103","2","103","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 -","- C28 H18 -","- C112 H72 -","4","0.5","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C–H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2–AgOTf–o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.079","0.0645","","","0.1576","0.169","","","","","","1.124","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514667","8.283","0.009","12.769","0.018","13.17","0.02","80.39","0.09","77.65","0.11","71.77","0.1","1285","3","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H14 F12 -","- C32 H14 F12 -","- C64 H28 F24 -","2","1","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C–H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2–AgOTf–o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.176","0.1086","","","0.2672","0.3426","","","","","","0.984","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514668","14.463","0.008","15.645","0.009","17.602","0.01","107.771","0.01","98.2863","0.0012","105.005","0.01","3554","3","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H25 O4 -","- C32 H25 O4 -","- C192 H150 O24 -","6","3","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.1944","0.1158","","","0.2795","0.3452","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514669","11.38","0.003","8.787","0.002","15.36","0.005","90","","111.613","0.003","90","","1428","0.7","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 O8 -","- C36 H34 O8 -","- C72 H68 O16 -","2","0.5","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.1671","0.1478","","","0.4388","0.4444","","","","","","1.159","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514670","17.55","0.005","7.302","0.0018","18.848","0.005","90","","94.759","0.005","90","","2407","1.1","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 F6 O2 -","- C32 H20 F6 O2 -","- C128 H80 F24 O8 -","4","1","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.1171","0.0671","","","0.1506","0.1803","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514671","10.094","0.006","12.055","0.007","19.805","0.011","81.395","0.02","80.7","0.02","89.36","0.02","2351","2","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C128 H96 O8 -","4","2","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C–H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2–AgOTf–o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.2815","0.1334","","","0.302","0.4027","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514672","11.675","0.003","5.0054","0.0008","14.303","0.003","90","","98.451","0.012","90","","826.8","0.3","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C44 H36 O8 -","2","0.5","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C–H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2–AgOTf–o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.0751","0.0628","","","0.1517","0.1671","","","","","","1.093","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514673","10.4133","0.0003","12.3601","0.0004","16.6001","0.0006","111.7","0.002","102.333","0.002","93.499","0.002","1916.15","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H15 F3 O3 -","- C12 H15 F3 O3 -","- C72 H90 F18 O18 -","6","3","","Lu, Deng-Fu; Zhu, Cheng-Liang; Xu, Hao","Copper(i)-catalyzed diastereoselective hydroxytrifluoromethylation of dienes accelerated by phosphine ligands","Chemical Science","2013","4","6","2478","","10.1039/c3sc50582k","","","1.54178","CuKα","","0.1287","0.1206","","","0.4204","0.4381","","","","","","2.099","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514674","6.7008","0.0002","14.8959","0.0006","16.9986","0.0006","90","","93.806","0.003","90","","1692.96","0.1","292.05","0.1","292.05","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 F N O S -","- C20 H20 F N O S -","- C80 H80 F4 N4 O4 S4 -","4","1","","Zhang, Gen; Ma, Yunxia; Wang, Shoulei; Kong, Weidong; Wang, Rui","Chiral organic contact ion pairs in metal-free catalytic enantioselective oxidative cross-dehydrogenative coupling of tertiary amines to ketones","Chemical Science","2013","4","6","2645","","10.1039/c3sc50604e","","","0.7107","MoKα","","0.0842","0.054","","","0.1522","0.1823","","","","","","1.014","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514675","8.3008","0.0006","10.0109","0.0008","10.1613","0.0006","76.211","0.006","79.041","0.006","87.821","0.006","805.07","0.1","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H13 N3 S -","- C20 H13 N3 S -","- C40 H26 N6 S2 -","2","1","","Qin, Xurong; Liu, Hu; Qin, Dekun; Wu, Qian; You, Jingsong; Zhao, Dongbing; Guo, Qiang; Huang, Xiaolei; Lan, Jingbo","Chelation-assisted Rh(iii)-catalyzed C2-selective oxidative C–H/C–H cross-coupling of indoles/pyrroles with heteroarenes","Chemical Science","2013","4","5","1964","","10.1039/c3sc22241a","","","0.7107","MoKα","","0.0814","0.0495","","","0.1013","0.1215","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514676","22.2937","0.0004","22.2937","0.0004","8.766","0.0002","90","","90","","90","","4356.78","0.15","293","2","293.15","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C22 H23 Cl N3 Rh -","- C22 H23 Cl N3 Rh -","- C176 H184 Cl8 N24 Rh8 -","8","1","","Qin, Xurong; Liu, Hu; Qin, Dekun; Wu, Qian; You, Jingsong; Zhao, Dongbing; Guo, Qiang; Huang, Xiaolei; Lan, Jingbo","Chelation-assisted Rh(iii)-catalyzed C2-selective oxidative C‒H/C‒H cross-coupling of indoles/pyrroles with heteroarenes","Chemical Science","2013","4","5","1964","","10.1039/c3sc22241a","","","0.7107","MoKα","","0.0396","0.0319","","","0.0748","0.0788","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514677","11.3782","0.0002","12.8716","0.0002","13.5328","0.0003","103.493","0.0016","91.2746","0.0016","90.1766","0.0016","1926.7","0.06","180","2","180","","","","","","","","","6","P 1","P 1","1","","","","- C40 H54 I N3 O Pd -","- C40 H54 I N3 O Pd -","- C80 H108 I2 N6 O2 Pd2 -","2","2","","Larionov, Evgeny; Nakanishi, Masafumi; Katayev, Dmitry; Besnard, Céline; Kündig, E. Peter","Scope and mechanism of asymmetric C(sp3)‒H/C(Ar)‒X coupling reactions: computational and experimental study","Chemical Science","2013","4","5","1995","","10.1039/c3sc00098b","","","0.7107","MoKα","","0.0295","0.0265","","","0.0596","0.0618","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514678","6.2501","0.0001","10.0275","0.0002","30.1617","0.0007","90","","90","","90","","1890.32","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Cl3 I N O -","- C18 H15 Cl3 I N O -","- C72 H60 Cl12 I4 N4 O4 -","4","1","","Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N.","Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates.","Chemical sciences journal","2013","4","5","2100","","10.1039/C3SC50410G","","","0.71073","MoKα","","0.0241","0.0206","","","0.0371","0.0378","","","","","","1.073","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514679","25.646","0.003","6.3769","0.0007","10.8278","0.0011","90","","112.766","0.001","90","","1632.8","0.3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C13 H13 Cl3 I N O2 -","- C13 H13 Cl3 I N O2 -","- C52 H52 Cl12 I4 N4 O8 -","4","1","","Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N.","Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates.","Chemical sciences journal","2013","4","5","2100","","10.1039/C3SC50410G","","","0.71073","MoKα","","0.0337","0.0285","","","0.06","0.0621","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514680","9.9921","0.0004","17.5041","0.0006","18.6434","0.0007","90","","90","","90","","3260.8","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Cl4 F I N O -","- C12 H11 Cl4 F I N O -","- C96 H88 Cl32 F8 I8 N8 O8 -","8","2","","Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N.","Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates.","Chemical sciences journal","2013","4","5","2100","","10.1039/C3SC50410G","","","1.54178","CuKα","","0.0678","0.056","","","0.1359","0.1442","","","","","","1.063","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514681","11.2235","0.0016","11.7597","0.0017","20.531","0.003","90","","90","","90","","2709.8","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 Cl3 N2 O -","- C13 H11 Cl3 N2 O -","- C104 H88 Cl24 N16 O8 -","8","2","","Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N.","Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates.","Chemical sciences journal","2013","4","5","2100","","10.1039/C3SC50410G","","","0.71073","MoKα","","0.0386","0.0298","","","0.0578","0.0608","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514682","11.741","0.003","12.62","0.003","15.891","0.004","90","","90","","90","","2354.6","1","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 Cl N2 O S -","- C28 H27 Cl N2 O S -","- C112 H108 Cl4 N8 O4 S4 -","4","1","","Robinson, Emily R. T.; Fallan, Charlene; Simal, Carmen; Slawin, Alexandra M. Z.; Smith, Andrew D.","Anhydrides as α,β-unsaturated acyl ammonium precursors: isothiourea-promoted catalytic asymmetric annulation processes","Chemical Science","2013","4","5","2193","","10.1039/c3sc50199j","","","0.71075","MoKα","","","0.0499","","","","0.1148","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514683","11.5246","0.0006","12.6819","0.0007","17.2832","0.0009","68.867","0.002","84.99","0.003","77.05","0.003","2296.1","0.2","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C44 H28 Cl3 F20 N O4 P Rh -","- C44 H30 Cl3 F20 N O4 P Rh -","- C88 H60 Cl6 F40 N2 O8 P2 Rh2 -","2","1","","Dalton, Derek M.; Rappé, Anthony K; Rovis, Tomislav","Perfluorinated Taddol Phosphoramidite as an L,Z-Ligand on Rh(I) and Co(-I): Evidence for Bidentate Coordination via Metal-C6F5 Interaction.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","5","2062","2070","10.1039/C3SC50271F","","","0.71073","MoKα","","0.0742","0.0495","","","0.1323","0.1536","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514684","10.4903","0.001","14.3946","0.0014","15.5781","0.0015","78.012","0.003","84.045","0.003","72.01","0.004","2186.6","0.4","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C44 H28 Cl F23 N O7 P Rh S -","- C44.054 H28.108 F23 N1.027 O7 P Rh S -","- C88.108 H56.216 F46 N2.054 O14 P2 Rh2 S2 -","2","1","","Dalton, Derek M.; Rappé, Anthony K; Rovis, Tomislav","Perfluorinated Taddol Phosphoramidite as an L,Z-Ligand on Rh(I) and Co(-I): Evidence for Bidentate Coordination via Metal-C6F5 Interaction.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","5","2062","2070","10.1039/C3SC50271F","","","0.71073","MoKα","","0.0623","0.043","","","0.1191","0.1524","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514685","11.7155","0.0004","12.1131","0.0004","18.2303","0.0006","70.901","0.002","89.025","0.002","83.198","0.002","2426.82","0.14","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H33 F20 N O7 P Rh S -","- C50 H35 F20 N O7 P Rh S -","- C100 H70 F40 N2 O14 P2 Rh2 S2 -","2","1","","Dalton, Derek M.; Rappé, Anthony K; Rovis, Tomislav","Perfluorinated Taddol Phosphoramidite as an L,Z-Ligand on Rh(I) and Co(-I): Evidence for Bidentate Coordination via Metal-C6F5 Interaction.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","5","2062","2070","10.1039/C3SC50271F","","","0.71073","MoKα","","0.0782","0.0457","","","0.1109","0.1451","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514686","13.4123","0.0005","14.8876","0.0006","16.7728","0.0007","94.268","0.002","90.34","0.002","97.344","0.002","3312.1","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H52 Co F20 N2 O7 P -","- C54 H52 Co F20 N2 O7 P -","- C108 H104 Co2 F40 N4 O14 P2 -","2","1","","Dalton, Derek M.; Rappé, Anthony K; Rovis, Tomislav","Perfluorinated Taddol Phosphoramidite as an L,Z-Ligand on Rh(I) and Co(-I): Evidence for Bidentate Coordination via Metal-C6F5 Interaction.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","5","2062","2070","10.1039/C3SC50271F","","","0.71073","MoKα","","0.1172","0.0571","","","0.1458","0.1645","","","","","","0.934","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514687","10.3948","0.0005","12.9525","0.0006","25.0752","0.0013","90","","92.424","0.003","90","","3373.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H48 Cl N3 O2 -","- C35 H48 Cl N3 O2 -","- C140 H192 Cl4 N12 O8 -","4","1","","Despagnet-Ayoub, Emmanuelle; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Henling, Lawrence M.; Day, Michael W.; Labinger, Jay A.; Bercaw, John E.","Unexpected rearrangements in the synthesis of an unsymmetrical tridentate dianionic N-heterocyclic carbene","Chemical Science","2013","4","5","2117","","10.1039/c3sc22171g","","","0.71073","MoKα","","0.0844","0.0545","","","0.0731","0.0742","","","","","","2.4","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514688","8.9329","0.0003","15.3817","0.0005","16.3064","0.0006","79.606","0.002","81.358","0.002","75.254","0.002","2118.34","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H53 B2 F8 N3 O3 -","- C39 H53 B2 F8 N3 O3 -","- C78 H106 B4 F16 N6 O6 -","2","1","","Despagnet-Ayoub, Emmanuelle; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Henling, Lawrence M.; Day, Michael W.; Labinger, Jay A.; Bercaw, John E.","Unexpected rearrangements in the synthesis of an unsymmetrical tridentate dianionic N-heterocyclic carbene","Chemical Science","2013","4","5","2117","","10.1039/c3sc22171g","","","0.71073","MoKα","","0.1344","0.084","","","0.1135","0.1147","","","","","","4.929","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514689","12.2674","0.0012","13.4426","0.0014","19.906","0.002","83.633","0.009","76.942","0.009","65.569","0.01","2910.8","0.6","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C79 H48 Cl5 -","- C79 Cl5 -","- C158 Cl10 -","2","1","","Xiao, Shengxiong; Kang, Seok Ju; Wu, Ying; Ahn, Seokhoon; Kim, Jong Bok; Loo, Yueh-Lin; Siegrist, Theo; Steigerwald, Michael L.; Li, Hexing; Nuckolls, Colin","Supersized contorted aromatics","Chemical Science","2013","4","5","2018","","10.1039/c3sc50374g","","","0.71073","MoKα","","0.2278","0.0927","","0.3041","0.2025","0.3041","","","","","","1.8274","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514690","8.796","0.001","8.8679","0.0007","10.3885","0.0009","75.311","0.007","80.306","0.009","71.263","0.01","738.95","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C32 H46 N2 O4 -","2","1","","Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier","Ligand-controlled β-selective C(sp3)–H arylation of N-Boc-piperidines","Chemical Science","2013","4","5","2241","","10.1039/c3sc50428j","","","1.5418","CuKα","","0.0742","0.0704","","0.1963","0.1905","0.1963","","","","","","0.9627","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514691","9.7796","0.0003","10.0791","0.0003","21.9689","0.0005","90","","96.101","0.002","90","","2153.2","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 F3 N O2 -","- C24 H28 F3 N O2 -","- C96 H112 F12 N4 O8 -","4","1","","Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier","Ligand-controlled β-selective C(sp3)–H arylation of N-Boc-piperidines","Chemical Science","2013","4","5","2241","","10.1039/c3sc50428j","","","1.5418","CuKα","","0.0424","0.0406","","0.0813","0.0796","0.0813","","","","","","1.0227","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514692","10.7367","0.0008","11.183","0.0005","16.106","0.0007","76.241","0.004","75.622","0.005","77.643","0.005","1794.66","0.18","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H29 N O2 -","- C20 H29 N O2 -","- C80 H116 N4 O8 -","4","2","","Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier","Ligand-controlled β-selective C(sp3)–H arylation of N-Boc-piperidines","Chemical Science","2013","4","5","2241","","10.1039/c3sc50428j","","","1.5418","CuKα","","0.0528","0.0434","","0.1159","0.1072","0.1159","","","","","","1.0246","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514693","8.953","0.002","9.856","0.002","14.208","0.003","89.921","0.017","72.269","0.017","70.983","0.017","1122.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tert-Butyl-2-(4-bromophenyl)-2-cyano-2-(3-oxocyclohexyl)acetate","","- C21 H27 Br N O3.5 -","- C21 H27 Br N O3.5 -","- C42 H54 Br2 N2 O7 -","2","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","0.71073","MoKα","","0.1601","0.08","","","0.1409","0.1622","","","","","","1.044","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514694","28.468","0.005","6.5087","0.0019","10.903","0.002","90","","101.161","0.017","90","","1982","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(R)-tert-Butyl-2-(4-bromophenyl)-2-cyano-2-((R)-2-oxooxepan-4-yl)acetate","","- C19 H22 Br N O4 -","- C19 H22 Br N O4 -","- C76 H88 Br4 N4 O16 -","4","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","0.71073","MoKα","","0.0986","0.0667","","","0.1444","0.1602","","","","","","1.069","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514695","16.349","0.003","11.424","0.003","20.499","0.005","90","","90","","90","","3828.6","1.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","tert-Butyl-2-cyano-2-(3-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetate","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C160 H216 N8 O32 -","8","2","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","0.71073","MoKα","","0.16","0.0787","","","0.1325","0.1553","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514696","13.807","0.003","9.648","0.002","15.895","0.003","90","","95.425","0.016","90","","2107.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tert-Butyl-2-(4-chlorophenyl)-2-cyano-2-(6,6-dimethyl-2-oxooxepan-4-yl)acetate","","- C21 H26 Cl N O4 -","- C21 H26 Cl N O4 -","- C84 H104 Cl4 N4 O16 -","4","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","0.71073","MoKα","","0.1831","0.0912","","","0.1749","0.198","","","","","","1.124","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514697","12.2391","0.0011","13.5132","0.0011","12.6257","0.0011","90","","118.77","0.004","90","","1830.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tert-Butyl-2-(4-chlorophenyl)-2-cyano-2-(3-oxocyclohexyl)acetate","","- C19 H22 Cl N O3 -","- C19 H22 Cl N O3 -","- C76 H88 Cl4 N4 O12 -","4","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","0.71073","MoKα","","0.0485","0.0383","","","0.0955","0.0989","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514698","19.981","0.002","10.4357","0.0012","20.133","0.002","90","","104.963","0.007","90","","4055.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tert-Butyl-2-(4-bromophenyl)-2-cyano-2-(3,3-dimethyl-5-oxocyclo-hexyl)acetate","","- C21 H26 Br N O3 -","- C21 H26 Br N O3 -","- C168 H208 Br8 N8 O24 -","8","2","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","0.71073","MoKα","","0.1147","0.0622","","","0.124","0.1349","","","","","","1.084","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514699","9.0052","0.0005","19.3148","0.0011","11.0511","0.0007","90","","110.477","0.002","90","","1800.7","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-Butyl-2-cyano-2-(3-hydroxycyclohexyl)-2-phenylacetate","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","1.54178","CuKα","","0.0379","0.0365","","","0.0877","0.0889","","","","","","1.061","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514700","8.2536","0.0003","12.3017","0.0005","17.9593","0.0007","90","","90","","90","","1823.47","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-tert-Butyl-2-cyano-2-((1R,3S)-3-hydroxycyclohexyl)-2-phenylacetate","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","1.54178","CuKα","","0.0343","0.025","","","0.0637","0.064","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514701","9.4884","0.0004","7.3139","0.0003","12.2804","0.0006","90","","105.801","0.002","90","","820.02","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-5-((1R,3S)-3-Methoxycyclohexyl)-5-phenylimidazolidine-2,4-dione","","- C16 H20 N2 O3.33 -","- C16 H20 N2 O3.33 -","- C32 H40 N4 O6.66 -","2","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","1.54178","CuKα","","0.0275","0.0269","","","0.0688","0.0694","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514702","10.7474","0.0007","7.1883","0.0005","12.3435","0.0008","90","","112.278","0.002","90","","882.42","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","compound (S,R,S)-7","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C38 H54 N2 O8 -","2","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","1.54178","CuKα","","0.0251","0.025","","","0.0662","0.0664","","","","","","1.065","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514703","29.7078","0.0006","13.6826","0.0004","21.4688","0.0006","90","","114.327","0.0015","90","","7951.8","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 B F15 O2 Sc -","- C42 H34 B F15 O2 Sc -","- C336 H272 B8 F120 O16 Sc8 -","8","1","","Berkefeld, Andreas; Piers, Warren E.; Parvez, Masood; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile","Decamethylscandocinium-hydrido-(perfluorophenyl)borate: fixation and tandem tris(perfluorophenyl)borane catalysed deoxygenative hydrosilation of carbon dioxide","Chemical Science","2013","4","5","2152","","10.1039/c3sc50145k","","","0.71073","MoKα","","0.0888","0.0612","","","0.1181","0.1349","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514704","13.9542","0.0003","16.0174","0.0005","17.9508","0.0005","90","","97.5764","0.0015","90","","3977.16","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 B F15 Sc -","- C42 H36 B F15 Sc -","- C168 H144 B4 F60 Sc4 -","4","1","","Berkefeld, Andreas; Piers, Warren E.; Parvez, Masood; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile","Decamethylscandocinium-hydrido-(perfluorophenyl)borate: fixation and tandem tris(perfluorophenyl)borane catalysed deoxygenative hydrosilation of carbon dioxide","Chemical Science","2013","4","5","2152","","10.1039/c3sc50145k","","","0.71073","MoKα","","0.1042","0.0692","","","0.1271","0.1446","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514705","6.229","0.003","11.758","0.007","12.009","0.007","88.61","0.04","77.64","0.06","83.8","0.04","854.1","0.8","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","","McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C.","Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors","Chemical Science","2013","4","5","2028","","10.1039/c3sc50500f","","","1.54187","CuKα","","","0.0752","","","","0.2094","","","","","","0.899","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514706","14.6982","0.0017","4.5311","0.0005","19.448","0.003","90","","97.309","0.004","90","","1284.7","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 F N O3 -","- C15 H12 F N O3 -","- C60 H48 F4 N4 O12 -","4","1","","McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C.","Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors","Chemical Science","2013","4","5","2028","","10.1039/c3sc50500f","","","1.54187","CuKα","","","0.1206","","","","0.3223","","","","","","0.924","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514707","5.707","0.007","7.877","0.011","18.99","0.03","98.61","0.06","91.4","0.08","91.03","0.03","844","2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 N O6 S -","- C17 H17 N O6 S -","- C34 H34 N2 O12 S2 -","2","1","","McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C.","Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors","Chemical Science","2013","4","5","2028","","10.1039/c3sc50500f","","","1.54187","CuKα","","","0.1261","","","","0.4028","","","","","","1.233","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514708","7.89","0.03","5.6","0.02","16.51","0.06","90","","102.65","0.07","90","","712","5","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H8 F5 N O3 -","- C15 H8 F5 N O3 -","- C30 H16 F10 N2 O6 -","2","1","","McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C.","Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors","Chemical Science","2013","4","5","2028","","10.1039/c3sc50500f","","","1.54187","CuKα","","","0.1561","","","","0.43","","","","","","1.078","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514709","12.6203","0.0002","13.1151","0.0002","13.4075","0.0002","81.395","0.001","89.382","0.001","84.039","0.001","2182.29","0.06","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Chisholm 1904","","","- C92 H96 Mo2 N4 O10 S2 -","- C92 H96 Mo2 N4 O10 S2 -","- C92 H96 Mo2 N4 O10 S2 -","1","0.5","","Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Naseri, Vesal; Spilker, Thomas F.","MM quadruple bonds supported by cyanoacrylate ligands. Extending photon harvesting into the near infrared and studies of the MLCT states","Chemical Science","2013","4","5","2105","","10.1039/c3sc50322d","","x-ray","0.71073","MoKα","","0.0467","0.0347","","","0.085","0.0924","","","","","","1.079","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514710","12.843","0.003","16.816","0.003","21.696","0.004","74.31","0.03","76.48","0.03","72.72","0.03","4247","1.7","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","Chisholm 1892","","","- C88 H100 Mo2 N4 O11 -","- C88 H100 Mo2 N4 O11 -","- C176 H200 Mo4 N8 O22 -","2","1","","Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Naseri, Vesal; Spilker, Thomas F.","MM quadruple bonds supported by cyanoacrylate ligands. Extending photon harvesting into the near infrared and studies of the MLCT states","Chemical Science","2013","4","5","2105","","10.1039/c3sc50322d","","x-ray","0.71073","MoKα","","0.0998","0.059","","","0.1544","0.1682","","","","","","1.08","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514711","12.1824","0.0008","7.56","0.0004","12.3739","0.0006","90","","106.815","0.006","90","","1090.9","0.11","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","2","","Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong","Pd-catalyzed oxidative C–H/C–H cross-coupling of pyridines with heteroarenes","Chemical Science","2013","4","5","2163","","10.1039/c3sc50348h","","","0.7107","MoKα","","0.061","0.0444","","","0.1024","0.1145","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514712","10.8034","0.0005","6.9959","0.0003","19.4702","0.0011","90","","102.269","0.005","90","","1437.94","0.12","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N5 O2 -","- C15 H17 N5 O2 -","- C60 H68 N20 O8 -","4","1","","Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong","Pd-catalyzed oxidative C–H/C–H cross-coupling of pyridines with heteroarenes","Chemical Science","2013","4","5","2163","","10.1039/c3sc50348h","","","0.7107","MoKα","","0.0827","0.0546","","","0.1281","0.1519","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514713","23.0013","0.0019","5.0777","0.0003","11.154","0.0009","90","","90","","90","","1302.72","0.17","293","2","293.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H11 N O S -","- C16 H11 N O S -","- C64 H44 N4 O4 S4 -","4","1","","Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong","Pd-catalyzed oxidative C–H/C–H cross-coupling of pyridines with heteroarenes","Chemical Science","2013","4","5","2163","","10.1039/c3sc50348h","","","0.7107","MoKα","","0.0608","0.0419","","","0.0912","0.1053","","","","","","1.03","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514714","6.7553","0.0003","9.2885","0.0005","14.5501","0.0006","90","","95.168","0.004","90","","909.26","0.07","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H5 F N2 S -","- C10 H5 F N2 S -","- C40 H20 F4 N8 S4 -","4","1","","Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong","Pd-catalyzed oxidative C–H/C–H cross-coupling of pyridines with heteroarenes","Chemical Science","2013","4","5","2163","","10.1039/c3sc50348h","","","0.7107","MoKα","","0.0571","0.0394","","","0.0901","0.1007","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514715","6.0479","0.0004","8.1021","0.0005","14.5564","0.001","81.543","0.006","83.748","0.005","72.375","0.006","670.83","0.08","293","2","293.15","","","","","","","","","5","P 1","P 1","1","","","","- C16 H12 N O2 S -","- C16 H12 N O2 S -","- C32 H24 N2 O4 S2 -","2","2","","Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong","Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes","Chemical Science","2013","4","5","2163","","10.1039/c3sc50348h","","","0.7107","MoKα","","0.1016","0.0796","","","0.2035","0.2322","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514716","6.2339","0.0001","8.9683","0.0002","14.0067","0.0003","81.624","0.002","89.228","0.002","75.671","0.001","750.42","0.03","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 F3 N2 O4 S -","- C13 H13 F3 N2 O4 S -","- C26 H26 F6 N4 O8 S2 -","2","1","","Samanta, Ramesh C.; De Sarkar, Suman; Fröhlich, Roland; Grimme, Stefan; Studer, Armido","N-Heterocyclic carbene (NHC) catalyzed chemoselective acylation of alcohols in the presence of amines with various acylating reagents","Chemical Science","2013","4","5","2177","","10.1039/c3sc00099k","","","1.54178","CuKα","","0.0479","0.0455","","","0.1179","0.1203","","","","","","1.008","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514717","9.6013","0.0001","7.0186","0.0001","25.4572","0.0004","90","","92.806","0.001","90","","1713.44","0.04","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 F3 N2 O4 S -","- C15 H17 F3 N2 O4 S -","- C60 H68 F12 N8 O16 S4 -","4","1","","Samanta, Ramesh C.; De Sarkar, Suman; Fröhlich, Roland; Grimme, Stefan; Studer, Armido","N-Heterocyclic carbene (NHC) catalyzed chemoselective acylation of alcohols in the presence of amines with various acylating reagents","Chemical Science","2013","4","5","2177","","10.1039/c3sc00099k","","","1.54178","CuKα","","0.0555","0.0502","","","0.1346","0.1395","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514718","10.1814","0.0002","20.4882","0.0004","16.7346","0.0003","90","","103.158","0.0011","90","","3399.16","0.11","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H49.95 Ga Mn N2 O2 -","- C37 H49.95 Ga Mn N2 O2 -","- C148 H199.8 Ga4 Mn4 N8 O8 -","4","1","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","0.71073","MoKα","","0.1473","0.0732","","0.2096","0.1459","0.2096","","","","","","1.0437","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514719","9.083","0.0001","9.083","0.0001","41.8928","0.0005","90","","90","","90","","3456.19","0.07","150","","150","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C34 H41 Ga Mo N2 O5 -","- C34 H41 Ga Mo N2 O5 -","- C136 H164 Ga4 Mo4 N8 O20 -","4","0.5","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","0.71073","MoKα","","0.0659","0.0543","","0.1298","0.117","0.1298","","","","","","0.8947","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514720","9.15777","0.0001","35.5896","0.0006","21.105","0.0003","90","","90","","90","","6878.57","0.17","150","","150","","","","","","","","","6","P b n m","-P 2c 2ab","62","","","","- C34 H41 Ga N2 O5 W -","- C34 H41 Ga N2 O5 W -","- C272 H328 Ga8 N16 O40 W8 -","8","1","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","1.54184","CuKα","","0.062","0.0588","","0.1196","0.119","0.1196","","","","","","0.8871","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514721","8.8239","0.0002","19.5134","0.0004","21.404","0.0004","90.0148","0.0016","89.9906","0.0018","90.0029","0.0019","3685.43","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H41 Co2 Ga N2 O7 -","- C36 H41 Co2 Ga N2 O7 -","- C144 H164 Co8 Ga4 N8 O28 -","4","2","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","1.54184","CuKα","","0.034","0.0286","","0.0745","0.0648","0.0744","","","","","","0.9226","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514722","8.86","0.0001","21.5544","0.0002","9.0818","0.0001","90","","108.601","0.0004","90","","1643.77","0.03","150","","150","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C33 H42 Ga Mn N2 O4 -","- C33 H42 Ga Mn N2 O4 -","- C66 H84 Ga2 Mn2 N4 O8 -","2","0.5","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","0.71073","MoKα","","0.0435","0.0293","","0.0787","0.0653","0.0787","","","","","","0.9152","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514723","21.4272","0.0001","16.8902","0.0001","21.5723","0.0002","90","","108.729","0.0004","90","","7393.79","0.09","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H41 Cl Co Ga N2 O4 -","- C33 H41 Cl Co Ga N2 O4 -","- C264 H328 Cl8 Co8 Ga8 N16 O32 -","8","1","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","0.71073","MoKα","","0.048","0.0333","","0.0992","0.0816","0.0992","","","","","","0.9727","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514724","8.8327","0.0001","18.3781","0.0002","20.6752","0.0002","90.0077","0.0007","90.0065","0.0007","85.7423","0.0005","3346.91","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H48 Ga Mn N2 O2 -","- C37 H48 Ga Mn N2 O2 -","- C148 H192 Ga4 Mn4 N8 O8 -","4","2","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","0.71073","MoKα","","0.056","0.0355","","0.0919","0.0749","0.0919","","","","","","0.9366","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514725","12.5663","0.0002","13.2686","0.0003","20.7262","0.0004","78.4857","0.0019","83.9447","0.0017","83.4912","0.0018","3352.25","0.12","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C65 H53 B Co F24 Ga N2 O4 -","- C65 H53 B Co F24 Ga N2 O4 -","- C130 H106 B2 Co2 F48 Ga2 N4 O8 -","2","1","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","1.5418","CuKα","","0.0521","0.0489","","0.1228","0.1201","0.1228","","","","","","0.9839","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514726","10.8453","0.0014","12.173","0.0015","12.2364","0.0015","109.364","0.002","106.53","0.003","98.626","0.002","1406.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2-mercapto-1,3-di(ethoxycarbonyl)azulene","","","- C16 H16 O4 S -","- C16 H16 O4 S -","- C64 H64 O16 S4 -","4","2","","Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V.","The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus","Chemical Science","2013","4","11","4267","","10.1039/c3sc51773j","","","0.71073","MoKα","","0.0811","0.0516","","","0.1235","0.1346","","","","","","0.96","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514727","3.9099","0.0011","13.413","0.004","14.207","0.004","82.606","0.005","86.888","0.006","82.453","0.006","731.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,6-dichloro-1,3-diethoxycarbonylazulene","","","- C16 H14 Cl2 O4 -","- C16 H14 Cl2 O4 -","- C32 H28 Cl4 O8 -","2","1","","Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V.","The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus","Chemical Science","2013","4","11","4267","","10.1039/c3sc51773j","","","0.71073","MoKα","","0.0933","0.07","","","0.1702","0.1876","","","","","","1.017","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514728","23.574","0.002","11.1504","0.001","23.342","0.002","90","","90","","90","","6135.7","0.9","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[PPh3Au](1,3-diethoxycarbonyl-2-mercapto-6-azulenethiolate)","","","- C34 H30 Au O4 P S2 -","- C34 H30 Au O4 P S2 -","- C272 H240 Au8 O32 P8 S16 -","8","2","","Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V.","The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus","Chemical Science","2013","4","11","4267","","10.1039/c3sc51773j","","","0.71073","MoKα","","0.0342","0.0294","","","0.0698","0.0721","","","","","","0.998","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1514729","9.6661","0.0003","13.0872","0.0004","15.6977","0.0005","111.029","0.001","90.575","0.001","108.683","0.001","1738.24","0.1","100","2","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C15.5 H15 Cl3 N2 Pt S -","- C15.5 H15 Cl3 N2 Pt S -","- C62 H60 Cl12 N8 Pt4 S4 -","4","2","","Rosen, Mari S.; Stern, Charlotte L.; Mirkin, Chad A.","Heteroligated PtII Weak-Link Approach complexes using hemilabile N-heterocyclic carbene‒thioether and phosphino‒thioether ligands","Chemical Science","2013","4","11","4193","","10.1039/c3sc51557e","","","1.54178","CuKα","","0.0384","0.0377","","","0.0966","0.0971","","","","","","1.166","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1514730","9.4153","0.0005","12.0408","0.0007","16.6958","0.001","102.425","0.003","100.136","0.003","104.304","0.002","1737.82","0.18","100","2","99.99","","","","","","","","","9","P -1","-P 1","2","","","","- C35 H33 B Cl F4 N2 P Pt S2 -","- C35 H33 B Cl F4 N2 P Pt S2 -","- C70 H66 B2 Cl2 F8 N4 P2 Pt2 S4 -","2","1","","Rosen, Mari S.; Stern, Charlotte L.; Mirkin, Chad A.","Heteroligated PtII Weak-Link Approach complexes using hemilabile N-heterocyclic carbene‒thioether and phosphino‒thioether ligands","Chemical Science","2013","4","11","4193","","10.1039/c3sc51557e","","","0.71073","MoKα","","0.0313","0.0243","","","0.051","0.0546","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514731","10.295","0.0003","9.8283","0.0003","34.0318","0.0011","90","","94.67","0.001","90","","3431.99","0.18","100","2","99.95","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 B2 F8 N2 P Pt S2 -","- C35 H33 B2 F8 N2 P Pt S2 -","- C140 H132 B8 F32 N8 P4 Pt4 S8 -","4","1","","Rosen, Mari S.; Stern, Charlotte L.; Mirkin, Chad A.","Heteroligated PtII Weak-Link Approach complexes using hemilabile N-heterocyclic carbene‒thioether and phosphino‒thioether ligands","Chemical Science","2013","4","11","4193","","10.1039/c3sc51557e","","","0.71073","MoKα","","0.0398","0.038","","","0.0823","0.0829","","","","","","1.285","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514732","15.1354","0.0004","9.24","0.0003","20.128","0.0006","90","","101.781","0.002","90","","2755.63","0.14","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C30 H42 N2 Si -","- C30 H42 N2 Si -","- C120 H168 N8 Si4 -","4","1","","Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.","Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis","Chemical Science","2013","4","11","4212","","10.1039/c3sc51797g","","","0.71073","MoKα","","0.0757","0.0578","","","0.1372","0.1484","","","","","","1.105","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514733","11.294","0.0004","12.168","0.0004","13.604","0.0004","96.759","0.002","90.61","0.002","90.961","0.002","1856.13","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H58 Mg N2 O2 Si -","- C38 H58 Mg N2 O2 Si -","- C76 H116 Mg2 N4 O4 Si2 -","2","1","","Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.","Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis","Chemical Science","2013","4","11","4212","","10.1039/c3sc51797g","","","0.71073","MoKα","","0.0989","0.0612","","","0.1597","0.1843","","","","","","1.054","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514734","10.031","0.0001","30.017","0.0005","16.556","0.0003","90","","104.903","0.001","90","","4817.34","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H68 Mg N2 O3.5 Si -","- C42.05 H64 Mg N2 O3 Si -","- C168.2 H256 Mg4 N8 O12 Si4 -","4","1","","Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.","Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis","Chemical Science","2013","4","11","4212","","10.1039/c3sc51797g","","","0.71073","MoKα","","0.1607","0.0815","","","0.2128","0.2434","","","","","","0.977","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514735","10.2642","0.0002","22.7621","0.0006","20.7835","0.0005","90","","98.249","0.002","90","","4805.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H72 Ca N2 O3 Si -","- C49 H72 Ca N2 O3 Si -","- C196 H288 Ca4 N8 O12 Si4 -","4","1","","Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.","Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis","Chemical Science","2013","4","11","4212","","10.1039/c3sc51797g","","","0.71073","MoKα","","0.1379","0.0756","","","0.199","0.227","","","","","","1.078","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514736","10.37","0.0003","18.852","0.0008","12.632","0.0005","90","","113.607","0.002","90","","2262.83","0.15","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H71 N2 O4 Si Sr -","- C46 H71 N2 O4 Si Sr -","- C92 H142 N4 O8 Si2 Sr2 -","2","1","","Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.","Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis","Chemical Science","2013","4","11","4212","","10.1039/c3sc51797g","","","0.71073","MoKα","","0.109","0.064","","","0.1119","0.1238","","","","","","1.033","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514737","27.371","0.002","7.0453","0.0006","18.8951","0.0014","90","","99.01","0.007","90","","3598.7","0.5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 F3 N3 O3 -","- C20 H18 F3 N3 O3 -","- C160 H144 F24 N24 O24 -","8","1","","Lee, Min Hee; Yoon, Byungkwon; Kim, Jong Seung; Sessler, Jonathan L.","Naphthalimide trifluoroacetyl acetonate: a hydrazine-selective chemodosimetric sensor","Chemical Science","2013","4","11","4121","","10.1039/c3sc51813b","","","0.71073","MoKα","","0.1192","0.0421","","","0.0595","0.067","","","","","","0.967","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514738","11.948","0.0006","15.878","0.0008","24.9404","0.0011","90","","90","","90","","4731.5","0.4","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H77 N2 Na O3 Zn -","- C47 H77 N2 Na O3 Zn -","- C188 H308 N8 Na4 O12 Zn4 -","4","1","","Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva","Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion","Chemical Science","2013","4","11","4259","","10.1039/c3sc52101j","","","0.71073","MoKα","","0.0928","0.0557","","","0.0895","0.101","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514739","9.7795","0.0005","10.1033","0.0005","20.1669","0.0008","90.336","0.004","103.989","0.004","118.932","0.005","1674.4","0.17","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H54 N2 Zn -","- C35 H54 N2 Zn -","- C70 H108 N4 Zn2 -","2","1","","Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva","Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion","Chemical Science","2013","4","11","4259","","10.1039/c3sc52101j","","","1.5418","CuKα","","0.0425","0.0388","","","0.0963","0.0989","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514740","12.5177","0.0002","33.2445","0.0006","18.2146","0.0003","90","","100.694","0.002","90","","7448.3","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H127 N2 Na O7 Zn2 -","- C71 H127 N2 Na O7 Zn2 -","- C284 H508 N8 Na4 O28 Zn8 -","4","1","","Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva","Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion","Chemical Science","2013","4","11","4259","","10.1039/c3sc52101j","","","0.71073","MoKα","","0.0979","0.0781","","","0.1498","0.1585","","","","","","1.178","","","","has coordinates,has disorder","211196","2020-10-21","18:00:00",""
"1514741","21.8628","0.0013","22.1892","0.0011","31.9347","0.0014","90","","90","","90","","15492.1","1.4","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H63 Li N2 Zn -","- C39 H63 Li N2 Zn -","- C624 H1008 Li16 N32 Zn16 -","16","2","","Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva","Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion","Chemical Science","2013","4","11","4259","","10.1039/c3sc52101j","","","0.71073","MoKα","","0.2203","0.0897","","","0.1845","0.2639","","","","","","0.915","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514742","9.2833","0.0003","14.4759","0.0003","16.9188","0.0004","68.109","0.002","81.38","0.002","86.27","0.002","2085.74","0.1","150","0.1","150","0.1","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C45 H50 Au2 Cl N2 P -","- C45 H50 Au2 Cl N2 P -","- C90 H100 Au4 Cl2 N4 P2 -","2","1","","Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva","Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion","Chemical Science","2013","4","11","4259","","10.1039/c3sc52101j","","","1.5418","CuKα","","0.0382","0.0311","","","0.0764","0.0804","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514743","11.822","0.003","47.948","0.009","12.119","0.003","90","","104.545","0.006","90","","6649","3","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H12 Br F3 O2 -","- C18 H12 Br F3 O2 -","- C288 H192 Br16 F48 O32 -","16","8","","Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.","Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study","Chemical Science","2013","4","11","4146","","10.1039/c3sc51791h","","","0.71073","MoKα","","0.1084","0.0638","","","0.1433","0.1668","","","","","","0.971","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514744","6.039","0.005","27.449","0.018","11.299","0.008","90","","104.404","0.013","90","","1814","2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 F3 O2 -","- C22 H19 F3 O2 -","- C88 H76 F12 O8 -","4","2","","Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.","Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study","Chemical Science","2013","4","11","4146","","10.1039/c3sc51791h","","","1.54178","CuKα","","0.1492","0.1131","","","0.2972","0.3357","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514745","7.934","0.002","10.719","0.003","18.419","0.005","90","","90","","90","","1566.4","0.7","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 S -","- C19 H20 N2 S -","- C76 H80 N8 S4 -","4","1","","Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.","Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study","Chemical Science","2013","4","11","4146","","10.1039/c3sc51791h","","","0.71075","MoKα","","","0.0482","","","","0.1333","","","","","","0.661","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514746","19.358","0.01","9.419","0.005","8.186","0.004","90","","90.979","0.016","90","","1492.4","1.3","93","","93","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H17 F3 O2 -","- C18 H17 F3 O2 -","- C72 H68 F12 O8 -","4","1","","Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.","Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study","Chemical Science","2013","4","11","4146","","10.1039/c3sc51791h","","","0.71075","MoKα","","","0.0584","","","","0.1899","","","","","","1.063","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514747","8.3666","0.0009","10.8236","0.0011","17.2119","0.0018","84.42","0.006","79.713","0.005","75.288","0.006","1481.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","HP.BPE-m-dichlorobenzene","1-(2,4,6-Trihydroxyphenyl)heptan-1-one trans-1,2-bis(4-pyridyl)ethene 1,3-dichlorobenzene","","- C31 H32 Cl2 N2 O4 -","- C31 H32 Cl2 N2 O4 -","- C62 H64 Cl4 N4 O8 -","2","1","","Ghorai, Suman; Sumrak, Joseph C.; Hutchins, Kristin M.; Bučar, Dejan-Krešimir; Tivanski, Alexei V.; MacGillivray, Leonard R.","From co-crystals to functional thin films: photolithography using [2+2] photodimerization","Chemical Science","2013","4","11","4304","","10.1039/c3sc51073e","","","0.71073","MoKα","","0.1585","0.0857","","","0.2737","0.3185","","","","","","1.078","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514748","32.0273","0.0003","32.0273","0.0003","29.1427","0.0007","90","","90","","120","","25888.2","0.7","123","2","123","2","","","","","","","","6","P 6 2 2","P 6 2","177","","","","- C160 H178 Cd3 N14 O27 Ti4 -","- C159.99 H171.99 Cd3 N14.01 O27 Ti4 -","- C639.96 H687.96 Cd12 N56.04 O108 Ti16 -","4","0.333333","","Xuan, Weimin; Ye, Chengcheng; Zhang, Mengni; Chen, Zhijie; Cui, Yong","A chiral porous metallosalan-organic framework containing titanium-oxo clusters for enantioselective catalytic sulfoxidation","Chemical Science","2013","4","8","3154","","10.1039/c3sc50487e","","","1.54178","CuKα","","0.1267","0.0966","","","0.2253","0.2452","","","","","","1.155","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514749","9.4797","0.0006","45.49","0.003","21.7415","0.0013","90","","92.764","0.003","90","","9364.7","1","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 B2 O3 -","- C24 H16 B2 O3 -","- C480 H320 B40 O60 -","20","5","","Dimitrijević, Elena; Taylor, Mark S.","9-Hetero-10-boraanthracene-derived borinic acid catalysts for regioselective activation of polyols","Chemical Science","2013","4","8","3298","","10.1039/c3sc51172c","","","1.54178","CuKα","","0.0721","0.0595","","","0.1509","0.1593","","","","","","1.067","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514750","10.6981","0.0004","14.3379","0.0007","26.3743","0.0011","90","","90","","90","","4045.5","0.3","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H22 B2 N2 O -","- C26 H22 B2 N2 O -","- C208 H176 B16 N16 O8 -","8","1","","Dimitrijević, Elena; Taylor, Mark S.","9-Hetero-10-boraanthracene-derived borinic acid catalysts for regioselective activation of polyols","Chemical Science","2013","4","8","3298","","10.1039/c3sc51172c","","","1.54178","CuKα","","0.0595","0.0445","","","0.1119","0.1211","","","","","","1.057","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514752","13.583","0.004","15.995","0.005","16.961","0.005","110.618","0.007","111.892","0.006","93.2","0.006","3125.1","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H97 N O6 S Si9 -","- C47 H97 N O6 S Si9 -","- C94 H194 N2 O12 S2 Si18 -","2","1","","Brady, Patrick B.; Albert, Brian J.; Akakura, Matsujiro; Yamamoto, Hisashi","Controlling stereochemistry in polyketide synthesis: 1,3- vs. 1,2-asymmetric induction in methyl ketone aldol additions to β-super siloxy aldehydes","Chemical Science","2013","4","8","3223","","10.1039/c3sc51183a","","","0.71073","MoKα","","0.162","0.0691","","","0.1018","0.121","","","","","","0.726","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514754","17.564","0.004","25.629","0.005","20.8","0.004","90","","90","","90","","9363","3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C79.5 H115.5 Co3 N8.5 O34.5 -","- C57 H31 Co3 N O15 -","- C228 H124 Co12 N4 O60 -","4","0.5","","Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters","Chemical Science","2013","4","8","3232","","10.1039/c3sc51379c","","","0.71073","MoKα","","0.2561","0.1113","","","0.2894","0.3548","","","","","","0.982","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514755","17.5608","0.001","25.3474","0.0017","20.8804","0.0019","90","","90","","90","","9294.3","1.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C79.5 H109.5 Co3 N8.5 O31.5 -","- C54 H30 Co3 O15 -","- C216 H120 Co12 O60 -","4","0.5","","Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters","Chemical Science","2013","4","8","3232","","10.1039/c3sc51379c","","","0.71073","MoKα","","0.1882","0.1157","","","0.2997","0.3412","","","","","","0.922","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514756","17.446","0.004","27.758","0.006","18.762","0.004","90","","90","","90","","9086","3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C78 H106 Co3 N8 O31 -","- C57 H31 Co3 N O16 -","- C228 H124 Co12 N4 O64 -","4","0.5","","Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters","Chemical Science","2013","4","8","3232","","10.1039/c3sc51379c","","","0.71073","MoKα","","0.1485","0.0917","","","0.2542","0.2809","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514757","27.2496","0.0001","27.2496","0.0001","27.2496","0.0001","90","","90","","90","","20233.9","0.13","173","2","173","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C122 H178 Co6 N14 O46 -","- C72 H40 Co6 O26 -","- C432 H240 Co36 O156 -","6","0.125","","Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters","Chemical Science","2013","4","8","3232","","10.1039/c3sc51379c","","","1.54178","CuKα","","0.1667","0.1274","","","0.322","0.352","","","","","","1.591","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514759","7.7537","0.0002","8.7833","0.0003","28.0793","0.001","90","","90","","90","","1912.29","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 I2 O2 -","- C18 H18 I2 O2 -","- C72 H72 I8 O8 -","4","1","","Gómez-Bengoa, Enrique; García, Jesús M.; Jiménez, Sandra; Lapuerta, Irati; Mielgo, Antonia; Odriozola, José M.; Otazo, Itziar; Razkin, Jesús; Urruzuno, Iñaki; Vera, Silvia; Oiarbide, Mikel; Palomo, Claudio","Asymmetric synthesis of propargylic alcohols via aldol reaction of aldehydes with ynals promoted by prolinol ether–transition metal–Brønsted acid cooperative catalysis","Chemical Science","2013","4","8","3198","","10.1039/c3sc51027a","","","0.71073","MoKα","","0.0235","0.0204","","","0.0485","0.0659","","","","","","1.164","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514761","10.2738","0.0001","11.207","0.0001","19.0373","0.0002","90","","90","","90","","2191.93","0.04","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","1","","Farmer, Rebecca L.; Scheidt, Karl A.","A Concise Enantioselective Synthesis and Cytotoxic Evaluation of the Anticancer Rotenoid Deguelin Enabled by a Tandem Knoevenagel/Conjugate Addition/Decarboxylation Sequence.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3304","3309","10.1039/C3SC50424G","","","0.71073","MoKα","","0.0441","0.0357","","","0.0964","0.1013","","","","","","1.057","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514762","19.3718","0.0002","20.1092","0.0002","21.506","0.0002","90","","93.7932","0.0003","90","","8359.34","0.14","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","((Bicyclo[2.2.1]hepta-2,5-diene)((rac)-bis-2,2'-(diphenylphosphino)-1,1' -binaphthalene)rhodium)((rac)-bis-(1,1'-binaphthalen-2,2'-dioxo)boronate).","","- C95 H74 B Cl6 O4 P2 Rh -","- C95 H74 B Cl6 O4 P2 Rh -","- C380 H296 B4 Cl24 O16 P8 Rh4 -","4","1","","Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M.","Chiral recognition in contact ion-pairs; observation, characterization and analysis","Chemical Science","2013","4","8","3140","","10.1039/c3sc51096d","","","0.71073","MoKα","","0.0703","0.0514","","0.1458","0.1331","0.1456","","","","","","0.9999","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514763","15.7224","0.0003","20.2138","0.0004","25.7426","0.0006","90","","90","","90","","8181.2","0.3","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","((Bicyclo[2.2.1]hepta-2,5-diene)((R)-bis-2,2'-(diphenylphosphino)-1,1' -binaphthalene)rhodium)((S,S)-bis-(1,1'-binaphthalen-2,2'-dioxo)boronate).","","- C98 H80 B Cl6 O5 P2 Rh -","- C98 H80 B Cl6 O5 P2 Rh -","- C392 H320 B4 Cl24 O20 P8 Rh4 -","4","1","","Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M.","Chiral recognition in contact ion-pairs; observation, characterization and analysis","Chemical Science","2013","4","8","3140","","10.1039/c3sc51096d","","","0.71073","MoKα","","0.1012","0.055","","0.104","0.0578","0.0578","","","","","","1.095","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514764","11.8286","0.0002","25.5279","0.0004","14.3047","0.0002","90","","111.974","0.0008","90","","4005.65","0.11","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","7","P 1 21 1","P 2yb","4","","((Bicyclo[2.2.1]hepta-2,5-diene)((R)-bis-2,2'-(diphenylphosphino)-1,1'-binaphthalene)rhodium) ((R,R)-bis-(1,1'-binaphthalen-2,2'-dioxo)boronate).","","- C96 H76 B Cl8 O4 P2 Rh -","- C96 H76 B Cl8 O4 P2 Rh -","- C192 H152 B2 Cl16 O8 P4 Rh2 -","2","1","","Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M.","Chiral recognition in contact ion-pairs; observation, characterization and analysis","Chemical Science","2013","4","8","3140","","10.1039/c3sc51096d","","","0.71073","MoKα","","0.0751","0.0432","","0.0814","0.0464","0.0464","","","","","","1.1097","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514765","16.179","0.007","17.461","0.008","32.012","0.015","90","","95.835","0.006","90","","8997","7","100","","100","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C200 H256 Si8 -","- C176 H200 Si8 -","- C352 H400 Si16 -","2","0.5","","Matsuno, Taisuke; Kamata, Sho; Hitosugi, Shunpei; Isobe, Hiroyuki","Bottom-up synthesis and structures of π-lengthened tubular macrocycles","Chemical Science","2013","4","8","3179","","10.1039/c3sc50645b","","","0.71073","MoKα","","0.1715","0.1535","","","0.4279","0.4429","","","","","","1.929","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514766","22.0395","0.0005","16.0165","0.0004","39.3819","0.0007","90","","90","","90","","13901.6","0.5","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H78 Br6 Dy N9 O14 Zn2 -","- C58 H76.5 Br6 Dy N9 O13.25 Zn2 -","- C464 H612 Br48 Dy8 N72 O106 Zn16 -","8","1","","Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang","Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh","Chemical Science","2013","4","8","3310","","10.1039/c3sc50843a","","","0.71073","MoKα","","0.1014","0.0821","","","0.2161","0.2339","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514767","20.5186","0.0014","16.4699","0.0011","37.585","0.003","90","","90","","90","","12701.4","1.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H62 Br6 Dy N9 O10 Zn2 -","- C54 H62 Br6 Dy N9 O10 Zn2 -","- C432 H496 Br48 Dy8 N72 O80 Zn16 -","8","1","","Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang","Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh","Chemical Science","2013","4","8","3310","","10.1039/c3sc50843a","","","0.71073","MoKα","","0.1746","0.0725","","","0.1359","0.1736","","","","","","0.944","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514768","21.893","0.0015","15.9613","0.0015","39.306","0.003","90","","90","","90","","13735.1","1.9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H78 Br6 Dy N9 O14 Zn2 -","- C55 H64 Br6 Dy N9 O10 Zn2 -","- C440 H512 Br48 Dy8 N72 O80 Zn16 -","8","1","","Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang","Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh","Chemical Science","2013","4","8","3310","","10.1039/c3sc50843a","","","0.71073","MoKα","","0.183","0.0924","","","0.2242","0.2621","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514769","10.5882","0.0011","16.8592","0.0017","20.8","0.002","74.883","0.001","79.955","0.001","76.103","0.001","3454.7","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 Ag2 F3 N4 O6 S -","- C67 H93 Ag2 F3 N4 O6 S -","- C134 H186 Ag4 F6 N8 O12 S2 -","2","1","","Tate, Brandon K.; Wyss, Chelsea M.; Bacsa, John; Kluge, Kelly; Gelbaum, Leslie; Sadighi, Joseph P.","A dinuclear silver hydride and an umpolung reaction of CO2","Chemical Science","2013","4","8","3068","","10.1039/c3sc50896j","","","0.71073","MoKα","","0.0859","0.0514","","","0.1206","0.1399","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514770","14.8245","0.0014","23.508","0.002","19.9054","0.0019","90","","110.118","0.001","90","","6513.7","1","173.2","","173.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H93 Ag2 F3 N4 O5 S -","- C63 H93 Ag2 F3 N4 O5 S -","- C252 H372 Ag8 F12 N16 O20 S4 -","4","1","","Tate, Brandon K.; Wyss, Chelsea M.; Bacsa, John; Kluge, Kelly; Gelbaum, Leslie; Sadighi, Joseph P.","A dinuclear silver hydride and an umpolung reaction of CO2","Chemical Science","2013","4","8","3068","","10.1039/c3sc50896j","","","0.71073","MoKα","","0.0854","0.0502","","","0.1214","0.1406","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514771","11.445","0.002","12.104","0.002","17.978","0.004","77.35","0.03","76.4","0.03","65.63","0.03","2184","0.9","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 F6 N4 O8 S2 -","- C44 H30 F6 N4 O6 S2 -","- C88 H60 F12 N8 O12 S4 -","2","1","","Wang, Kai; Huang, Shuo; Zhang, Yu; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue","Multicolor fluorescence and electroluminescence of an ICT-type organic solid tuned by modulating the accepting nature of the central core","Chemical Science","2013","4","8","3288","","10.1039/c3sc51091c","","","0.71073","MoKα","","0.1603","0.1054","","","0.2949","0.3367","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514772","9.6569","0.0019","10.14","0.002","18.898","0.005","90","","118.42","0.02","90","","1627.5","0.7","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 N4 S2 -","- C40 H28 N4 S2 -","- C80 H56 N8 S4 -","2","0.5","","Wang, Kai; Huang, Shuo; Zhang, Yu; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue","Multicolor fluorescence and electroluminescence of an ICT-type organic solid tuned by modulating the accepting nature of the central core","Chemical Science","2013","4","8","3288","","10.1039/c3sc51091c","","","0.71073","MoKα","","0.0597","0.0401","","","0.0913","0.1","","","","","","1.051","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514773","11.6522","0.0013","5.4552","0.0006","11.4821","0.0012","90","","90.607","0.002","90","","729.82","0.14","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","zethrene","Dibenzo[de,mn]naphthacene","","- C24 H14 -","- C24 H14 -","- C48 H28 -","2","0.5","","Shan, Liang; Liang, Zhixiong; Xu, Xiaomin; Tang, Qin; Miao, Qian","Revisiting zethrene: synthesis, reactivity and semiconductor properties","Chemical Science","2013","4","8","3294","","10.1039/c3sc51158h","","","0.71073","MoKα","","0.0801","0.069","","","0.1846","0.2106","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514774","21.545","0.003","23.046","0.003","23.372","0.003","94.535","0.001","115.193","0.001","115.679","0.001","8956","2","123","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C216 H289 Cl2 Gd36 N51 O193 -","- C216 H144 Cl2 Gd36 N51 O193 -","- C216 H144 Cl2 Gd36 N51 O193 -","1","0.5","","Wu, Mingyan; Jiang, Feilong; Kong, Xiangjian; Yuan, Daqiang; Long, Lasheng; Al-Thabaiti, Shaeel A.; Hong, Maochun","Two polymeric 36-metal pure lanthanide nanosize clusters","Chemical Science","2013","4","8","3104","","10.1039/c3sc50887k","","","0.71073","MoKα","","0.0488","0.04","","","0.1371","0.1477","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514775","21.545","0.004","22.886","0.005","23.17","0.004","94.32","","115.373","0.002","115.639","0.001","8817","3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C216 H289 Cl2 Dy36 N51 O193 -","- C216 H142 Cl2 Dy36 N51 O193 -","- C216 H142 Cl2 Dy36 N51 O193 -","1","0.5","","Wu, Mingyan; Jiang, Feilong; Kong, Xiangjian; Yuan, Daqiang; Long, Lasheng; Al-Thabaiti, Shaeel A.; Hong, Maochun","Two polymeric 36-metal pure lanthanide nanosize clusters","Chemical Science","2013","4","8","3104","","10.1039/c3sc50887k","","","0.71073","MoKα","","0.0548","0.0422","","","0.1232","0.169","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514776","9.7839","0.0004","16.5231","0.0008","24.2524","0.0012","90","","90","","90","","3920.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 Cl2 N4 O7 S Si -","- C38 H42 Cl2 N4 O7 S Si -","- C152 H168 Cl8 N16 O28 S4 Si4 -","4","1","","Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad","Concise Total Synthesis of (+)-Bionectins A and C.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3191","3197","10.1039/C3SC51150B","","","0.71073","MoKα","","0.0544","0.0485","","","0.1186","0.1218","","","","","","1.1","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514777","13.7346","0.001","16.0038","0.0011","17.3585","0.0013","100.01","0.001","92.214","0.001","108.59","0.001","3543.2","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C32.33 H36.66 Cl0.66 N4 O10 S Si -","- C32.3305 H36.661 Cl0.661 N4 O10 S Si -","- C129.322 H146.644 Cl2.644 N16 O40 S4 Si4 -","4","4","","Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad","Concise Total Synthesis of (+)-Bionectins A and C.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3191","3197","10.1039/C3SC51150B","","","0.71073","MoKα","","0.094","0.0751","","","0.2013","0.2202","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514778","12.8803","0.0007","10.3954","0.0006","16.5478","0.0009","90","","90.063","0.001","90","","2215.7","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H50 N4 O14 S -","- C45 H50 N4 O14 S -","- C90 H100 N8 O28 S2 -","2","1","","Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad","Concise Total Synthesis of (+)-Bionectins A and C.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3191","3197","10.1039/C3SC51150B","","","0.71073","MoKα","","0.0311","0.0301","","","0.0833","0.0843","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514779","11.6928","0.0007","11.2669","0.0006","20.6483","0.0011","90","","96.676","0.001","90","","2701.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H21 N5 O6 S2 -","- C29 H21 N5 O6 S2 -","- C116 H84 N20 O24 S8 -","4","2","","Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad","Concise Total Synthesis of (+)-Bionectins A and C.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3191","3197","10.1039/C3SC51150B","","","0.71073","MoKα","","0.0512","0.0465","","","0.1452","0.1496","","","","","","1.231","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514780","11.106","0.002","16.93","0.003","22","0.004","90","","91.61","0.03","90","","4134.9","1.3","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 F9 La N9 O10 P S4 -","- C28 H32 F9 La N9 O10 P S4 -","- C112 H128 F36 La4 N36 O40 P4 S16 -","4","1","","Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank","Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes","Chemical Science","2013","4","9","3717","","10.1039/c3sc50708d","","","0.71073","MoKα","","0.1073","0.0555","","","0.0924","0.1109","","","","","","0.946","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514781","9.764","0.002","19.857","0.004","22.899","0.005","90","","97.37","0.03","90","","4403.1","1.6","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H61 F18 N19 O19 P2 S8 Sm2 -","- C54 H61 F18 N19 O19 P2 S8 Sm2 -","- C108 H122 F36 N38 O38 P4 S16 Sm4 -","2","0.5","","Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank","Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes","Chemical Science","2013","4","9","3717","","10.1039/c3sc50708d","","","0.71073","MoKα","","0.0945","0.0601","","","0.1423","0.1644","","","","","","1.005","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514782","13.2866","0.0004","13.3751","0.0005","13.849","0.0005","83.93","","70.156","0.001","80.123","0.001","2277.65","0.14","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","1,2-bis(2,2,4,4,5,5-hexakis(2,4,6-trimethylphenyl)- 3-methyl-2,4,5-trisila-1,3- distannabicylo[1.1.1]pentan)ethyne","","- C30 H33 F9 N12 O9 P Pu S4 -","- C30 H33 F9 N12 O9 P Pu S4 -","- C60 H66 F18 N24 O18 P2 Pu2 S8 -","2","1","","Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank","Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes","Chemical Science","2013","4","9","3717","","10.1039/c3sc50708d","","","0.71073","MoKα","","0.0203","0.0193","","","0.0487","0.0493","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514783","14.9461","0.0004","7.3243","0.0002","15.6793","0.0004","90","","112.463","0.002","90","","1586.18","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N4 Ni -","- C17 H20 N4 Ni -","- C68 H80 N16 Ni4 -","4","1","","Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.","Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)","Chemical Science","2013","4","9","3636","","10.1039/c3sc50743b","","","0.71073","MoKα","","0.0422","0.032","","","0.0876","0.0939","","","","","","1.044","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514784","10.076","0.0007","10.6657","0.0007","19.6623","0.0014","90.05","0.003","97.94","0.003","105.384","0.003","2016.3","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H40 F6 N8 Ni2 O6 S2 -","- C36 H40 F6 N8 Ni2 O6 S2 -","- C72 H80 F12 N16 Ni4 O12 S4 -","2","1","","Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.","Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)","Chemical Science","2013","4","9","3636","","10.1039/c3sc50743b","","","0.71073","MoKα","","0.0385","0.028","","","0.0676","0.0733","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514785","10.5982","0.0008","12.3634","0.0008","19.8165","0.0013","90","","95.155","0.003","90","","2586","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 K N4 Ni O2 -","- C25 H36 K N4 Ni O2 -","- C100 H144 K4 N16 Ni4 O8 -","4","1","","Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.","Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)","Chemical Science","2013","4","9","3636","","10.1039/c3sc50743b","","","0.71073","MoKα","","0.0511","0.0355","","","0.0864","0.0952","","","","","","1.016","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514786","9.223","0.0004","23.7522","0.0008","15.2139","0.0006","90","","107.35","0.001","90","","3181.2","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C23 H29 F12 N7 Ni P2 -","- C23 H29 F12 N7 Ni P2 -","- C92 H116 F48 N28 Ni4 P8 -","4","1","","Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.","Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)","Chemical Science","2013","4","9","3636","","10.1039/c3sc50743b","","","0.71073","MoKα","","0.0303","0.0282","","","0.0781","0.0796","","","","","","1.051","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514787","12.7277","0.0011","21","0.002","28.837","0.003","90","","99.126","0.004","90","","7610","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H56 K N6 Ni O6 -","- C35 H56 K N6 Ni O6 -","- C280 H448 K8 N48 Ni8 O48 -","8","2","","Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.","Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)","Chemical Science","2013","4","9","3636","","10.1039/c3sc50743b","","","0.71073","MoKα","","0.1258","0.0695","","","0.1682","0.2094","","","","","","1.012","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514788","34.46","0.007","10.852","0.005","23.144","0.004","90","","100.903","0.004","90","","8499","5","243","2","243","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H106 K2 N12 Ni O12 -","- C70 H106 K2 N12 Ni O12 -","- C280 H424 K8 N48 Ni4 O48 -","4","0.5","","Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.","Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)","Chemical Science","2013","4","9","3636","","10.1039/c3sc50743b","","","0.71073","MoKα","","0.0676","0.0413","","","0.0942","0.1028","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514789","9.7242","0.0001","17.6641","0.0002","25.6425","0.0002","90","","90","","90","","4404.59","0.08","173","0.14","173","0.14","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C31 H22 N2 -","- C31 H22 N2 -","- C248 H176 N16 -","8","1","","Yang, Zhiyong; Qin, Wei; Lam, Jacky W. Y.; Chen, Sijie; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","Fluorescent pH sensor constructed from a heteroatom-containing luminogen with tunable AIE and ICT characteristics","Chemical Science","2013","4","9","3725","","10.1039/c3sc50648g","","x-ray","1.5418","CuKα","","0.0355","0.032","","","0.0835","0.0865","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514790","9.1485","0.0006","13.8946","0.0008","10.4647","0.0007","90","","102.948","0.006","90","","1296.4","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Cui, Sunliang; Zhang, Yan; Wu, Qifan","Rh(iii)-catalyzed C–H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation","Chemical Science","2013","4","9","3421","","10.1039/c3sc51424b","","","0.71073","MoKα","","0.065","0.0419","","","0.0902","0.1042","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514791","23.247","0.0016","9.9836","0.0007","16.0069","0.0011","90","","90.649","0.006","90","","3714.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H18.5 Cl2.5 N O -","- C19.5 H18.5 Cl2.5 N O -","- C156 H148 Cl20 N8 O8 -","8","2","","Cui, Sunliang; Zhang, Yan; Wu, Qifan","Rh(iii)-catalyzed C–H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation","Chemical Science","2013","4","9","3421","","10.1039/c3sc51424b","","","0.71073","MoKα","","0.1281","0.0757","","","0.2056","0.2495","","","","","","1.047","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514792","9.7761","0.0009","14.7382","0.001","24.0669","0.0016","90","","90","","90","","3467.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Cl3 N O2 -","- C16 H14 Cl3 N O2 -","- C128 H112 Cl24 N8 O16 -","8","1","","Cui, Sunliang; Zhang, Yan; Wu, Qifan","Rh(iii)-catalyzed C–H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation","Chemical Science","2013","4","9","3421","","10.1039/c3sc51424b","","","0.71073","MoKα","","0.1182","0.0901","","","0.2524","0.2826","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514793","6.4122","0.0019","12.077","0.004","16.676","0.005","90","","90","","90","","1291.4","0.7","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Ozaki, Kyohei; Zhang, Hua; Ito, Hideto; Lei, Aiwen; Itami, Kenichiro","One-shot indole-to-carbazole π-extension by a Pd–Cu–Ag trimetallic system","Chemical Science","2013","4","9","3416","","10.1039/c3sc51447a","","","0.7107","MoKα","","0.0538","0.0477","","","0.0909","0.0942","","","","","","1.113","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514794","8.906","0.0009","17.7086","0.0017","17.021","0.0017","90","","91.073","0.004","90","","2684","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H28.5 Cl1.5 N4 O6 Ru -","- C24.5 H28.5 Cl1.5 N4 O6 Ru -","- C98 H114 Cl6 N16 O24 Ru4 -","4","1","","Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W.","Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study","Chemical Science","2013","4","9","3731","","10.1039/c3sc51530c","","","0.71073","MoKα","","0.044","0.0382","","","0.1007","0.104","","","","","","1.215","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514795","23.297","0.002","12.4626","0.0012","25.803","0.003","90","","115.977","0.004","90","","6734.8","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H31 Cl3 N4 O6 Ru -","- C34 H31 Cl3 N4 O6 Ru -","- C272 H248 Cl24 N32 O48 Ru8 -","8","1","","Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W.","Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study","Chemical Science","2013","4","9","3731","","10.1039/c3sc51530c","","","0.71073","MoKα","","0.0411","0.0296","","","0.0717","0.0793","","","","","","1.058","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514796","9.1898","0.0003","11.3905","0.0004","16.2931","0.0006","78.018","0.003","82.142","0.003","76.846","0.003","1617.39","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58 Cl4 Co2 N8 O21 -","- C66 H58 Cl4 Co2 N8 O21 -","- C66 H58 Cl4 Co2 N8 O21 -","1","0.5","","Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W.","Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study","Chemical Science","2013","4","9","3731","","10.1039/c3sc51530c","","","0.71073","MoKα","","0.058","0.0489","","","0.121","0.1268","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514797","7.6678","0.001","13.5683","0.0018","14.958","0.002","90","","90","","90","","1556.2","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","toste70","toste70","","- C14 H17 Br N2 O4 S -","- C14 H17 Br N2 O4 S -","- C56 H68 Br4 N8 O16 S4 -","4","1","","Miles, Dillon H.; Veguillas, Marcos; Toste, F. Dean","Gold(i)-catalyzed enantioselective bromocyclization reactions of allenes","Chemical Science","2013","4","9","3427","","10.1039/c3sc50811k","","","1.54178","CuKα","","0.0159","0.0159","","","0.0411","0.0411","","","","","","1.183","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514798","9.876","0.002","9.295","0.0019","22.594","0.006","90","","106.8","0.03","90","","1985.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cu N5 O4 -","- C21 H18 Cu N5 O4 -","- C84 H72 Cu4 N20 O16 -","4","1","","Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He","A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions","Chemical Science","2013","4","9","3678","","10.1039/c3sc00057e","","","0.71073","MoKα","","0.1471","0.0938","","","0.193","0.2174","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514799","9.399","0.0019","9.848","0.002","21.834","0.004","90","","102.09","0.03","90","","1976.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cu N5 O4 -","- C20 H16 Cu N5 O4 -","- C80 H64 Cu4 N20 O16 -","4","1","","Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He","A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions","Chemical Science","2013","4","9","3678","","10.1039/c3sc00057e","","","0.71073","MoKα","","0.1686","0.0962","","","0.2284","0.2701","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514800","9.93","0.002","9.3445","0.0019","22.717","0.006","90","","106.94","0.03","90","","2016.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cu N5 O4 -","- C21 H18 Cu N5 O4 -","- C84 H72 Cu4 N20 O16 -","4","1","","Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He","A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions","Chemical Science","2013","4","9","3678","","10.1039/c3sc00057e","","","0.71073","MoKα","","0.2335","0.1033","","","0.2001","0.2574","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514801","9.3736","0.001","15.178","0.0011","10.1053","0.0009","90","","107.302","0.004","90","","1372.7","0.2","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H28 Cl3 N O6 Pd S -","- C24 H28 Cl3 N O6 Pd S -","- C48 H56 Cl6 N2 O12 Pd2 S2 -","2","1","","Yamaguchi, Kazuya; Kondo, Hiroki; Yamaguchi, Junichiro; Itami, Kenichiro","Aromatic C‒H coupling with hindered arylboronic acids by Pd/Fe dual catalysts","Chemical Science","2013","4","9","3753","","10.1039/c3sc51206a","","","0.7107","MoKα","","0.0289","0.0261","","","0.0686","0.0696","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514802","10.0198","0.0003","11.1462","0.0003","19.6789","0.0005","85.018","0.001","79.607","0.002","74.258","0.001","2078.99","0.1","135","","135","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H51 N3 P3 V -","- C45 H51 N3 P3 V -","- C90 H102 N6 P6 V2 -","2","1","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Vanadium–iron complexes featuring metal–metal multiple bonds","Chemical Science","2013","4","9","3557","","10.1039/c3sc51337h","","","0.71073","MoKα","","0.0442","0.0322","","0.0834","0.0754","0.0834","","","","","","0.9947","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514803","10.7003","0.0003","22.3479","0.0005","22.519","0.0005","62.001","0.001","81.313","0.001","88.637","0.001","4693.3","0.2","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H57 Fe I N3 O0.75 P3 V -","- C48 H57 Fe I N3 O0.75 P3 V -","- C192 H228 Fe4 I4 N12 O3 P12 V4 -","4","2","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Vanadium‒iron complexes featuring metal‒metal multiple bonds","Chemical Science","2013","4","9","3557","","10.1039/c3sc51337h","","","0.71073","MoKα","","0.055","0.0364","","0.0802","0.0756","0.0802","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514804","16.3841","0.0005","16.3841","0.0005","22.8729","0.0009","90","","90","","120","","5317.4","0.3","120","","120","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C48 H60 Fe N3 P4 V -","- C48 H60 Fe N3 P4 V -","- C192 H240 Fe4 N12 P16 V4 -","4","0.333333","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Vanadium–iron complexes featuring metal–metal multiple bonds","Chemical Science","2013","4","9","3557","","10.1039/c3sc51337h","","","0.71073","MoKα","","0.0446","0.0324","","0.0993","0.0871","0.0993","","","","","","1.013","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514805","13.0944","0.0003","14.5742","0.0004","28.469","0.0008","90","","95.9356","0.0014","90","","5403.9","0.2","135","","135","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H69 Fe N4 P4 V -","- C60 H69 Fe N4 P4 V -","- C240 H276 Fe4 N16 P16 V4 -","4","1","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Vanadium–iron complexes featuring metal–metal multiple bonds","Chemical Science","2013","4","9","3557","","10.1039/c3sc51337h","","","0.71073","MoKα","","0.0859","0.0487","","0.1004","0.0915","0.1004","","","","","","0.9637","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514806","10.7611","0.0003","22.0867","0.0006","22.4678","0.0007","63.268","0.001","80.585","0.002","85.642","0.002","4705.1","0.2","120","","120","","","","","","","","","9","P -1","-P 1","2","","","","- C48 H57 F Fe I N3 O0.75 P3 V -","- C48 H57 F Fe I N3 O0.75 P3 V -","- C192 H228 F4 Fe4 I4 N12 O3 P12 V4 -","4","2","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Vanadium‒iron complexes featuring metal‒metal multiple bonds","Chemical Science","2013","4","9","3557","","10.1039/c3sc51337h","","","0.71073","MoKα","","0.0538","0.0356","","0.0745","0.0694","0.0745","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514807","8.0672","0.0011","13.6398","0.0012","12.88","0.002","90","","100.756","0.013","90","","1392.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Cl2 N4 Ni -","- C10 H20 Cl2 N4 Ni -","- C40 H80 Cl8 N16 Ni4 -","4","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0373","0.031","","","0.0813","0.0847","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514808","7.768","0.002","12.985","0.003","19.423","0.004","90","","90","","90","","1959.1","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H13 Cl2 N2 P -","- C6 H13 Cl2 N2 P -","- C48 H104 Cl16 N16 P8 -","8","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0358","0.0316","","","0.0845","0.0879","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514809","19.24","0.003","11.531","0.003","15.038","0.003","90","","128.66","0.03","90","","2605.2","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 Cl2 N2 P -","- C11 H15 Cl2 N2 P -","- C88 H120 Cl16 N16 P8 -","8","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0348","0.0305","","","0.0975","0.1014","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514810","11.4381","0.001","7.717","0.0007","12.979","0.0011","90","","122.697","0.006","90","","964.09","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 Cl3 N2 P -","- C5 H10 Cl3 N2 P -","- C20 H40 Cl12 N8 P4 -","4","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0336","0.0309","","","0.0854","0.0869","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514811","8.9858","0.0004","12.0174","0.0006","13.4315","0.0007","90","","104.706","0.003","90","","1402.9","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Cl2 N4 Pd -","- C10 H20 Cl2 N4 Pd -","- C40 H80 Cl8 N16 Pd4 -","4","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0297","0.026","","","0.0749","0.0773","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514812","7.375","0.003","7.56","0.002","8.6846","0.0015","74.688","0.016","76.04","0.02","62.6","0.02","410.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 F4 N2 P -","- C5 H11 F4 N2 P -","- C10 H22 F8 N4 P2 -","2","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent – synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0556","0.0537","","","0.1506","0.1532","","","","","","1.012","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514813","12.8424","0.0006","12.65","0.0006","13.2356","0.0006","90","","90","","90","","2150.21","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H10 Cl4 N2 Si -","- C5 H10 Cl4 N2 Si -","- C40 H80 Cl32 N16 Si8 -","8","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent – synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0427","0.0288","","","0.0715","0.0819","","","","","","1.024","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514814","7.1257","0.0006","9.7812","0.0009","14.6087","0.0013","74.587","0.001","81.231","0.001","70.49","0.001","922.94","0.14","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H18 Fe -","- C26 H18 Fe -","- C52 H36 Fe2 -","2","1","","Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A.","On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies","Chemical Science","2013","4","1","437","","10.1039/c2sc21413j","","","0.71073","MoKα","","0.0363","0.0309","","","0.0786","0.0821","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514815","11.3194","0.0006","5.7682","0.0003","14.8959","0.0008","90","","94.364","0.004","90","","969.77","0.09","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H21 Fe N3 -","- C25 H21 Fe N3 -","- C50 H42 Fe2 N6 -","2","1","","Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A.","On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies","Chemical Science","2013","4","1","437","","10.1039/c2sc21413j","","","1.54178","CuKα","","0.0829","0.0666","","","0.1815","0.1999","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514816","21.166","0.004","9.936","0.0017","8.1878","0.0014","90","","92.968","0.003","90","","1719.6","0.5","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Fe -","- C24 H18 Fe -","- C96 H72 Fe4 -","4","1","","Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A.","On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies","Chemical Science","2013","4","1","437","","10.1039/c2sc21413j","","","0.71073","MoKα","","0.0718","0.0409","","","0.0813","0.0941","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514817","20.7703","0.0018","20.6316","0.0019","23.952","0.002","90","","102.233","0.002","90","","10031","1.5","133","2","133","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H12 O2 -","- C18 H12 O2 -","- C576 H384 O64 -","32","8","","Cheng, Ming; Yan, Jianwei; Hu, Feng; Chen, Hong; Hu, Youhong","Palladium-catalyzed cascade reactions of 3-iodochromones with aryl iodides and norbornadiene leading to annulated xanthones","Chemical Science","2013","4","1","526","","10.1039/c2sc21335d","","","0.71073","MoKα","","0.1423","0.0615","","","0.1264","0.1627","","","","","","0.954","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514818","7.3309","0.0002","16.9368","0.0005","12.1796","0.0004","90","","95.441","0.001","90","","1505.43","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni(MedoenH)]ClO4","","","- C10 H17 Cl N4 Ni O6 -","- C10 H17 Cl N4 Ni O6 -","- C40 H68 Cl4 N16 Ni4 O24 -","4","1","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.0632","0.0386","","","0.0808","0.0907","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514819","11.5005","0.0004","20.8961","0.0007","14.2514","0.0004","90","","109.637","0.001","90","","3225.65","0.18","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(Medoen)Zn(Me3TACN)(MeCN)](ClO4)2","","","- C22 H40 Cl2 N8.5 Ni O10 Zn -","- C21.982 H40 Cl2 N8.491 Ni O10 Zn -","- C87.928 H160 Cl8 N33.964 Ni4 O40 Zn4 -","4","1","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.0955","0.0564","","","0.1403","0.1662","","","","","","1.02","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514820","11.5533","0.0005","22.0368","0.0008","12.9726","0.0005","90","","104.81","0.002","90","","3193.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(Medopn)Zn(Me3TACN)(MeCN)](ClO4)2","","","- C22 H42 Cl2 N8 Ni O10 Zn -","- C22 H42 Cl2 N8 Ni O10 Zn -","- C88 H168 Cl8 N32 Ni4 O40 Zn4 -","4","1","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.09","0.0686","","","0.1802","0.1924","","","","","","1.131","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514821","18.853","0.004","18.337","0.004","16.409","0.003","90","","90.05","0.03","90","","5673","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[(OAc)Ni(Medoen)Zn(Me3TACN)]ClO4","","","- C21 H40 Cl N7 Ni O8 Zn -","- C21 H37.096 Cl N7 Ni O8.1 Zn -","- C168 H296.768 Cl8 N56 Ni8 O64.8 Zn8 -","8","1","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.0711","0.0474","","","0.0998","0.1142","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514822","8.5274","0.0004","12.4106","0.0005","13.0776","0.0005","98.754","0.001","96.004","0.001","90.074","0.002","1360.17","0.1","100","2","100","2","","","","","","","","7","P 1","P 1","1","[(NO2)Ni(Medoen)Zn(Me3TACN)]ClO4","","","- C19 H37 Cl N8 Ni O8 Zn -","- C19 H37 Cl N8 Ni O8 Zn -","- C38 H74 Cl2 N16 Ni2 O16 Zn2 -","2","2","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.0687","0.0493","","","0.1084","0.1169","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514823","11.7327","0.0007","15.5512","0.0009","17.9328","0.001","67.784","0.003","71.146","0.003","77.96","0.003","2852.6","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[Ni(TMFdoen)Zn(Me3TACN)(MeCN)](ClO4)(BPh4)","","","- C110 H150 B2 Cl2 N18 Ni2 O16 Zn2 -","- C110 H150 B2 Cl2 N18 Ni2 O16 Zn2 -","- C110 H150 B2 Cl2 N18 Ni2 O16 Zn2 -","1","0.5","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.0645","0.0326","","","0.0782","0.083","","","","","","0.908","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514824","11.9784","0.0008","19.7901","0.0014","26.294","0.0018","104.912","0.004","91.396","0.004","98.3","0.004","5947.7","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Ni(TMFdoen)Zn(Me3TACN)(THF)]BPh4","","","- C61 H89 B N7 Ni O6.5 Zn -","- C61 H89 B N7 Ni O6.5 Zn -","- C244 H356 B4 N28 Ni4 O26 Zn4 -","4","2","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.1235","0.0552","","","0.1179","0.1432","","","","","","1.013","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514825","21.7065","0.0012","13.6234","0.0007","24.045","0.0012","90","","90.533","0.003","90","","7110.2","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[(PPh3)Ni(TMFdoen)Zn(Me3TACN)]BPh4","","","- C77 H100 B N7 Ni O6 P Zn -","- C77 H100 B N7 Ni O6 P Zn -","- C308 H400 B4 N28 Ni4 O24 P4 Zn4 -","4","1","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.1249","0.0568","","","0.1198","0.1422","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514826","17.2117","0.0013","12.9449","0.001","24.7109","0.0017","90","","101.43","0.003","90","","5396.5","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","complex13","","","- C55 H74 B N7 Ni O5 Zn -","- C55 H71 B N7 Ni O5 Zn -","- C220 H284 B4 N28 Ni4 O20 Zn4 -","4","1","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.1534","0.0719","","","0.1579","0.1929","","","","","","1.003","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514827","14.1445","0.0018","14.338","0.002","16.719","0.003","86.271","0.008","81.687","0.008","61.358","0.005","2944.5","0.8","100","2","100","2","","","","","","","Stephen Moore","4","P -1","-P 1","2","","","","- C57 H72 N14 O15 -","- C57 H72 N14 O15 -","- C114 H144 N28 O30 -","2","1","","Moore, Stephen J.; Haynes, Cally J. E.; González, Jorge; Sutton, Jennifer L.; Brooks, Simon J.; Light, Mark E.; Herniman, Julie; Langley, G. John; Soto-Cerrato, Vanessa; Pérez-Tomás, Ricardo; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A.","Chloride, carboxylate and carbonate transport by ortho-phenylenediamine-based bisureas","Chemical Science","2013","4","1","103","","10.1039/c2sc21112b","","","0.71075","MoKα","","0.078","0.0618","","","0.1432","0.1535","","","","","","1.078","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514828","23.898","0.003","15.593","0.002","23.95","0.003","90","","109.468","0.002","90","","8414.5","1.8","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","((CF3PY5Me2)Co(NCCH3))(CF3SO3)2","","","- C38 H33 Co F9 N8 O6 S2 -","- C38 H33 Co F9 N8 O6 S2 -","- C304 H264 Co8 F72 N64 O48 S16 -","8","1","","Sun, Yujie; Sun, Jianwei; Long, Jeffrey R.; Yang, Peidong; Chang, Christopher J.","Photocatalytic generation of hydrogen from water using a cobalt pentapyridine complex in combination with molecular and semiconductor nanowire photosensitizers","Chemical Science","2013","4","1","118","","10.1039/c2sc21163g","","","0.71073","MoKα","","0.065","0.0542","","","0.1519","0.1627","","","","","","1.051","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514830","7.151","0.0008","29.386","0.003","9.6851","0.001","90","","100.773","0.002","90","","1999.4","0.4","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Fe O4 Si -","- C20 H18 Fe O4 Si -","- C80 H72 Fe4 O16 Si4 -","4","2","","Williams, David R.; Shah, Akshay A.; Mazumder, Shivnath; Baik, Mu-Hyun","Studies of iron-mediated Pauson‒Khand reactions of 1,1-disubstituted-allenylsilanes: mechanistic implications for a reactive three-membered iron metallacycle","Chemical Science","2013","4","1","238","","10.1039/c2sc21404k","","","0.71073","MoKα","","0.0443","0.0358","","0.091","0.0852","0.091","","","","","","0.9951","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514831","12.129","0.003","8.192","0.002","26.318","0.006","90","","102.587","0.005","90","","2552.1","1.1","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 O2 Si2 -","- C25 H38 O2 Si2 -","- C100 H152 O8 Si8 -","4","1","","Williams, David R.; Shah, Akshay A.; Mazumder, Shivnath; Baik, Mu-Hyun","Studies of iron-mediated Pauson–Khand reactions of 1,1-disubstituted-allenylsilanes: mechanistic implications for a reactive three-membered iron metallacycle","Chemical Science","2013","4","1","238","","10.1039/c2sc21404k","","","0.71073","MoKα","","0.0934","0.0491","","0.1221","0.1064","0.1221","","","","","","0.9997","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514832","8.8101","0.0005","9.1759","0.0005","11.1624","0.0006","102.467","0.001","92.503","0.001","113.932","0.001","796.59","0.08","95","1","95","1","","","","","","","","5","P -1","-P 1","2","[Fe(N(H)(SiMe3)(Dipp))2]","","","- C30 H52 Fe N2 Si2 -","- C30 H52 Fe N2 Si2 -","- C30 H52 Fe N2 Si2 -","1","0.5","","Zadrozny, Joseph M.; Atanasov, Mihail; Bryan, Aimee M.; Lin, Chun-Yi; Rekken, Brian D.; Power, Philip P.; Neese, Frank; Long, Jeffrey R.","Slow magnetization dynamics in a series of two-coordinate iron(ii) complexes","Chemical Science","2013","4","1","125","","10.1039/c2sc20801f","","","0.71073","MoKα","","0.0376","0.0345","","","0.1035","0.1065","","","","","","1.002","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514833","10.8937","0.0018","20.234","0.003","11.2231","0.0019","90","","90.829","0.003","90","","2473.6","0.7","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H76 Fe0.93 N2 -","- C60 H76 Fe0.93 N2 -","- C120 H152 Fe1.86 N4 -","2","0.5","","Zadrozny, Joseph M.; Atanasov, Mihail; Bryan, Aimee M.; Lin, Chun-Yi; Rekken, Brian D.; Power, Philip P.; Neese, Frank; Long, Jeffrey R.","Slow magnetization dynamics in a series of two-coordinate iron(ii) complexes","Chemical Science","2013","4","1","125","","10.1039/c2sc20801f","","","0.71073","MoKα","","0.0449","0.0338","","","0.08","0.0857","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514834","13.9562","0.0009","23.5904","0.0015","23.5858","0.0015","90","","90","","90","","7765.2","0.9","123","2","123","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C18.87 H19.16 N2 O2 Zn -","- C18.867 H19.156 N2 O2 Zn -","- C301.872 H306.496 N32 O32 Zn16 -","16","1","","He, Chun-Ting; Tian, Jing-Yu; Liu, Si-Yang; Ouyang, Gangfeng; Zhang, Jie-Peng; Chen, Xiao-Ming","A porous coordination framework for highly sensitive and selective solid-phase microextraction of non-polar volatile organic compounds","Chemical Science","2013","4","1","351","","10.1039/c2sc21181e","","","0.71073","MoKα","","0.088","0.0734","","","0.192","0.2058","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514835","13.9249","0.0012","23.653","0.002","23.637","0.002","90","","90","","90","","7785.2","1.1","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C12 H10 N2 O2 Zn -","- C12 H10 N2 O2 Zn -","- C192 H160 N32 O32 Zn16 -","16","1","","He, Chun-Ting; Tian, Jing-Yu; Liu, Si-Yang; Ouyang, Gangfeng; Zhang, Jie-Peng; Chen, Xiao-Ming","A porous coordination framework for highly sensitive and selective solid-phase microextraction of non-polar volatile organic compounds","Chemical Science","2013","4","1","351","","10.1039/c2sc21181e","","","0.71073","MoKα","","0.0675","0.0538","","","0.1381","0.1505","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514836","11.83","0.0003","11.9725","0.0003","12.3591","0.0004","65.098","0.002","69.838","0.002","65.309","0.002","1411.99","0.07","90","2","90","2","","","","","","","","6","P -1","-P 1","2","beta-(Au2(dppe)2I2).2acetone (green emission)","","","- C58 H60 Au2 I2 O2 P4 -","- C58 H60 Au2 I2 O2 P4 -","- C58 H60 Au2 I2 O2 P4 -","1","0.5","","Lim, Sang Ho; Olmstead, Marilyn M.; Balch, Alan L.","Inorganic topochemistry. Vapor-induced solid state transformations of luminescent, three-coordinate gold(i) complexes","Chemical Science","2013","4","1","311","","10.1039/c2sc20820b","","","0.71073","MoKα","","0.0216","0.0185","","","0.04","0.0408","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514837","12.2859","0.0011","20.3988","0.0017","17.3454","0.0015","90","","99.232","0.002","90","","4290.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H62 N3 Ni -","- C51 H62 N3 Ni -","- C204 H248 N12 Ni4 -","4","1","","Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.","Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation","Chemical Science","2013","4","1","170","","10.1039/c2sc21345a","","","0.71073","MoKα","","0.085","0.0516","","","0.0984","0.1064","","","","","","0.9","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514838","21.2763","0.0015","10.7269","0.0007","24.4104","0.0017","90","","97.053","0.001","90","","5529","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H78 Cl4 N3 Ni -","- C59 H78 Cl4 N3 Ni -","- C236 H312 Cl16 N12 Ni4 -","4","1","","Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.","Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation","Chemical Science","2013","4","1","170","","10.1039/c2sc21345a","","","0.71073","MoKα","","0.0809","0.0631","","","0.1623","0.1733","","","","","","0.969","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514839","12.9077","0.0017","34.624","0.004","19.65","0.003","90","","107.756","0.002","90","","8363.6","1.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C87 H84 B F24 N3 Ni O -","- C87 H84 B F24 N3 Ni O -","- C348 H336 B4 F96 N12 Ni4 O4 -","4","1","","Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.","Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation","Chemical Science","2013","4","1","170","","10.1039/c2sc21345a","","","0.71073","MoKα","","0.1426","0.0889","","","0.2231","0.2497","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514840","14.7621","0.0015","16.7885","0.0017","21.465","0.002","102.291","0.002","106.901","0.002","105.812","0.002","4644.3","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C197 H204 B2 F48 N6 Ni2 O4 -","- C197 H204 B2 F48 N6 Ni2 O4 -","- C197 H204 B2 F48 N6 Ni2 O4 -","1","0.5","","Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.","Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation","Chemical Science","2013","4","1","170","","10.1039/c2sc21345a","","","0.71073","MoKα","","0.0807","0.0601","","","0.154","0.1626","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514841","12.7476","0.0012","20.1891","0.0019","33.921","0.003","90","","90.696","0.002","90","","8729.4","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C93 H96 B F24 N3 Ni O -","- C93 H96 B F24 N3 Ni O -","- C372 H384 B4 F96 N12 Ni4 O4 -","4","1","","Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.","Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation","Chemical Science","2013","4","1","170","","10.1039/c2sc21345a","","","0.71073","MoKα","","0.0884","0.0541","","","0.1104","0.1196","","","","","","0.885","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514842","9.4942","0.0004","29.0008","0.0013","11.5368","0.0005","90","","90.018","0.002","90","","3176.5","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 B F15 O2 P S -","- C30 H27 B F15 O2 P S -","- C120 H108 B4 F60 O8 P4 S4 -","4","1","","Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard","Reactions of phosphorus/boron frustrated Lewis pairs with SO2","Chemical Science","2013","4","1","213","","10.1039/c2sc21161k","","","0.71073","MoKα","","0.0435","0.0341","","","0.0703","0.0726","","","","","","0.957","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514843","13.2898","0.0003","13.3521","0.0006","22.579","0.0009","73.392","0.003","73.073","0.003","83.328","0.004","3670.7","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H28 B F10 O2 P S -","- C33 H28 B F10 O2 P S -","- C132 H112 B4 F40 O8 P4 S4 -","4","2","","Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard","Reactions of phosphorus/boron frustrated Lewis pairs with SO2","Chemical Science","2013","4","1","213","","10.1039/c2sc21161k","","","1.54178","CuKα","","0.0568","0.0496","","","0.1402","0.1456","","","","","","1.058","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514844","10.5993","0.0004","11.865","0.0004","14.4165","0.0009","92.7","0.003","95.322","0.002","111.03","0.004","1678.66","0.14","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H32 B F10 O2 P S -","- C36 H32 B F10 O2 P S -","- C72 H64 B2 F20 O4 P2 S2 -","2","1","","Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard","Reactions of phosphorus/boron frustrated Lewis pairs with SO2","Chemical Science","2013","4","1","213","","10.1039/c2sc21161k","","","1.54178","CuKα","","0.0534","0.0439","","","0.1092","0.116","","","","","","1.029","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514845","20.411","0.003","20.411","0.003","40.34","0.005","90","","90","","120","","14554","4","150","2","150","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C76 H162 Cu6 N12 O88.66 V30 -","- C76 Cu6 N12 O88.5 V30 -","- C228 Cu18 N36 O265.5 V90 -","3","0.5","","Forster, Johannes; Rösner, Benedikt; Fink, Rainer H.; Nye, Leanne C.; Ivanovic-Burmazovic, Ivana; Kastner, Katharina; Tucher, Johannes; Streb, Carsten","Oxidation-driven self-assembly gives access to high-nuclearity molecular copper vanadium oxide clusters","Chemical Science","2013","4","1","418","","10.1039/c2sc20942j","","","0.71073","MoKα","","0.0618","0.0479","","","0.1169","0.1222","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514846","9.4145","0.0019","11.119","0.002","13.183","0.002","67.27","0.03","77.71","0.02","89.25","0.03","1240","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H30 N2 O12 S5 V -","- C10 H30 N2 O12 S5 V -","- C20 H60 N4 O24 S10 V2 -","2","1","","Forster, Johannes; Rösner, Benedikt; Fink, Rainer H.; Nye, Leanne C.; Ivanovic-Burmazovic, Ivana; Kastner, Katharina; Tucher, Johannes; Streb, Carsten","Oxidation-driven self-assembly gives access to high-nuclearity molecular copper vanadium oxide clusters","Chemical Science","2013","4","1","418","","10.1039/c2sc20942j","","x-ray","0.71073","MoKα","","0.0318","0.0276","","","0.0701","0.0721","","","","","","1.144","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514847","26.759","0.005","8.5937","0.0014","24.464","0.004","90","","92.096","0.002","90","","5621.9","1.7","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H33 N3 O7 S -","- C31 H33 N3 O7 S -","- C248 H264 N24 O56 S8 -","8","1","","Moore, Jared T.; Soldi, Cristian; Fettinger, James C.; Shaw, Jared T.","Catalytic Alkene Cyclization Reactions for the Stereoselective Synthesis of Complex ""Terpenoid-like"" Heterocycles.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","1","292","296","10.1039/C2SC21405A","","","0.71073","MoKα","","0.0328","0.03","","","0.0815","0.0832","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514848","7.9323","0.0006","12.8416","0.001","28.201","0.002","96.6629","0.0013","90.955","0.0013","94.4154","0.0013","2843.8","0.4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N3 O8 S -","- C31 H27 N3 O8 S -","- C124 H108 N12 O32 S4 -","4","2","","Moore, Jared T.; Soldi, Cristian; Fettinger, James C.; Shaw, Jared T.","Catalytic Alkene Cyclization Reactions for the Stereoselective Synthesis of Complex ""Terpenoid-like"" Heterocycles.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","1","292","296","10.1039/C2SC21405A","","","0.71073","MoKα","","0.0519","0.0393","","","0.0919","0.0969","","","","","","1.022","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514849","8.4525","0.0004","15.486","0.001","46.184","0.003","90","","90","","90","","6045.3","0.6","100","2","100","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C24.5 H33 Cl N4 O8 Pd2 S2 -","- C24.5 H33 Cl N4 O8 Pd2 S2 -","- C196 H264 Cl8 N32 O64 Pd16 S16 -","8","2","","Rodríguez, Nuria; Romero-Revilla, Jose A.; Fernández-Ibáñez, M. Ángeles; Carretero, Juan C.","Palladium-catalyzed N-(2-pyridyl)sulfonyl-directed C(sp3)‒H γ-arylation of amino acid derivatives","Chemical Science","2013","4","1","175","","10.1039/c2sc21162a","","x-ray","0.7107","MoKα","","0.1042","0.0713","","","0.1441","0.1588","","","","","","1.065","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1514850","9.8306","0.0005","17.0929","0.0008","24.3215","0.0012","90","","90","","90","","4086.8","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O6 S -","- C19 H24 N2 O6 S -","- C152 H192 N16 O48 S8 -","8","2","","Rodríguez, Nuria; Romero-Revilla, Jose A.; Fernández-Ibáñez, M. Ángeles; Carretero, Juan C.","Palladium-catalyzed N-(2-pyridyl)sulfonyl-directed C(sp3)–H γ-arylation of amino acid derivatives","Chemical Science","2013","4","1","175","","10.1039/c2sc21162a","","","1.54178","CuKα","","0.0753","0.0546","","","0.1401","0.1548","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514851","13.258","0.0009","20.3837","0.0018","26.4826","0.0017","85.599","0.006","81.344","0.005","81.232","0.006","6982","0.9","100","","100","","","","","","","","synthesised","5","P -1","-P 1","2","","","","- C106 H115 Cl N8 O11 -","- C106 H115 Cl N8 O11 -","- C212 H230 Cl2 N16 O22 -","2","1","","Allain, Clémence; Beer, Paul D.; Faulkner, Stephen; Jones, Michael W.; Kenwright, Alan M.; Kilah, Nathan L.; Knighton, Richard C.; Sørensen, Thomas Just; Tropiano, Manuel","Lanthanide appended rotaxanes respond to changing chloride concentration","Chemical Science","2013","4","1","489","","10.1039/c2sc21614k","","","0.6889","synchrotron","","0.1601","0.1334","","0.3902","0.3575","0.3902","","","","","","1.16","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514852","18.0616","0.0002","14.969","0.0002","18.2262","0.0003","90","","108.69","0.0008","90","","4667.84","0.11","150","","150","","","","105","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C70 H126 Lu4 N16 Na4 O43 -","- C70 H126 Lu4 N16 Na4 O43 -","- C140 H252 Lu8 N32 Na8 O86 -","2","0.5","","Allain, Clémence; Beer, Paul D.; Faulkner, Stephen; Jones, Michael W.; Kenwright, Alan M.; Kilah, Nathan L.; Knighton, Richard C.; Sørensen, Thomas Just; Tropiano, Manuel","Lanthanide appended rotaxanes respond to changing chloride concentration","Chemical Science","2013","4","1","489","","10.1039/c2sc21614k","","","0.71073","MoKα","","0.0723","0.0641","","0.1746","0.168","0.1745","","","","","","0.9954","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514853","6.06","0.0006","12.255","0.0007","19.535","0.0009","79.509","0.004","81.926","0.006","76.549","0.005","1380.07","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","TTFesterdimer","","","- C26 H16 O5 S8 -","- C26 H16 O5 S8 -","- C52 H32 O10 S16 -","2","1","","Simao, Claudia; Mas-Torrent, Marta; André, Vânia; Duarte, M. Teresa; Veciana, Jaume; Rovira, Concepció","Intramolecular electron transfer in the photodimerisation product of a tetrathiafulvalene derivative in solution and on a surface","Chemical Science","2013","4","1","307","","10.1039/c2sc21134c","","","0.71069","MoKα","","0.3373","0.1673","","","0.4192","0.4702","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514854","11.751","0.0009","7.5332","0.0006","19.9382","0.0015","90","","95.651","0.001","90","","1756.4","0.2","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O -","- C25 H20 O -","- C100 H80 O4 -","4","1","","Truong, Thanh; Daugulis, Olafs","Divergent Reaction Pathways for Phenol Arylation by Arynes: Synthesis of Helicenes and 2-Arylphenols.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","1","531","535","10.1039/c2sc21288a","","","0.71073","MoKα","","0.0525","0.0299","","","0.0772","0.0916","","","","","","0.973","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514880","6.8784","0.0005","8.2785","0.0006","8.5427","0.0006","78.119","0.003","87.93","0.003","88.399","0.003","475.61","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C20 H20 O8 -","2","1","","Unold, Jörg; Wang, Dongren; Frey, Wolfgang; Buchmeiser, Michael R.","Stereo- and regioselective cyclopolymerization of chiral 1,7-octadiynes","Polymer Chemistry","2013","4","15","4219","","10.1039/c3py00567d","","","1.54178","CuKα","","0.0584","0.0304","","","0.0758","0.0765","","","","","","1.073","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514881","14.8047","0.0019","24.843","0.003","5.0851","0.0007","90","","101.707","0.006","90","","1831.4","0.4","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 H14 O2 -","- C10 H14 O2 -","- C80 H112 O16 -","8","2","","Unold, Jörg; Wang, Dongren; Frey, Wolfgang; Buchmeiser, Michael R.","Stereo- and regioselective cyclopolymerization of chiral 1,7-octadiynes","Polymer Chemistry","2013","4","15","4219","","10.1039/c3py00567d","","","0.71073","MoKα","","0.0707","0.0416","","","0.112","0.1171","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514882","29.535","0.004","11.948","0.0014","15.335","0.0017","90","","96.899","0.007","90","","5372.3","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5s-Mes-ZnCl2","","- C27 H38 Cl2 N2 O1.5 Zn -","- C27 H38 Cl2 N2 O1.5 Zn -","- C216 H304 Cl16 N16 O12 Zn8 -","8","1","","Naumann, Stefan; Schmidt, Friedrich Georg; Frey, Wolfgang; Buchmeiser, Michael R.","Protected N-heterocyclic carbenes as latent pre-catalysts for the polymerization of ε-caprolactone","Polymer Chemistry","2013","4","15","4172","","10.1039/c3py00548h","","","0.71073","MoKα","","0.1076","0.0481","","","0.0639","0.071","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514883","21.045","0.003","24.936","0.003","30.425","0.004","90","","90","","90","","15966","4","100","2","100","2","","","","","","","synthesis as described","5","P c a b","-P 2bc 2ac","61","","","","- C71 H116 N4 O6 Y2 -","- C71 H116 N4 O6 Y2 -","- C568 H928 N32 O48 Y16 -","8","1","","Fang, Jian; Tschan, Mathieu J.-L.; Roisnel, Thierry; Trivelli, Xavier; Gauvin, Régis M.; Thomas, Christophe M.; Maron, Laurent","Yttrium catalysts for syndioselective β-butyrolactone polymerization: on the origin of ligand-induced stereoselectivity","Polymer Chemistry","2013","4","2","360","","10.1039/c2py20590d","","x-ray","0.71073","MoKα","","0.1566","0.0712","","","0.1631","0.1876","","","","","","0.894","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514884","17.848","0.004","16.102","0.003","22.302","0.005","90","","110.45","0.03","90","","6005","3","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C23 H26 N4 O2 -","- C23 H26 N4 O2 -","- C276 H312 N48 O24 -","12","6","","Alsarraf, Jérome; Robert, Frédéric; Cramail, Henri; Landais, Yannick","Latent catalysts based on guanidine templates for polyurethane synthesis","Polymer Chemistry","2013","4","4","904","","10.1039/c2py21006a","","","1.54178","CuKα","","0.1003","0.0601","","","0.161","0.2263","","","","","","0.793","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514885","10.154","0.002","10.801","0.002","11.233","0.002","69.9","0.03","85.34","0.03","70.13","0.03","1087.2","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N4 O2 -","- C25 H30 N4 O2 -","- C50 H60 N8 O4 -","2","1","","Alsarraf, Jérome; Robert, Frédéric; Cramail, Henri; Landais, Yannick","Latent catalysts based on guanidine templates for polyurethane synthesis","Polymer Chemistry","2013","4","4","904","","10.1039/c2py21006a","","","1.54178","CuKα","","0.0619","0.0545","","","0.1288","0.1572","","","","","","1.231","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514886","12.5135","0.0007","8.2914","0.0004","41.841","0.002","90","","90","","90","","4341.2","0.4","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H29 N5 O2 -","- C24 H29 N5 O2 -","- C192 H232 N40 O16 -","8","1","","Alsarraf, Jérome; Robert, Frédéric; Cramail, Henri; Landais, Yannick","Latent catalysts based on guanidine templates for polyurethane synthesis","Polymer Chemistry","2013","4","4","904","","10.1039/c2py21006a","","","1.54178","CuKα","","0.0751","0.0573","","","0.1516","0.1697","","","","","","1.266","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514887","11.2993","0.0015","7.8614","0.0011","14.373","0.002","90","","94.716","0.01","90","","1272.4","0.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H41 N3 O3 -","- C27 H41 N3 O3 -","- C54 H82 N6 O6 -","2","1","","Li, Weina; Tian, Tian; Zhu, Wei; Cui, Jiecheng; Ju, Yong; Li, Guangtao","Metal-free click approach for facile production of main chain poly(bile acid)s","Polymer Chemistry","2013","4","10","3057","","10.1039/c3py00180f","","","0.71073","MoKα","","0.0529","0.0398","","","0.0769","0.082","","","","","","1.013","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514888","9.908","0.0002","10.7787","0.0003","12.7321","0.0003","97.6691","0.0012","94.7545","0.0014","115.897","0.0011","1196.95","0.05","120","","120","","","","","","","","","2","P -1","-P 1","2","","","","- C36 H26 -","- C36 H26 -","- C72 H52 -","2","1","","Schlütter, Florian; Nishiuchi, Tomohiko; Enkelmann, Volker; Müllen, Klaus","π-Congested poly(paraphenylene) from 2,2′,6,6′-tetraphenyl-1,1′-biphenyl units: synthesis and structural characterization","Polymer Chemistry","2013","4","10","2963","","10.1039/c3py00166k","","","0.71073","MoKα","","0.0645","0.0482","","0.0806","0.059","0.059","","","","","","1.0869","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514889","7.5317","0.0007","21.0519","0.0009","17.7743","0.0008","90","","94.802","0.005","90","","2808.3","0.3","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H25 Cl3 -","- C36.5 H25 Cl3 -","- C146 H100 Cl12 -","4","1","","Schlütter, Florian; Nishiuchi, Tomohiko; Enkelmann, Volker; Müllen, Klaus","π-Congested poly(paraphenylene) from 2,2′,6,6′-tetraphenyl-1,1′-biphenyl units: synthesis and structural characterization","Polymer Chemistry","2013","4","10","2963","","10.1039/c3py00166k","","","0.71073","MoKα","","0.0856","0.0464","","0.3077","0.0571","0.0571","","","","","","1.1215","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514890","7.3789","0.0002","22.1571","0.0008","16.3043","0.0005","90","","102.057","0.0018","90","","2606.87","0.14","120","","120","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 -","- C38 H30 -","- C152 H120 -","4","0.5","","Schlütter, Florian; Nishiuchi, Tomohiko; Enkelmann, Volker; Müllen, Klaus","π-Congested poly(paraphenylene) from 2,2′,6,6′-tetraphenyl-1,1′-biphenyl units: synthesis and structural characterization","Polymer Chemistry","2013","4","10","2963","","10.1039/c3py00166k","","","0.71073","MoKα","","0.0733","0.0423","","0.0661","0.0502","0.0502","","","","","","1.1061","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514891","13.8723","0.0004","17.3314","0.0003","37.589","0.0005","90","","90","","90","","9037.4","0.3","250","","250","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C52 H56 Cl2 -","- C52 H56 Cl2 -","- C416 H448 Cl16 -","8","0.25","","Schlütter, Florian; Nishiuchi, Tomohiko; Enkelmann, Volker; Müllen, Klaus","π-Congested poly(paraphenylene) from 2,2′,6,6′-tetraphenyl-1,1′-biphenyl units: synthesis and structural characterization","Polymer Chemistry","2013","4","10","2963","","10.1039/c3py00166k","","","0.71073","MoKα","","0.1039","0.0601","","0.1617","0.0766","0.0766","","","","","","1.0121","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514892","6.1133","0.0009","6.1133","0.0009","52.627","0.011","90","","90","","90","","1966.8","0.6","200","2","200.15","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C23 H19 N7 -","- C23 H19 N7 -","- C92 H76 N28 -","4","0.5","","Lang, Christiane; Pahnke, Kai; Kiefer, Claude; Goldmann, Anja S.; Roesky, Peter W.; Barner-Kowollik, Christopher","Consecutive modular ligation as an access route to palladium containing polymers","Polymer Chemistry","2013","4","21","5456","","10.1039/c3py00648d","","","0.71073","MoKα","","0.0775","0.0375","","","0.0648","0.0742","","","","","","0.899","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514893","8.6458","0.0017","13.837","0.003","17.394","0.004","109.67","0.03","102.9","0.03","95.46","0.03","1876.8","0.9","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H37 Cl4 N7 O3 Pd2 S3 -","- C29 H37 Cl4 N7 O3 Pd2 S3 -","- C58 H74 Cl8 N14 O6 Pd4 S6 -","2","1","","Lang, Christiane; Pahnke, Kai; Kiefer, Claude; Goldmann, Anja S.; Roesky, Peter W.; Barner-Kowollik, Christopher","Consecutive modular ligation as an access route to palladium containing polymers","Polymer Chemistry","2013","4","21","5456","","10.1039/c3py00648d","","","0.71073","MoKα","","0.1137","0.0797","","","0.1915","0.2102","","","","","","0.952","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514894","18.951","0.004","14.595","0.003","20.257","0.004","90","","90","","90","","5603","2","93","","93","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C76 H68 N2 O2 -","- C76 H68 N2 O2 -","- C304 H272 N8 O8 -","4","1","","Brulé, Emilie; Guérineau, Vincent; Vermaut, Philippe; Prima, Frédéric; Balogh, Janos; Maron, Laurent; Slawin, Alexandra M. Z.; Nolan, Steven P.; Thomas, Christophe M.","Polymerization of cyclic esters using N-heterocyclic carbene carboxylate catalysts","Polymer Chemistry","2013","4","8","2414","","10.1039/c3py00108c","","","0.71075","MoKα","","","0.1013","","","","0.3161","","","","","","1.319","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514895","18.397","0.002","8.5233","0.001","11.0281","0.0007","90","","90.413","0.007","90","","1729.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 Br2 N2 O2 S2 -","- C38 H38 Br2 N2 O2 S2 -","- C76 H76 Br4 N4 O4 S4 -","2","0.5","","Zhang, Haichang; Welterlich, Irina; Neudörfl, Jörg-Martin; Tieke, Bernd; Yang, Chao; Chen, Xuegang; Yang, Wenjun","Synthesis and characterization of 1,3,4,6-tetraarylpyrrolo[3,2-b]-pyrrole-2,5-dione (isoDPP)-based donor–acceptor polymers with low band gap","Polymer Chemistry","2013","4","17","4682","","10.1039/c3py00570d","","","0.71073","MoKα","","0.1138","0.045","","","0.0871","0.1223","","","","","","0.973","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514896","10.9975","0.0011","12.3835","0.0011","13.3184","0.0012","65.237","0.004","75.393","0.004","69.574","0.004","1531.4","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H51 Al O2 -","- C32 H51 Al O2 -","- C64 H102 Al2 O4 -","2","1","","Descour, Camille; Sciarone, Timo J. J.; Cavallo, Dario; Macko, Tibor; Kelchtermans, Mauritz; Korobkov, Ilia; Duchateau, Robbert","Exploration of the effect of 2,6-(t-Bu)2-4-Me-C6H2OH (BHT) in chain shuttling polymerization","Polymer Chemistry","2013","4","17","4718","","10.1039/c3py00506b","","","0.71073","MoKα","","0.0666","0.0553","","","0.1566","0.1718","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514897","17.7224","0.0011","9.6794","0.0006","19.248","0.0011","90","","90","","90","","3301.8","0.3","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H56 O2 Zn2 -","- C34 H56 O2 Zn2 -","- C136 H224 O8 Zn8 -","4","0.5","","Descour, Camille; Sciarone, Timo J. J.; Cavallo, Dario; Macko, Tibor; Kelchtermans, Mauritz; Korobkov, Ilia; Duchateau, Robbert","Exploration of the effect of 2,6-(t-Bu)2-4-Me-C6H2OH (BHT) in chain shuttling polymerization","Polymer Chemistry","2013","4","17","4718","","10.1039/c3py00506b","","","0.71073","MoKα","","0.0372","0.0289","","","0.075","0.0827","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514898","15.9739","0.0006","13.3946","0.0004","15.1964","0.0005","90","","108.737","0.001","90","","3079.16","0.18","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 Br2 N3 O4 S2 -","- C30 H35 Br2 N3 O4 S2 -","- C120 H140 Br8 N12 O16 S8 -","4","1","","Neo, Wei Teng; Loo, Lee May; Song, Jing; Wang, Xiaobai; Cho, Ching Mui; On Chan, Hardy Sze; Zong, Yun; Xu, Jianwei","Solution-processable blue-to-transmissive electrochromic benzotriazole-containing conjugated polymers","Polymer Chemistry","2013","4","17","4663","","10.1039/c3py00677h","","","0.71073","MoKα","","0.0694","0.0383","","","0.0915","0.1062","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514899","16.2658","0.0017","9.9841","0.0011","21.212","0.002","90","","108.293","0.005","90","","3270.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","compound 6-Dipp-Co2","","- C31 H44 Cl4 N2 O2 -","- C31 H44 Cl4 N2 O2 -","- C124 H176 Cl16 N8 O8 -","4","0.5","","Naumann, Stefan; Schmidt, Friedrich Georg; Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael R.","Polymerization of methyl methacrylate by latent pre-catalysts based on CO2-protected N-heterocyclic carbenes","Polymer Chemistry","2013","4","9","2731","","10.1039/c3py00073g","","","0.71073","MoKα","","0.0614","0.0447","","","0.1162","0.1221","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514900","8.957","0.0002","11.1473","0.0003","12.7782","0.0004","80.558","0.002","89.54","0.002","86.557","0.002","1256.3","0.06","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 O4 -","- C32 H24 O4 -","- C64 H48 O8 -","2","1","","Hu, Rongrong; Lam, Jacky W. Y.; Yu, Yong; Sung, Herman H. Y.; Williams, Ian D.; Yuen, Matthew M. F.; Tang, Ben Zhong","Facile synthesis of soluble nonlinear polymers with glycogen-like structures and functional properties from “simple” acrylic monomers","Polymer Chemistry","2013","4","1","95","","10.1039/c2py20485a","","","1.54178","CuKα","","0.0423","0.0375","","","0.102","0.1048","","","","","","1.046","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514901","9.5026","0.0011","12.2523","0.0014","12.4543","0.0008","98.109","0.007","110.976","0.008","105.891","0.01","1255.2","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 O4 -","- C32 H24 O4 -","- C64 H48 O8 -","2","1","","Hu, Rongrong; Lam, Jacky W. Y.; Yu, Yong; Sung, Herman H. Y.; Williams, Ian D.; Yuen, Matthew M. F.; Tang, Ben Zhong","Facile synthesis of soluble nonlinear polymers with glycogen-like structures and functional properties from “simple” acrylic monomers","Polymer Chemistry","2013","4","1","95","","10.1039/c2py20485a","","","1.54178","CuKα","","0.0637","0.0505","","","0.1425","0.1498","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514902","17.33","0.008","9.333","0.004","13.964","0.006","90","","99.064","0.006","90","","2230.3","1.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H22 O4 -","- C31 H22 O4 -","- C124 H88 O16 -","4","0.5","","Hu, Rongrong; Lam, Jacky W. Y.; Yu, Yong; Sung, Herman H. Y.; Williams, Ian D.; Yuen, Matthew M. F.; Tang, Ben Zhong","Facile synthesis of soluble nonlinear polymers with glycogen-like structures and functional properties from “simple” acrylic monomers","Polymer Chemistry","2013","4","1","95","","10.1039/c2py20485a","","","0.71073","MoKα","","0.0635","0.0527","","","0.1109","0.1159","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514926","6.661","","30.083","","17.635","","90","","99.52","","90","","3485.08","","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N O2 -","- C24 H15 N O2 -","- C192 H120 N8 O16 -","8","2","","Guha, Subarna; Lohar, Sisir; Banerjee, Arnab; Sahana, Animesh; Mukhopadhyay, Subhra Kanti; Matalobos, Jesús Sanmartín; Das, Debasis","Anthracene appended coumarin derivative as a Cr(iii) selective turn-on fluorescent probe for living cell imaging: a green approach towards speciation studies","Analytical Methods","2012","4","10","3163","","10.1039/c2ay25693b","","","0.71073","MoKα","","0.1417","0.0628","","","0.1258","0.1599","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514927","15.7822","0.0018","7.2392","0.0009","12.5086","0.0017","90","","106.033","0.004","90","","1373.5","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O5 -","- C16 H11 N O5 -","- C64 H44 N4 O20 -","4","1","","Ivanova, Bojidarka B.","Matrixes in UV-MALDI mass spectrometry – crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids","Analytical Methods","2012","4","8","2247","","10.1039/c2ay25090j","","","0.71073","MoKα","","0.0576","0.0392","","","0.1079","0.1301","","","","","","0.955","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514930","21.047","0.006","8.368","0.002","9.364","0.002","90","","101.972","0.008","90","","1613.3","0.7","199","2","199","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H7 N2 O3 -","- C8 H7 N2 O3 -","- C64 H56 N16 O24 -","8","1","","Ivanova, Bojidarka B.","Matrixes in UV-MALDI mass spectrometry ‒ crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids","Analytical Methods","2012","4","8","2247","","10.1039/c2ay25090j","","","0.71073","MoKα","","0.0477","0.036","","","0.1061","0.122","","","","","","0.687","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514932","10.7541","0.0018","20.966","0.004","10.5543","0.0016","90","","90","","90","","2379.7","0.7","100","2","100","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C15 H11 N S -","- C15 H11 N S -","- C120 H88 N8 S8 -","8","","","Das, Sudipta; Sahana, Animesh; Banerjee, Arnab; Lohar, Sisir; Guha, Subarna; Matalobos, Jesús Sanmartín; Das, Debasis","Thiophene anchored naphthalene derivative: Cr3+ selective turn-on fluorescent probe for living cell imaging","Analytical Methods","2012","4","8","2254","","10.1039/c2ay25384d","","","0.71073","MoKα","","0.0339","0.0299","","","0.0695","0.0717","","","","","","1.057","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514933","14.1656","0.0007","14.6048","0.0005","14.5328","0.0006","90","","104.242","0.002","90","","2914.2","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 B O9 -","- C30 H35 B O9 -","- C120 H140 B4 O36 -","4","1","","Lawrence, Katherine; Flower, Stephen E.; Kociok-Kohn, Gabriele; Frost, Christopher G.; James, Tony D.","A simple and effective colorimetric technique for the detection of boronic acids and their derivatives","Analytical Methods","2012","4","8","2215","","10.1039/c2ay25346a","","","0.71073","MoKα","","0.1057","0.0709","","","0.1762","0.2083","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515289","9.333","0.003","10.316","0.003","15.611","0.004","93.677","0.005","90.998","0.005","95.767","0.005","1491.9","0.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H30 Cl2 N3 Ni O2 P S -","- C29 H30 Cl2 N3 Ni O2 P S -","- C58 H60 Cl4 N6 Ni2 O4 P2 S2 -","2","1","","Ramachandran, Eswaran; Kalaivani, Palaniappan; Prabhakaran, Rathinasabapathi; Rath, Nigam P.; Brinda, Selvaraj; Poornima, Paramasivan; Padma, Viswanatha Vijaya; Natarajan, Karuppannan","Synthesis, X-ray crystal structure, DNA binding, antioxidant and cytotoxicity studies of Ni(ii) and Pd(ii) thiosemicarbazone complexes.","Metallomics : integrated biometal science","2012","4","2","218","227","10.1039/c1mt00143d","","","0.71073","MoKα","","0.0927","0.0507","","","0.1209","0.1321","","","","","","0.892","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515290","7.7387","0.0005","24.7405","0.0018","27.364","0.002","90","","90","","90","","5239.1","0.6","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C27 H23 Cl N3 O P Pd S -","- C27 H23 Cl N3 O P Pd S -","- C216 H184 Cl8 N24 O8 P8 Pd8 S8 -","8","1","","Ramachandran, Eswaran; Kalaivani, Palaniappan; Prabhakaran, Rathinasabapathi; Rath, Nigam P.; Brinda, Selvaraj; Poornima, Paramasivan; Padma, Viswanatha Vijaya; Natarajan, Karuppannan","Synthesis, X-ray crystal structure, DNA binding, antioxidant and cytotoxicity studies of Ni(ii) and Pd(ii) thiosemicarbazone complexes.","Metallomics : integrated biometal science","2012","4","2","218","227","10.1039/c1mt00143d","","","0.71073","MoKα","","0.0595","0.0329","","","0.062","0.0714","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515291","8.4072","0.0003","16.1292","0.0006","20.8979","0.0007","80.612","0.002","88.34","0.002","87.39","0.002","2792.26","0.17","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C27.5 H25 As Cl N3 O1.5 Pd S -","- C27.5 H25 As Cl N3 O1.5 Pd S -","- C110 H100 As4 Cl4 N12 O6 Pd4 S4 -","4","2","","Ramachandran, Eswaran; Kalaivani, Palaniappan; Prabhakaran, Rathinasabapathi; Rath, Nigam P.; Brinda, Selvaraj; Poornima, Paramasivan; Padma, Viswanatha Vijaya; Natarajan, Karuppannan","Synthesis, X-ray crystal structure, DNA binding, antioxidant and cytotoxicity studies of Ni(ii) and Pd(ii) thiosemicarbazone complexes.","Metallomics : integrated biometal science","2012","4","2","218","227","10.1039/c1mt00143d","","","0.71073","MoKα","","0.1425","0.0597","","","0.1168","0.1502","","","","","","0.982","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515292","11.5473","0.0002","18.9633","0.0003","16.926","0.0003","90","","98.798","0.002","90","","3662.76","0.11","130","2","130.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H35 Ag O3 P2 -","- C43 H35 Ag O3 P2 -","- C172 H140 Ag4 O12 P8 -","4","2","","Banti, C. N.; Giannoulis, A. D.; Kourkoumelis, N.; Owczarzak, A. M.; Poyraz, M.; Kubicki, M.; Charalabopoulos, K.; Hadjikakou, S. K.","Mixed ligand-silver(I) complexes with anti-inflammatory agents which can bind to lipoxygenase and calf-thymus DNA, modulating their function and inducing apoptosis.","Metallomics : integrated biometal science","2012","4","6","545","560","10.1039/c2mt20039b","","","1.5418","CuKα","","0.0911","0.0862","","","0.2447","0.2486","","","","","","1.08","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515293","12.9853","0.0006","14.4886","0.0006","20.9329","0.0009","90","","105.248","0.001","90","","3799.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl3 Fe N2 O S -","- C17 H15 Cl3 Fe N2 O S -","- C136 H120 Cl24 Fe8 N16 O8 S8 -","8","2","","Sathyadevi, Palanisamy; Krishnamoorthy, Paramasivam; Butorac, Rachel R.; Cowley, Alan H.; Dharmaraj, Nallasamy","Synthesis of novel heterobimetallic copper(I) hydrazone Schiff base complexes: a comparative study on the effect of heterocyclic hydrazides towards interaction with DNA/protein, free radical scavenging and cytotoxicity.","Metallomics : integrated biometal science","2012","4","5","498","511","10.1039/c2mt00004k","","","0.71075","MoKα","","0.0315","0.0284","","","0.0729","0.0748","","","","","","0.977","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515294","13.766","0.002","17.839","0.003","20.779","0.003","90","","119.372","0.003","90","","4446.8","1.2","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H43 Cu Fe N2 O P2 S -","- C52 H43 Cu Fe N2 O P2 S -","- C208 H172 Cu4 Fe4 N8 O4 P8 S4 -","4","1","","Sathyadevi, Palanisamy; Krishnamoorthy, Paramasivam; Butorac, Rachel R.; Cowley, Alan H.; Dharmaraj, Nallasamy","Synthesis of novel heterobimetallic copper(I) hydrazone Schiff base complexes: a comparative study on the effect of heterocyclic hydrazides towards interaction with DNA/protein, free radical scavenging and cytotoxicity.","Metallomics : integrated biometal science","2012","4","5","498","511","10.1039/c2mt00004k","","","0.71073","MoKα","","0.067","0.0453","","","0.1017","0.1142","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515295","12.4564","0.0003","8.7526","0.0002","14.9349","0.0004","90","","96.602","0.002","90","","1617.49","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 Cl2 Cu N5 O -","- C13 H17 Cl2 Cu N5 O -","- C52 H68 Cl8 Cu4 N20 O4 -","4","1","","Jones, Michael R.; Service, Erin L.; Thompson, John R.; Wang, Michael C. P.; Kimsey, Isaac J.; DeToma, Alaina S.; Ramamoorthy, Ayyalusamy; Lim, Mi Hee; Storr, Tim","Dual-function triazole-pyridine derivatives as inhibitors of metal-induced amyloid-β aggregation.","Metallomics : integrated biometal science","2012","4","9","910","920","10.1039/c2mt20113e","","","0.71073","MoKα","","0.0685","0.0506","","0.0925","0.0501","0.0443","","","","","","1.137","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515296","7.1753","0.0003","9.9395","0.0004","11.0467","0.0005","75.271","0.003","74.091","0.003","80.029","0.003","728.22","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N6 O9 Zn -","- C9 H10 N6 O9 Zn -","- C18 H20 N12 O18 Zn2 -","2","1","","Jones, Michael R.; Service, Erin L.; Thompson, John R.; Wang, Michael C. P.; Kimsey, Isaac J.; DeToma, Alaina S.; Ramamoorthy, Ayyalusamy; Lim, Mi Hee; Storr, Tim","Dual-function triazole-pyridine derivatives as inhibitors of metal-induced amyloid-β aggregation.","Metallomics : integrated biometal science","2012","4","9","910","920","10.1039/c2mt20113e","","","0.71073","MoKα","","0.0444","0.0314","","0.0456","0.0316","0.0315","","","","","","1.1068","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515297","10.8935","0.0002","14.4989","0.0002","15.1823","0.0003","90","","90","","90","","2397.95","0.07","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 Cl4 N2 O4 Pt -","- C18 H32 Cl4 N2 O4 Pt -","- C72 H128 Cl16 N8 O16 Pt4 -","4","1","","Kaluđerović, Goran N; Mijatović, Sanja A; Zmejkovski, Bojana B.; Bulatović, Mirna Z; Gómez-Ruiz, Santiago; Mojić, Marija K; Steinborn, Dirk; Miljković, Djordje M; Schmidt, Harry; Stošić-Grujičić, Stanislava D; Sabo, Tibor J.; Maksimović-Ivanić, Danijela D","Platinum(II/IV) complexes containing ethylenediamine-N,N'-di-2/3-propionate ester ligands induced caspase-dependent apoptosis in cisplatin-resistant colon cancer cells.","Metallomics : integrated biometal science","2012","4","9","979","987","10.1039/c2mt20058a","","","0.71073","MoKα","","0.0521","0.0397","","","0.0801","0.0824","","","","","","0.965","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515298","9.659","0.0002","11.2079","0.0003","27.4126","0.0007","90","","90","","90","","2967.61","0.13","293","2","293","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 N4 O P Pd S -","- C31 H33 N4 O P Pd S -","- C124 H132 N16 O4 P4 Pd4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Poornima, P.; Vaishnavi, E.; Ramachandran, E.; Padma, V. Vijaya; Renganathan, R.; Natarajan, K.","DNA, protein binding, cytotoxicity, cellular uptake and antibacterial activities of new palladium(II) complexes of thiosemicarbazone ligands: effects of substitution on biological activity.","Metallomics : integrated biometal science","2012","4","1","101","113","10.1039/c1mt00144b","","x-ray","0.71073","MoKα","","0.1336","0.0484","","","0.0649","0.0842","","","","","","0.859","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515299","9.6836","0.0002","11.1912","0.0002","27.4533","0.0005","90","","90","","90","","2975.14","0.1","293","2","293","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 N4 O P Pd S -","- C30 H31 N4 O2 P Pd S -","- C120 H124 N16 O8 P4 Pd4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Poornima, P.; Vaishnavi, E.; Ramachandran, E.; Padma, V. Vijaya; Renganathan, R.; Natarajan, K.","DNA, protein binding, cytotoxicity, cellular uptake and antibacterial activities of new palladium(II) complexes of thiosemicarbazone ligands: effects of substitution on biological activity.","Metallomics : integrated biometal science","2012","4","1","101","113","10.1039/c1mt00144b","","x-ray","0.71073","MoKα","","0.093","0.0513","","","0.065","0.0716","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515300","9.8285","0.0002","11.3287","0.0002","27.6805","0.0007","90","","90","","90","","3082.06","0.11","293","2","293","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 N4 O P Pd S -","- C32 H35 N4 O P Pd S -","- C128 H140 N16 O4 P4 Pd4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Poornima, P.; Vaishnavi, E.; Ramachandran, E.; Padma, V. Vijaya; Renganathan, R.; Natarajan, K.","DNA, protein binding, cytotoxicity, cellular uptake and antibacterial activities of new palladium(II) complexes of thiosemicarbazone ligands: effects of substitution on biological activity.","Metallomics : integrated biometal science","2012","4","1","101","113","10.1039/c1mt00144b","","x-ray","0.71073","MoKα","","0.1061","0.043","","","0.0647","0.0756","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515301","22.9706","0.0005","5.146","0.0001","8.0376","0.0002","90","","90","","90","","950.1","0.04","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-octamethylene bis(3,3,3-trifluorolactate)","","","- C14 H20 F6 O6 -","- C14 H20 F6 O6 -","- C28 H40 F12 O12 -","2","0.5","","Kataoka, Keisuke; Katagiri, Toshimasa","Hydrogen gas storage in fluorinated ultramicroporous tunnel crystal.","Nanoscale","2012","4","16","5098","5101","10.1039/c2nr30940h","","","0.71069","MoKα","","0.0511","0.0441","","","0.0969","0.0991","","","","","","1.217","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515302","25.254","0.003","14.979","0.0018","19.724","0.002","90","","94.323","0.001","90","","7440","1.5","90","2","93","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C126.95 H54.95 Cl0.63 N4 Ni Sm -","- C127.074 H55.164 Cl1.135 N4 Ni Sm0.9386 -","- C508.295 H220.656 Cl4.54 N16 Ni4 Sm3.7544 -","4","0.5","","Xu, Wei; Niu, Ben; Shi, Zujin; Lian, Yongfu; Feng, Lai","Sm@C2v(3)-C80: site-hopping motion of endohedral Sm atom and metal-induced effect on redox profile.","Nanoscale","2012","4","21","6876","6879","10.1039/c2nr32193a","","","0.71073","MoKα","","0.0899","0.0706","","","0.1773","0.1933","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515303","17.1975","0.0009","22.7109","0.0011","23.24","0.0012","94.052","0.003","104.128","0.003","106.292","0.003","8353.9","0.8","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H89.45 N12 O28.47 S4 Sn Zn -","- C88.004 H63.8447 N12.0007 O28.48 S4 Sn Zn -","- C264.012 H191.534 N36.002 O85.44 S12 Sn3 Zn3 -","3","1.5","","Tian, Yongming; Beavers, Christine M.; Busani, Tito; Martin, Kathleen E.; Jacobsen, John L.; Mercado, Brandon Q.; Swartzentruber, Brian S.; van Swol, Frank; Medforth, Craig J.; Shelnutt, John A.","Binary ionic porphyrin nanosheets: electronic and light-harvesting properties regulated by crystal structure.","Nanoscale","2012","4","5","1695","1700","10.1039/c2nr11826b","","","0.7749","synchrotron","","0.1108","0.0821","","","0.255","0.2806","","","","","","0.977","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515304","10.0164","0.0008","12.4022","0.0009","14.8694","0.001","89.2116","0.0019","73.399","0.002","73.308","0.002","1690.9","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H88 Ag4 I8 N4 -","- C52 H88 Ag4 I8 N4 -","- C52 H88 Ag4 I8 N4 -","1","0.5","","Xu, Biao; Wang, Ruji; Wang, Xun","Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI.","Nanoscale","2012","4","8","2713","2719","10.1039/c2nr30139c","","","0.71073","MoKα","","0.1152","0.0547","","","0.1044","0.1624","","","","","","1.223","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515305","7.1475","0.0006","9.7391","0.0007","18.189","0.002","102.28","0.02","98.07","0.03","90.85","0.02","1223.6","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H34 Ag2 I3 N -","- C15 H34 Ag2 I3 N -","- C30 H68 Ag4 I6 N2 -","2","1","","Xu, Biao; Wang, Ruji; Wang, Xun","Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI.","Nanoscale","2012","4","8","2713","2719","10.1039/c2nr30139c","","","0.71073","MoKα","","0.094","0.045","","","0.0892","0.1371","","","","","","1.306","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515306","9.189","0.003","10.093","0.003","23.519","0.009","83.515","0.013","88.522","0.013","68.316","0.012","2013.6","1.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H56 Ag4 I5 N -","- C26 H56 Ag4 I5 N -","- C52 H112 Ag8 I10 N2 -","2","1","","Xu, Biao; Wang, Ruji; Wang, Xun","Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI.","Nanoscale","2012","4","8","2713","2719","10.1039/c2nr30139c","","","0.71073","MoKα","","0.1034","0.0766","","","0.1608","0.1693","","","","","","1.277","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515307","12.263","0.003","24.775","0.005","24.888","0.005","90","","91.51","0.03","90","","7559","3","295","2","295","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C209 H338 Ag16 Cl18 I32 N16 -","- C209 H338 Ag16 Cl18 I32 N16 -","- C209 H338 Ag16 Cl18 I32 N16 -","1","0.5","","Xu, Biao; Wang, Ruji; Wang, Xun","Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI.","Nanoscale","2012","4","8","2713","2719","10.1039/c2nr30139c","","","0.71073","MoKα","","0.1058","0.0867","","","0.1897","0.2046","","","","","","1.458","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515308","40.575","0.009","19.793","0.005","37.187","0.009","90","","116.285","0.003","90","","26777","11","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C220 H172 Br12 Cd12 N4 O20 P8 Pt26 -","- C220 H172 Br12 Cd12 N4 O20 P8 Pt26 -","- C880 H688 Br48 Cd48 N16 O80 P32 Pt104 -","4","0.5","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano; Zarra, Salvatore","Surface decorated platinum carbonyl clusters.","Nanoscale","2012","4","14","4166","4177","10.1039/c2nr30400g","","","0.71073","MoKα","","0.1753","0.0885","","","0.2229","0.2872","","","","","","1.031","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515309","19.014","0.004","19.296","0.008","20.388","0.005","109.55","0.004","116.364","0.003","93.478","0.004","6119","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C195.7 H193.96 Br12.57 Cd12 N10.57 O30.57 P6 Pt26.57 -","- C195.686 H193.934 Br12.562 Cd12 N10.562 O30.562 P6 Pt26.562 -","- C195.686 H193.934 Br12.562 Cd12 N10.562 O30.562 P6 Pt26.562 -","1","0.5","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano; Zarra, Salvatore","Surface decorated platinum carbonyl clusters.","Nanoscale","2012","4","14","4166","4177","10.1039/c2nr30400g","","","0.71073","MoKα","","0.2144","0.0964","","","0.2214","0.2842","","","","","","0.979","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515358","7.0069","0.0004","12.8404","0.0007","12.4298","0.0007","90","","92.9276","0.0005","90","","1116.87","0.11","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cl2 Ru S -","- C10 H14 Cl2 Ru S -","- C40 H56 Cl8 Ru4 S4 -","4","1","","Camacho-Fernandez, Miguel A.; Yen, Max; Ziller, Joseph W.; Guan, Zhibin","Direct observation of a cationic ruthenium complex for ethylene insertion polymerization","Chemical Science","2013","4","7","2902","","10.1039/c3sc50676b","","","0.71073","MoKα","","0.0163","0.0159","","","0.041","0.0413","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515359","6.8375","0.0003","13.5463","0.0005","12.8712","0.0005","90","","93.878","0.0004","90","","1189.44","0.08","88","2","88","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Ru S -","- C12 H20 Ru S -","- C48 H80 Ru4 S4 -","4","1","","Camacho-Fernandez, Miguel A.; Yen, Max; Ziller, Joseph W.; Guan, Zhibin","Direct observation of a cationic ruthenium complex for ethylene insertion polymerization","Chemical Science","2013","4","7","2902","","10.1039/c3sc50676b","","","0.71073","MoKα","","0.0179","0.0171","","","0.0418","0.0422","","","","","","1.092","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1515360","13.987","0.007","8.17","0.004","24.959","0.012","90","","90","","90","","2852","2","100","2","100","2","","","","","","","Nathalie Busschaert","5","P b c n","-P 2n 2ab","60","","","","- C13 H19 Cl N2 S -","- C13 H19 Cl N2 S -","- C104 H152 Cl8 N16 S8 -","8","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1033","0.0914","","","0.1303","0.1342","","","","","","1.324","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515361","5.2833","0.0005","14.9019","0.0015","18.0119","0.0018","91.957","0.007","95.987","0.007","92.116","0.007","1408.4","0.2","100","2","100","2","","","","","","","Nathalie Busschaert Marco Wenzel","5","P -1","-P 1","2","","","","- C13 H19 N3 O2 S -","- C13 H19 N3 O2 S -","- C52 H76 N12 O8 S4 -","4","2","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0359","0.0321","","","0.0849","0.0874","","","","","","1.079","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515362","7.466","0.003","8.049","0.003","13.472","0.005","82.276","0.009","82.154","0.01","63.734","0.008","716.7","0.5","100","2","100","2","","","","","","","Nathalie Busschaert Marco Wenzel","4","P -1","-P 1","2","","","","- C14 H19 N3 S -","- C14 H19 N3 S -","- C28 H38 N6 S2 -","2","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1143","0.1018","","","0.2625","0.2781","","","","","","1.064","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515363","10.731","0.003","8.475","0.002","16.092","0.004","90","","102.01","0.007","90","","1431.5","0.6","100","2","100","2","","","","","","","Nathalie Busschaert","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 N2 S -","- C14 H22 N2 S -","- C56 H88 N8 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1123","0.098","","","0.3033","0.3108","","","","","","1.15","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515364","11.0875","0.0008","7.4703","0.0006","37.579","0.003","90","","100.356","0.007","90","","3061.8","0.4","100","2","100","2","","","","","","","Nathalie Busschaert","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O2 S -","- C15 H22 N2 O2 S -","- C120 H176 N16 O16 S8 -","8","2","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1527","0.0864","","","0.2149","0.2537","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515365","13.298","0.008","13.278","0.006","8.673","0.004","90","","91.912","0.018","90","","1530.5","1.4","100","2","100","2","","","","","","","Nathalie Busschaert Stephen Moore","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 F3 N2 S -","- C14 H19 F3 N2 S -","- C56 H76 F12 N8 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0888","0.0549","","","0.1192","0.1325","","","","","","1.053","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515366","17.3563","0.0008","7.8428","0.0003","21.0265","0.0015","90","","97.599","0.007","90","","2837","0.3","100","2","100","2","","","","","","","Nathalie Busschaert","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Br N2 S -","- C13 H19 Br N2 S -","- C104 H152 Br8 N16 S8 -","8","2","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0523","0.0328","","","0.0662","0.0739","","","","","","1.068","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515367","17.405","0.012","8.732","0.006","17.612","0.012","90","","90","","90","","2677","3","100","2","100","2","","","","","","","Nathalie Busschaert Samuel J. Bradberry","5","P c a 21","P 2c -2ac","29","","","","- C13 H19 F N2 S -","- C13 H19 F N2 S -","- C104 H152 F8 N16 S8 -","8","2","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0822","0.0693","","","0.1303","0.1367","","","","","","1.099","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515368","5.553","0.004","9.157","0.008","30.91","0.03","90","","93.215","0.008","90","","1569","2","100","2","100","2","","","","","","","Nathalie Busschaert Jennifer R. Hiscock","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N2 O2 S -","- C15 H22 N2 O2 S -","- C60 H88 N8 O8 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0848","0.0724","","","0.1729","0.1805","","","","","","1.187","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515369","8.39","0.01","9.689","0.011","19.62","0.02","93.19","0.02","101.167","0.018","90.09","0.03","1562","3","100","2","100","2","","","","","","","Nathalie Busschaert Jennifer R. Hiscock","5","P -1","-P 1","2","","","","- C15 H24 N2 O S -","- C15 H24 N2 O S -","- C60 H96 N8 O4 S4 -","4","2","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1467","0.097","","","0.1868","0.2111","","","","","","1.151","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515370","11.4798","0.0008","8.4051","0.0006","15.6294","0.0011","90","","102.55","0.007","90","","1472.03","0.18","100","2","100","2","","","","","","","Nathalie Busschaert Jennifer R. Hiscock","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 I N2 S -","- C13 H19 I N2 S -","- C52 H76 I4 N8 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0327","0.025","","","0.0541","0.0562","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515371","5.2392","0.0004","11.02","0.0009","14.5788","0.0011","75.946","0.005","79.884","0.006","79.501","0.006","795.2","0.11","100","2","100","2","","","","","","","Nathalie Busschaert Jennifer R. Hiscock","6","P -1","-P 1","2","","","","- C15 H19 F3 N2 O S -","- C15 H19 F3 N2 O S -","- C30 H38 F6 N4 O2 S2 -","2","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0376","0.0331","","","0.0878","0.0952","","","","","","1.086","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515372","36.04","0.005","4.347","0.005","9.59","0.005","90","0.005","95.3","0.005","90","0.005","1496","1.9","100","2","100","2","","","","","","","Nathalie Busschaert","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 N2 O S -","- C14 H22 N2 O S -","- C56 H88 N8 O4 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.6889","","","0.1509","0.0993","","","0.2443","0.2973","","","","","","0.953","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515373","13.07","0.02","13.28","0.03","8.885","0.018","90","","93.56","0.02","90","","1539","5","100","2","100","2","","","","","","","Nathalie Busschaert","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N2 S -","- C15 H24 N2 S -","- C60 H96 N8 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.6889","","","0.1794","0.1039","","","0.2559","0.3229","","","","","","1.075","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515374","22.536","0.005","7.7393","0.0016","9.223","0.002","90","","98.488","0.007","90","","1591","0.6","100","2","100","2","","","","","","","Nathalie Busschaert Jennifer R. Hiscock","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N2 S -","- C16 H26 N2 S -","- C64 H104 N8 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1934","0.0788","","","0.1361","0.1688","","","","","","0.935","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515375","7.756","0.006","10.12","0.007","37.38","0.03","90","","90","","90","","2934","4","100","2","100","2","","","","","","","Nathalie Busschaert Jennifer R. Hiscock","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 N2 O S -","- C15 H22 N2 O S -","- C120 H176 N16 O8 S8 -","8","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1142","0.097","","","0.2373","0.2504","","","","","","1.111","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515384","3.9559","0.0003","20.3303","0.0014","18.2471","0.0013","90","","95.041","0.001","90","","1461.84","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","resveratrol tricyanate","","","- C17 H9 N3 O3 -","- C17 H9 N3 O3 -","- C68 H36 N12 O12 -","4","1","","Cash, Jessica J.; Davis, Matthew C.; Ford, Michael D.; Groshens, Thomas J.; Guenthner, Andrew J.; Harvey, Benjamin G.; Lamison, Kevin R.; Mabry, Joseph M.; Meylemans, Heather A.; Reams, Josiah T.; Sahagun, Christopher M.","High Tg thermosetting resins from resveratrol","Polymer Chemistry","2013","4","13","3859","","10.1039/c3py00438d","","","0.71073","MoKα","","0.0947","0.0461","","","0.0966","0.1208","","","","","","1.013","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515385","4.4993","0.0002","19.1442","0.0008","17.708","0.0007","90","","93.733","0.001","90","","1522.05","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dihydroresveratrol tricyanate","","","- C17 H11 N3 O3 -","- C17 H11 N3 O3 -","- C68 H44 N12 O12 -","4","1","","Cash, Jessica J.; Davis, Matthew C.; Ford, Michael D.; Groshens, Thomas J.; Guenthner, Andrew J.; Harvey, Benjamin G.; Lamison, Kevin R.; Mabry, Joseph M.; Meylemans, Heather A.; Reams, Josiah T.; Sahagun, Christopher M.","High Tg thermosetting resins from resveratrol","Polymer Chemistry","2013","4","13","3859","","10.1039/c3py00438d","","","0.71073","MoKα","","0.0569","0.039","","","0.1018","0.1164","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515386","9.1861","0.0012","13.055","0.0017","13.3338","0.0017","75.872","0.003","81.166","0.003","89.59","0.003","1531.5","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H34 N3 O5 -","- C35 H34 N3 O5 -","- C70 H68 N6 O10 -","2","1","","Astolfi, Paola; Greci, Lucedio; Stipa, Pierluigi; Rizzoli, Corrado; Ysacco, Cedric; Rollet, Marion; Autissier, Laurent; Tardy, Antoine; Guillaneuf, Yohann; Gigmes, Didier","Indolinic nitroxides: evaluation of their potential as universal control agents for nitroxide mediated polymerization","Polymer Chemistry","2013","4","13","3694","","10.1039/c3py00368j","","","0.71073","MoKα","","0.1915","0.0533","","","0.0508","0.0648","","","","","","0.87","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515387","37.756","0.004","11.9135","0.0011","27.853","0.005","90","","129.968","0.001","90","","9602","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H60 Br2 O10 -","- C51 H60 Br2 O10 -","- C408 H480 Br16 O80 -","8","1","","Wang, Xiaoyang; Han, Kang; Li, Jian; Jia, Xueshun; Li, Chunju","Pillar[5]arene–neutral guest recognition based supramolecular alternating copolymer containing [c2]daisy chain and bis-pillar[5]arene units","Polymer Chemistry","2013","4","14","3998","","10.1039/c3py00462g","","","0.71073","MoKα","","0.0627","0.0413","","","0.1136","0.1223","","","","","","1.065","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515395","15.8662","0.0012","13.3414","0.0011","23.2173","0.0018","90","","96.374","0.001","90","","4884.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N2 O9 Zn -","- C22 H28 N2 O9 Zn -","- C176 H224 N16 O72 Zn8 -","8","2","","Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E.","New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling","Catalysis Science & Technology","2014","4","6","1658","","10.1039/c4cy00125g","","","0.71073","MoKα","","0.0892","0.0432","","","0.0876","0.1034","","","","","","1.005","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1515396","10.7526","0.0005","11.5952","0.0005","19.6353","0.0009","90","","100.72","0.001","90","","2405.38","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N4 O5 S Zn -","- C22 H26 N4 O5 S Zn -","- C88 H104 N16 O20 S4 Zn4 -","4","1","","Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E.","New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling","Catalysis Science & Technology","2014","4","6","1658","","10.1039/c4cy00125g","","","0.71073","MoKα","","0.0245","0.0218","","","0.0563","0.0578","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515397","10.9276","0.0006","11.7495","0.0006","18.1519","0.001","90","","97.784","0.001","90","","2309.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N4 O5 S Zn -","- C20 H20 Cl2 N4 O5 S Zn -","- C80 H80 Cl8 N16 O20 S4 Zn4 -","4","1","","Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E.","New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling","Catalysis Science & Technology","2014","4","6","1658","","10.1039/c4cy00125g","","","0.71073","MoKα","","0.0457","0.0331","","","0.0827","0.0863","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515398","13.3344","0.0008","9.1475","0.0006","24.1887","0.0015","90","","103.983","0.001","90","","2863","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cl2 N2 O9 S Zn -","- C24 H30 Cl2 N2 O9 S Zn -","- C96 H120 Cl8 N8 O36 S4 Zn4 -","4","1","","Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E.","New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling","Catalysis Science & Technology","2014","4","6","1658","","10.1039/c4cy00125g","","","0.71073","MoKα","","0.0302","0.0275","","","0.065","0.0665","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515399","7.8991","0.0005","26.6878","0.0018","15.6509","0.0011","90","","97.072","0.001","90","","3274.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 N2 O10 S2 Zn -","- C28 H42 N2 O10 S2 Zn -","- C112 H168 N8 O40 S8 Zn4 -","4","1","","Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E.","New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling","Catalysis Science & Technology","2014","4","6","1658","","10.1039/c4cy00125g","","","0.71073","MoKα","","0.0829","0.0637","","","0.1765","0.1826","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515995","5.041","0.002","8.806","0.002","9.727","0.002","90","","100.008","0.05","90","","425.2","0.2","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dilithium titanium oxide","","- Li2 O3 Ti -","- Li2 O3 Ti -","- Li16 O24 Ti8 -","8","1","","Dorrian, J F; Newnham, R E","Refinement of the structure of Li~2~ Ti O~3~","Materials Research Bulletin","1969","4","","179","184","10.1016/0025-5408(69)90054-3","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515999","9.356","0.002","10.965","0.002","12.863","0.003","75.982","0.007","74.937","0.007","78.025","0.007","1221.5","0.4","123.1","","","","","","","","","","","7","P 1","P 1","1","","","","- C61 H48 Cl Fe O3 P2 Rh -","- C61 H48 Cl Fe O3 P2 Rh -","- C61 H48 Cl Fe O3 P2 Rh -","1","1","","Tanaka, Kenichi; Kinbara, Kazushi","Toward autonomously operating molecular machines driven by transition-metal catalyst.","Molecular bioSystems","2008","4","6","512","514","10.1039/b801621f","","","0.7107","MoKα","","","0.0264","","","","0.0266","","","","","","1.254","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516015","10.3183","0.0004","17.5597","0.0006","17.9247","0.0006","118.281","0.002","100.373","0.002","94.895","0.002","2758.18","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H72 N2 O4 -","- C68 H72 N2 O4 -","- C136 H144 N4 O8 -","2","1","","Cardinaels, Thomas; Ramaekers, Jan; Nockemann, Peter; Driesen, Kris; Van Hecke, Kristof; Van Meervelt, Luc; Wang, Guojie; De Feyter, Steven; Iglesias, Eva Fernandez; Guillon, Daniel; Donnio, Bertrand; Binnemans, Koen; Bruce, Duncan W.","Rigid tetracatenar liquid crystals derived from 1,10-phenanthroline","Soft Matter","2008","4","11","2172","","10.1039/b805235b","","","1.54178","CuKα","","0.1845","0.0796","","","0.1744","0.2328","","","","","","1","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516026","14.493","0.0003","10.329","0.0008","15.392","0.0003","90","","109.523","0.002","90","","2171.68","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 N2 P2 -","- C25 H24 N2 P2 -","- C100 H96 N8 P8 -","4","1","","Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation","Catalysis Science & Technology","2014","4","8","2574","","10.1039/c4cy00457d","","","0.71073","Synchrotron","","0.0383","0.0366","","","0.0947","0.096","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516027","10.216","0.0007","10.318","0.0003","14.379","0.0006","79.664","0.002","76.635","0.002","71.842","0.005","1391.7","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 N2 P2 -","- C32 H38 N2 P2 -","- C64 H76 N4 P4 -","2","1","","Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation","Catalysis Science & Technology","2014","4","8","2574","","10.1039/c4cy00457d","","","0.71085","Synchrotron","","0.0415","0.039","","","0.105","0.1072","","","","","","1.071","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516028","8.608","0.0007","22.505","0.0008","13.765","0.0008","90","","106.913","0.002","90","","2551.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 N O P2 -","- C30 H31 N O P2 -","- C120 H124 N4 O4 P8 -","4","1","","Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation","Catalysis Science & Technology","2014","4","8","2574","","10.1039/c4cy00457d","","","0.7109","Synchrotron","","0.0481","0.0475","","","0.1063","0.1066","","","","","","1.123","","","","has coordinates,has disorder","301776","2025-08-18","14:47:49",""
"1516029","11.53","0.0008","15.337","0.0007","20.85","0.0017","90","","103.737","0.003","90","","3581.6","0.4","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C33.5 H34 Cl5 N O P2 Si Ti -","- C33.5 H34 Cl5 N O P2 Si Ti -","- C134 H136 Cl20 N4 O4 P8 Si4 Ti4 -","4","2","","Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation","Catalysis Science & Technology","2014","4","8","2574","","10.1039/c4cy00457d","","","0.7108","Synchrotron","","0.0568","0.045","","","0.1102","0.1448","","","","","","1.143","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516030","8.701","0.002","10.666","0.001","13.938","0.0013","70.248","0.001","84.203","0.003","81.578","0.003","1202.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 N O P2 -","- C30 H25 N O P2 -","- C60 H50 N2 O2 P4 -","2","1","","Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation","Catalysis Science & Technology","2014","4","8","2574","","10.1039/c4cy00457d","","","0.7108","Synchrotron","","0.0464","0.0435","","","0.1118","0.1145","","","","","","1.069","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516123","6.186","0.0005","9.6029","0.0009","16.4251","0.0011","77.495","0.006","80.955","0.006","87.557","0.007","940.68","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 F3 N O2 -","- C21 H20 F3 N O2 -","- C42 H40 F6 N2 O4 -","2","1","","Guo, Chun-Xiao; Zhang, Wen-Zhen; Liu, Si; Lu, Xiao-Bing","Cu(i)-catalyzed chemical fixation of CO2 with 2-alkynylaniline into 4-hydroxyquinolin-2(1H)-one","Catalysis Science & Technology","2014","4","6","1570","","10.1039/c3cy00858d","","","0.71073","MoKα","","0.1723","0.0993","","","0.2961","0.3474","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516124","7.7051","0.0004","10.8189","0.0005","11.1726","0.0005","75.918","0.003","86.59","0.003","87.802","0.003","901.49","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C42 H46 N2 O4 -","2","1","","Guo, Chun-Xiao; Zhang, Wen-Zhen; Liu, Si; Lu, Xiao-Bing","Cu(i)-catalyzed chemical fixation of CO2 with 2-alkynylaniline into 4-hydroxyquinolin-2(1H)-one","Catalysis Science & Technology","2014","4","6","1570","","10.1039/c3cy00858d","","","0.71073","MoKα","","0.0573","0.0469","","","0.1415","0.1522","","","","","","1.08","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516125","21.5392","0.0008","14.9764","0.0006","11.0367","0.0004","90","","102.006","0.001","90","","3482.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 N5 O8 S2 Zn -","- C31 H39 N5 O8 S2 Zn -","- C124 H156 N20 O32 S8 Zn4 -","4","1","","Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W.","Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates","Catalysis Science & Technology","2014","4","6","1615","","10.1039/c3cy01043k","","","0.71073","MoKα","","0.0669","0.041","","","0.1014","0.1171","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516126","20.7881","0.0008","19.8405","0.0008","7.4304","0.0003","90","","97.665","0.001","90","","3037.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 I N3 O4 Zn -","- C30 H40 I N3 O4 Zn -","- C120 H160 I4 N12 O16 Zn4 -","4","1","","Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W.","Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates","Catalysis Science & Technology","2014","4","6","1615","","10.1039/c3cy01043k","","","0.71073","MoKα","","0.0458","0.0313","","","0.08","0.0914","","","","","","1.159","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516127","11.5808","0.0007","12.8843","0.0008","18.9944","0.0011","78.363","0.002","87.683","0.002","87.378","0.002","2771.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H64 Cl6 N6 O7 Zn -","- C46 H64 Cl6 N6 O7 Zn -","- C92 H128 Cl12 N12 O14 Zn2 -","2","1","","Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W.","Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates","Catalysis Science & Technology","2014","4","6","1615","","10.1039/c3cy01043k","","","0.71073","MoKα","","0.0839","0.0572","","","0.1473","0.1674","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516128","18.945","0.009","18.945","0.009","25.39","0.013","90","","90","","120","","7892","7","123","2","123","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C92 H126 Cl3 Cr2 Li N2 O5 -","- C78 H108 Cl3 Cr2 Li N2 O5 -","- C234 H324 Cl9 Cr6 Li3 N6 O15 -","3","0.5","","Chen, Hua; Dawe, Louise N.; Kozak, Christopher M.","Chromium(iii) amine-bis(phenolate) complexes as catalysts for copolymerization of cyclohexene oxide and CO2","Catalysis Science & Technology","2014","4","6","1547","","10.1039/c3cy01002c","","","0.71075","MoKα","","0.1351","0.1211","","","0.3154","0.3327","","","","","","1.187","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516136","29.9133","0.0015","18.7802","0.0009","19.2461","0.001","90","","114.861","0.001","90","","9810.1","0.9","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C78 H64 Cl2 O2 P4 Rh2 -","- C78 H66 Cl2 O2 P4 Rh2 -","- C312 H264 Cl8 O8 P16 Rh8 -","4","0.5","","Meißner, Antje; Alberico, Elisabetta; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Rhodium diphosphine complexes: a case study for catalyst activation and deactivation","Catal. Sci. Technol.","2014","4","10","3409","","10.1039/C4CY00497C","","","0.71073","MoKα","","0.0417","0.0307","","","0.0708","0.0735","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516137","10.1367","0.0013","10.1518","0.0013","21.075","0.003","93.865","0.005","102.017","0.005","108.917","0.005","1985.2","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H47 Cl O2 P2 Rh -","- C49.2 H46.4 Cl O1.8 P2 Rh -","- C98.4 H92.8 Cl2 O3.6 P4 Rh2 -","2","1","","Meißner, Antje; Alberico, Elisabetta; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Rhodium diphosphine complexes: a case study for catalyst activation and deactivation","Catal. Sci. Technol.","2014","4","10","3409","","10.1039/C4CY00497C","","","1.54178","CuKα","","0.0291","0.0285","","","0.0701","0.0704","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516155","7.361","0.0009","10.0951","0.0012","10.6561","0.0014","103.037","0.01","95.097","0.01","96.205","0.01","761.67","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H46 Al4 N2 O2 -","- C24 H46 Al4 N2 O2 -","- C24 H46 Al4 N2 O2 -","1","0.5","","Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl","Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide)","Catalysis Science & Technology","2014","4","9","3025","","10.1039/C4CY00624K","","","0.71073","MoKα","","0.078","0.0414","","","0.0932","0.1026","","","","","","0.859","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516156","8.751","0.0007","15.3173","0.0012","10.1026","0.0008","90","","90.1329","0.0013","90","","1354.17","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Al4 N2 O2 -","- C22 H38 Al4 N2 O2 -","- C44 H76 Al8 N4 O4 -","2","0.5","","Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl","Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide)","Catalysis Science & Technology","2014","4","9","3025","","10.1039/C4CY00624K","","","0.71073","MoKα","","0.0416","0.0329","","","0.0914","0.0969","","","","","","1.083","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1516157","7.1092","0.0004","21.245","0.0012","12.33","0.0007","90","","92.839","0.002","90","","1859.98","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H54 Al4 N2 O2 -","- C31 H54 Al4 N2 O2 -","- C62 H108 Al8 N4 O4 -","2","0.5","","Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl","Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide)","Catalysis Science & Technology","2014","4","9","3025","","10.1039/C4CY00624K","","","0.71073","MoKα","","0.0538","0.0386","","","0.097","0.1073","","","","","","1.026","","","","has coordinates,has disorder","301776","2025-08-18","14:47:49",""
"1516240","14.24","0.0007","6.321","0.0004","36.476","0.002","90","","98.915","0.003","90","","3243.6","0.3","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O3 -","- C20 H16 O3 -","- C160 H128 O24 -","8","2","","Yang, Shu-Wen; Elangovan, Arumugasamy; Ho, Tong-Ing","Donor-substituted phenyl-pi-chromones: electrochemiluminescence and intriguing electronic properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","4","327","332","10.1039/b416319b","","","0.71073","MoKα","","0.2998","0.1601","","0.3932","0.3582","","","","1.672","2.578","2.578","","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516241","10.414","0.003","21.894","0.005","17.805","0.004","90","","99.73","0.004","90","","4001.2","1.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 B2 Cl4 N13 O3 Pr -","- C34 H32 B2 Cl4 N13 O3 Pr -","- C136 H128 B8 Cl16 N52 O12 Pr4 -","4","1","","Davies, Graham M.; Adams, Harry; Pope, Simon J. A.; Faulkner, Stephen; Ward, Michael D.","Photophysical properties of Pr(III) and Er(III) complexes of poly(pyrazolyl)borates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","10","829","834","10.1039/b508382f","","","0.71073","MoKα","","0.0985","0.0677","","","0.1933","0.2181","","","","","","1.046","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516242","10.8892","0.0016","20.125","0.003","18.381","0.003","90","","105.919","0.002","90","","3873.6","1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 B2 Cl4 Er N13 O3 -","- C34 H32 B2 Cl4 Er N13 O3 -","- C136 H128 B8 Cl16 Er4 N52 O12 -","4","1","","Davies, Graham M.; Adams, Harry; Pope, Simon J. A.; Faulkner, Stephen; Ward, Michael D.","Photophysical properties of Pr(III) and Er(III) complexes of poly(pyrazolyl)borates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","10","829","834","10.1039/b508382f","","","0.71073","MoKα","","0.031","0.0239","","","0.0556","0.0576","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516243","15.986","0.002","12.999","0.001","18.745","0.002","90","","107.35","0.01","90","","3718","0.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Si -","- C22 H24 Si -","- C176 H192 Si8 -","8","1","","Zarkadis, Antonios K.; Georgakilas, Vassilios; Perdikomatis, Gerasimos P.; Trifonov, Anton; Gurzadyan, Gagik G.; Skoulika, Stavroula; Siskos, Michael G.","Triplet- vs. singlet-state imposed photochemistry. The role of substituent effects on the photo-Fries and photodissociation reaction of triphenylmethyl silanes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","6","469","480","10.1039/b502089a","","","0.71073","MoKα","","0.0817","0.049","","","0.117","0.1355","","","","","","0.992","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516244","17.088","0.002","10.053","0.003","13.654","0.002","90","","90","","90","","2345.6","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H28 O Si -","- C29 H28 O Si -","- C116 H112 O4 Si4 -","4","1","","Zarkadis, Antonios K.; Georgakilas, Vassilios; Perdikomatis, Gerasimos P.; Trifonov, Anton; Gurzadyan, Gagik G.; Skoulika, Stavroula; Siskos, Michael G.","Triplet- vs. singlet-state imposed photochemistry. The role of substituent effects on the photo-Fries and photodissociation reaction of triphenylmethyl silanes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","6","469","480","10.1039/b502089a","","","0.71073","MoKα","","0.095","0.0555","","","0.1316","0.1616","","","","","","1.005","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516245","7.173","0.0004","10.269","0.0005","22.512","0.0011","90","","90.57","0.004","90","","1658.14","0.15","290","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-benzyllumiflavin","3-benzyl-5,7,8-trimethyl-isoalloxazine","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C80 H72 N16 O8 -","4","1","","Insińska-Rak, Malgorzata; Sikorska, Ewa; Herance, Jose R.; Bourdelande, Jose L.; Khmelinskii, Igor V.; Kubicki, Maciej; Prukała, Wiesław; Machado, Isabel F.; Komasa, Anna; Ferreira, Luis F. V.; Sikorski, Marek","Spectroscopy and photophysics of flavin-related compounds: 3-benzyl-lumiflavin.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","6","463","468","10.1039/b503898g","","","0.71073","MoKα","","0.0832","0.0469","","","0.1182","0.1349","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516246","17.287","0.007","12.249","0.007","17.804","0.01","90","","103.09","0.04","90","","3672","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","exo-3,5,5-trimethyl-1-(2,2-trimethylpropanoyl)-7-oxo- 3,3a,4,5,6,7-hexahydro-2H-indene-2,2-dicarbonitrile","exo-3,5,5-trimethyl-1-(2,2-trimethylpropanoyl)-7-oxo-3,3a,4,5,6,7- hexahydro-2H-indene-2,2-dicarbonitrile","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C152 H192 N16 O16 -","8","2","","Lohmeyer, Britta; Margaretha, Paul","Photocycloaddition of cyclohex-2-enones to alkylidenemalononitriles (1,1-dicyanoalkenes).","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","8","637","640","10.1039/b506022b","","","0.71073","MoKα","","0.1081","0.0575","","","0.1329","0.1542","","","","","","1.082","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516247","18.7448","0.0014","6.7681","0.0005","22.9068","0.0017","90","","111.483","0.001","90","","2704.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1alpha,6alpha-4,4,8,8-tetramethyl-2-oxobicyclo(4.2.0)octane- 7,7-dicarbonitrile","1α,6α-4,4,8,8-tetramethyl-2-oxobicyclo[4.2.0]octane-7,7-dicarbonitrile","","- C14 H18 N2 O -","- C14 H18 N2 O -","- C112 H144 N16 O8 -","8","2","","Lohmeyer, Britta; Margaretha, Paul","Photocycloaddition of cyclohex-2-enones to alkylidenemalononitriles (1,1-dicyanoalkenes).","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","8","637","640","10.1039/b506022b","","","0.71073","MoKα","","0.0669","0.0474","","","0.1225","0.1317","","","","","","0.97","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516248","17.211","0.003","12.442","0.002","22.955","0.003","90","","105.75","0.02","90","","4731","1.4","301.2","","301.2","","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C39 H59 Au2 Br O2 P2 -","- C39 H59 Au2 Br O2 P2 -","- C156 H236 Au8 Br4 O8 P8 -","4","1","","Wing-Wah Yam, Vivian; Cheung, Kai-Leung; Yip, Sung-Kong; Zhu, Nianyong","Synthesis, characterisation, electrochemistry and luminescence studies of 9-anthrylgold(I) complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","1","149","153","10.1039/b410667a","","","0.71073","MoKalpha","","","0.0566","","","0.0836","","","","","2.489","2.489","","","","","has coordinates","188742","2020-10-21","18:00:00",""
"1516249","12.258","0.002","16.047","0.003","23.166","0.003","90","","98.75","0.02","90","","4503.8","1.3","301.2","","301.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 Au2 Cl2 P2 -","- C54 H42 Au2 Cl2 P2 -","- C216 H168 Au8 Cl8 P8 -","4","1","","Wing-Wah Yam, Vivian; Cheung, Kai-Leung; Yip, Sung-Kong; Zhu, Nianyong","Synthesis, characterisation, electrochemistry and luminescence studies of 9-anthrylgold(I) complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","1","149","153","10.1039/b410667a","","","0.7107","MoKalpha","","","0.0496","","","0.0604","","","","","1.837","1.837","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516520","12.2189","0.0009","13.6109","0.0009","15.9826","0.0011","90","","102.501","0.005","90","","2595.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cr F3 N4 O5 -","- C27 H26 Cr F3 N4 O5 -","- C108 H104 Cr4 F12 N16 O20 -","4","1","","Elmas, Sait; Subhani, Muhammad A.; Harrer, Marcus; Leitner, Walter; Sundermeyer, Jörg; Müller, Thomas E.","Highly active Cr(iii) catalysts for the reaction of CO2 with epoxides","Catalysis Science & Technology","2014","4","6","1652","","10.1039/c3cy01087b","","","0.71069","MoKα","","0.1607","0.0437","","","0.0743","0.1002","","","","","","0.718","","","","has coordinates,has disorder","301776","2025-08-18","14:47:49",""
"1516521","9.8802","0.0004","14.1274","0.0004","19.4439","0.0009","90","","94.197","0.003","90","","2706.73","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 Cl Cr N5 O4 -","- C28 H33 Cl Cr N5 O4 -","- C112 H132 Cl4 Cr4 N20 O16 -","4","1","","Elmas, Sait; Subhani, Muhammad A.; Harrer, Marcus; Leitner, Walter; Sundermeyer, Jörg; Müller, Thomas E.","Highly active Cr(iii) catalysts for the reaction of CO2 with epoxides","Catalysis Science & Technology","2014","4","6","1652","","10.1039/c3cy01087b","","","0.71069","MoKα","","0.0751","0.0452","","","0.1144","0.1222","","","","","","0.89","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516575","16.6243","0.0005","16.8939","0.0005","17.7667","0.0007","110.65","0.0011","107.187","0.0012","106.29","0.002","4026.5","0.3","150","","150","","","","","","","","","9","P -1","-P 1","2","","[Rh(XantPhos)(H2BCH2CH2SiME3NMe3)][BArF4]","","- C79 H68 B2 F24 N O P2 Rh Si -","- C79 H68 B2 F24 N O P2 Rh Si -","- C158 H136 B4 F48 N2 O2 P4 Rh2 Si2 -","2","1","","Johnson, Heather C.; Torry-Harris, Rebecca; Ortega, Laura; Theron, Robin; McIndoe, J. Scott; Weller, Andrew S.","Exploring the mechanism of the hydroboration of alkenes by amine‒boranes catalysed by [Rh(xantphos)]+","Catal. Sci. Technol.","2014","4","10","3486","","10.1039/C4CY00597J","","","0.71073","MoKα","","0.1182","0.086","","0.2043","0.1973","0.2043","","","","","","0.9482","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516576","12.9076","0.0001","17.803","0.0002","19.959","0.0003","87.9991","0.0005","74.6948","0.0005","87.0039","0.0006","4416.68","0.09","150","","150","","","","","","","","","7","P -1","-P 1","2","","[Rh(Xantphos)(PCy3)][BArF4]","","- C89 H77 B F24 O P3 Rh -","- C89 H77 B F24 O P3 Rh -","- C178 H154 B2 F48 O2 P6 Rh2 -","2","1","","Johnson, Heather C.; Torry-Harris, Rebecca; Ortega, Laura; Theron, Robin; McIndoe, J. Scott; Weller, Andrew S.","Exploring the mechanism of the hydroboration of alkenes by amine–boranes catalysed by [Rh(xantphos)]+","Catal. Sci. Technol.","2014","4","10","3486","","10.1039/C4CY00597J","","","0.71073","MoKα","","0.0857","0.051","","0.1393","0.1339","0.1393","","","","","","0.9426","","","","has coordinates,has disorder","301776","2025-08-18","14:47:50",""
"1517096","8.5556","0.0001","10.4982","0.0002","14.8086","0.0002","90","","90","","90","","1330.08","0.03","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Mo O5 -","- C12 H12 Mo O5 -","- C48 H48 Mo4 O20 -","4","1","","Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E.","Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation","Catal. Sci. Technol.","2014","4","12","4219","","10.1039/C4CY00738G","","x-ray","0.71073","MoKα","","0.021","0.0208","","","0.0542","0.0544","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517097","10.3022","0.0008","11.1065","0.0009","23.6758","0.0019","90","","90","","90","","2709","0.4","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H14 Mo O5 -","- C13 H14 Mo O5 -","- C104 H112 Mo8 O40 -","8","1","","Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E.","Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation","Catal. Sci. Technol.","2014","4","12","4219","","10.1039/C4CY00738G","","x-ray","0.71073","MoKα","","0.032","0.0231","","","0.0474","0.0524","","","","","","1.135","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517098","7.417","0.0002","7.6621","0.0002","34.3794","0.0009","90","","90","","90","","1953.77","0.09","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Mo O5 -","- C20 H24 Mo O5 -","- C80 H96 Mo4 O20 -","4","1","","Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E.","Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation","Catal. Sci. Technol.","2014","4","12","4219","","10.1039/C4CY00738G","","x-ray","0.71073","MoKα","","0.0707","0.055","","","0.0905","0.0943","","","","","","1.149","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517104","19.1485","0.0018","16.4725","0.001","24.797","0.002","90","","101.162","0.011","90","","7673.6","1.1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H106 Fe4 N10 O23 Y2 -","- C56 H106 Fe4 N10 O23 Y2 -","- C224 H424 Fe16 N40 O92 Y8 -","4","1","","Mereacre, Valeriu; Klöwer, Frederik; Lan, Yanhua; Clérac, Rodolphe; Wolny, Juliusz A.; Schünemann, Volker; Anson, Christopher E.; Powell, Annie K.","Spin relaxation in antiferromagnetic Fe-Fe dimers slowed down by anisotropic Dy(III) ions.","Beilstein journal of nanotechnology","2013","4","","807","814","10.3762/bjnano.4.92","","","0.71073","MoKα","","0.0619","0.0416","","","0.0986","0.1073","","","","","","0.986","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517105","13.9237","0.0006","14.5196","0.0007","25.1289","0.001","82.856","0.003","79.71","0.003","65.545","0.003","4542.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H133 Dy2 Fe4 N13 O22 -","- C68 H130 Dy2 Fe4 N13 O22 -","- C136 H260 Dy4 Fe8 N26 O44 -","2","1","","Mereacre, Valeriu; Klöwer, Frederik; Lan, Yanhua; Clérac, Rodolphe; Wolny, Juliusz A.; Schünemann, Volker; Anson, Christopher E.; Powell, Annie K.","Spin relaxation in antiferromagnetic Fe-Fe dimers slowed down by anisotropic Dy(III) ions.","Beilstein journal of nanotechnology","2013","4","","807","814","10.3762/bjnano.4.92","","","0.71073","MoKα","","0.0543","0.0449","","","0.1161","0.1201","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517180","14.959","0.005","4.722","0.005","26.639","0.005","90","","90","","90","","1882","2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H8 O S -","- C12 H8 O S -","- C96 H64 O8 S8 -","8","2","","Zhong, Yanzhen; Yuan, Linxin; Huang, Zheng; Gu, Wenchao; Shao, Ye; Han, Wei","Unexpected hydrazine hydrate-mediated aerobic oxidation of aryl/ heteroaryl boronic acids to phenols in ambient air","RSC Adv.","2014","4","63","33164","33167","10.1039/C4RA05589F","","","0.71069","MoKα","","0.0397","0.0352","","","0.0873","0.0904","","","","","","1.051","","","","has coordinates","282777","2023-04-20","11:56:42",""
"1517197","13.973","0.0015","16.4623","0.0017","22.216","0.002","90","","90","","90","","5110.3","0.9","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47.5 H40 Cl2 O7.5 P2 -","- C47.5 H44 Cl2 O7.5 P2 -","- C190 H176 Cl8 O30 P8 -","4","1","","Qiu, Liqin; Qi, Jianying; Pai, Cheng-Chao; Chan, Shusun; Zhou, Zhongyuan; Choi, Michael C. K.; Chan, Albert S. C.","Synthesis of novel diastereomeric diphosphine ligands and their applications in asymmetric hydrogenation reactions.","Organic letters","2002","4","26","4599","4602","10.1021/ol026817+","","","0.71073","MoKα","","0.1439","0.0643","","","0.1525","0.1769","","","","","","0.995","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517199","9.1151","0.0001","10.0902","0.0003","13.9221","0.0004","89.227","0.001","85.947","0.001","83.901","0.002","1270","0.05","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C26 H34 O5 S2 -","- C26 H34 O5 S2 -","- C52 H68 O10 S4 -","2","1","","Xu, Jianwei; Lai, Yee-Hing","Synthesis, Complexation, and Supramolecular Assembly of 21,30-Dithia-17,25-dimethyl-1,4,7,10,13- pentaoxa[13.3.3](1,2,6)cyclophane†","Organic Letters","2002","4","19","3211","","10.1021/ol026374+","","","0.71073","MoKα","","0.112","0.0715","","0.1889","0.1698","","","","1","1.154","1.154","","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517200","20.1965","0.0006","9.2913","0.0003","16.3782","0.0005","90","","90.883","0.001","90","","3073.03","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 Cl Na O10 S2 -","- C27 H38 Cl Na O10 S2 -","- C108 H152 Cl4 Na4 O40 S8 -","4","1","","Xu, Jianwei; Lai, Yee-Hing","Synthesis, Complexation, and Supramolecular Assembly of 21,30-Dithia-17,25-dimethyl-1,4,7,10,13- pentaoxa[13.3.3](1,2,6)cyclophane†","Organic Letters","2002","4","19","3211","","10.1021/ol026374+","","","0.71073","MoKα","","0.1037","0.0639","","","0.1482","0.1652","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517202","8.117","0.005","7.669","0.005","28.305","0.005","90","","94.859","0.005","90","","1755.6","1.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 Cl N O2 -","- C18 H24 Cl N O2 -","- C72 H96 Cl4 N4 O8 -","4","2","","Chauhan, ManMohan Singh; Yadav, Geeta Devi; Hussain, Firasat; Singh, Surendra","N-Fluorobenzenaminium tetrafluoroborate generated in situ by aniline and Selectfluor as a reusable catalyst for the ring opening of epoxides with amines under microwave irradiation","Catal. Sci. Technol.","2014","4","11","3945","","10.1039/C4CY00609G","","","0.71069","MoKα","","0.1054","0.0633","","","0.1043","0.1188","","","","","","1.009","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517270","12.4064","0.0002","17.4016","0.0003","25.8891","0.0005","90","","90","","90","","5589.23","0.17","90","0.2","90","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C61 H54 Cl4 N4 O2 P2 Zn2 -","- C61 H54 Cl4 N4 O2 P2 Zn2 -","- C244 H216 Cl16 N16 O8 P8 Zn8 -","4","1","","Lippert, Cameron A.; Liu, Kun; Sarma, Moushumi; Parkin, Sean R.; Remias, Joseph E.; Brandewie, Christine M.; Odom, Susan A.; Liu, Kunlei","Improving carbon capture from power plant emissions with zinc- and cobalt-based catalysts","Catal. Sci. Technol.","2014","4","10","3620","","10.1039/C4CY00766B","","","1.54178","CuKα","","0.0341","0.0332","","","0.0918","0.0928","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517301","11.5105","0.0012","14.3683","0.0015","25.09","0.003","90","","90","","90","","4149.5","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H40 Br2 P2 Pd -","- C48 H40 Br2 P2 Pd -","- C192 H160 Br8 P8 Pd4 -","4","1","","Cabrera, Armando; Sharma, Pankaj; Pérez-Flores, F. Javier; Velasco, Luis; Arias, J. Luis; Rubio-Pérez, Laura","Diastereo- and enantioselective reductive amination of cycloaliphatic ketones by preformed chiral palladium complexes","Catalysis Science & Technology","2014","4","8","2626","","10.1039/c4cy00058g","","","0.71073","MoKα","","0.038","0.0297","","","0.0612","0.064","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517302","12.1698","0.0011","12.3293","0.0012","26.72","0.003","90","","98.314","0.002","90","","3967.1","0.7","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40.5 H43 Br2 O0.5 P2 Pd -","- C45.5 H43 Br2 O0.5 P2 Pd -","- C182 H172 Br8 O2 P8 Pd4 -","4","2","","Cabrera, Armando; Sharma, Pankaj; Pérez-Flores, F. Javier; Velasco, Luis; Arias, J. Luis; Rubio-Pérez, Laura","Diastereo- and enantioselective reductive amination of cycloaliphatic ketones by preformed chiral palladium complexes","Catalysis Science & Technology","2014","4","8","2626","","10.1039/c4cy00058g","","","0.71073","MoKα","","0.0695","0.0452","","","0.0866","0.0953","","","","","","0.982","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517303","10.2832","0.0009","12.9507","0.0012","10.9322","0.001","90","","112.013","0.001","90","","1349.8","0.2","298","2","298","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C25 H26 Br2 Cl2 N O P Pd -","- C25 H26 Br2 Cl2 N O P Pd -","- C50 H52 Br4 Cl4 N2 O2 P2 Pd2 -","2","1","","Cabrera, Armando; Sharma, Pankaj; Pérez-Flores, F. Javier; Velasco, Luis; Arias, J. Luis; Rubio-Pérez, Laura","Diastereo- and enantioselective reductive amination of cycloaliphatic ketones by preformed chiral palladium complexes","Catalysis Science & Technology","2014","4","8","2626","","10.1039/c4cy00058g","","","0.71073","MoKα","","0.0296","0.0269","","","0.0559","0.0568","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517441","7.8138","0.0003","14.5845","0.0005","19.1054","0.0007","68.745","0.003","87.157","0.003","75.844","0.003","1965.7","0.13","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 Ir N2 -","- C23 H29 Ir N2 -","- C92 H116 Ir4 N8 -","4","2","","Forberg, Daniel; Obenauf, Johannes; Friedrich, Martin; Hühne, Sven-Martin; Mader, Werner; Motz, Günter; Kempe, Rhett","The synthesis of pyrroles via acceptorless dehydrogenative condensation of secondary alcohols and 1,2-amino alcohols mediated by a robust and reusable catalyst based on nanometer-sized iridium particles","Catal. Sci. Technol.","2014","4","12","4188","","10.1039/C4CY01018C","","","0.71073","MoKα","","0.0941","0.0627","","","0.145","0.1596","","","","","","0.975","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517513","6.2172","0.0002","16.4455","0.0005","7.0797","0.0002","90","","102.836","0.001","90","","705.77","0.04","123","","123","","","","","","","","see text","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H11 F6 N4 P -","- C13 H11 F6 N4 P -","- C26 H22 F12 N8 P2 -","2","0.5","","Markovits, Iulius I. E.; Anthofer, Michael H.; Kolding, Helene; Cokoja, Mirza; Pöthig, Alexander; Raba, Andreas; Herrmann, Wolfgang A.; Fehrmann, Rasmus; Kühn, Fritz E.","Efficient epoxidation of propene using molecular catalysts","Catal. Sci. Technol.","2014","4","11","3845","","10.1039/C4CY01066C","","x-ray","0.71073","MoKα","","0.0282","0.0279","","","0.0681","0.0683","","","","","","1.101","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1518356","7.8532","0.0016","10","0.002","13.192","0.003","90","","105.06","0.03","90","","1000.4","0.4","210","2","210","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H13 Co N4 O9 -","- C2 H13 Co N4 O9 -","- C8 H52 Co4 N16 O36 -","4","1","","Hrib, Cristian; Blaurock, Steffen; Edelmann, Frank","Crystallization and Structure Determination of Fac-Triammin-Aquo-Oxalato-Cobalt (III)-Nitrate Monohydrate","Crystals","2014","4","4","490","","10.3390/cryst4040490","","","0.71073","MoKα","","0.0793","0.0525","","","0.126","0.1327","","","","","","0.881","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1520844","7.607","","5.837","","9.879","","90","","91.2","","90","","438.552","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K3 Ce (As O4)2","","- As2 Ce K3 O8 -","- As2 Ce K3 O8 -","- As4 Ce2 K6 O16 -","2","0.5","","Belam, W.; Zid, M.F.; Daoud, A.; Driss, A.","Preparation et etude structurale du tripotassium cerium(III) bis-arseniate: K3 Ce (As O4)2","Journal de la Societe Chimique, Tunis","2000","4","","715","722","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520845","13.354","","13.354","","18.335","","90","","90","","120","","2831.62","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Na3 Y0.111 Al1.887 (As O4)3","","- Al1.887 As3 Na3 O12 Y0.111 -","- Al1.887 As3 Na3 O12 Y0.111 -","- Al22.644 As36 Na36 O144 Y1.332 -","12","0.333333","","Belam, W.; Daoud, A.; Driss, A.; Madani, A.","Elaboration et etude radiocristallographique du trisodium yttrium-aluminium triarsenic dodecaoxyde Na3 Y0.11 Al1.89 (As O4)3 R . Effet du dopage par Na2 O sur la conductivite electrique","Journal de la Societe Chimique, Tunis","2000","4","","735","743","","","","","","","","","","","","","","","","","","","","","","has coordinates","140400","2020-10-21","18:00:00",""
"1521041","7.857","","7.711","","8.055","","90","","90.43","","90","","488.001","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Rb Cr O3 Cl","","- Cl Cr O3 Rb -","- Cl Cr O3 Rb -","- Cl4 Cr4 O12 Rb4 -","4","1","","Foster, J.J.; Sterns, M.","Crystal structures of cesium and rubidium chlorochromates, Cs Cr O3 Cl and Rb Cr O3 Cl","Journal of Crystal and Molecular Structure","1974","4","","149","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521788","6.008","","6.008","","6.008","","90","","90","","90","","216.865","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Hg (S0.4 Se0.6)","","- Hg S0.4 Se0.6 -","- Hg S0.4 Se0.6 -","- Hg4 S1.6 Se2.4 -","4","0.0416667","","Kharkhorin, F.F.; Pashkovskii, M.V.; Lutsiv, R.V.; Petrov, V.M.; Svekolkina, L.G.; Mikhailyuk, G.P.","Solid solutions in the Hg Se-Hg S sytem","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1968","4","","39","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522282","11.95","","11.95","","11.95","","90","","90","","90","","1706.49","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Fe23 Yb6 -","- Fe23 Yb6 -","- Fe92 Yb24 -","4","0.0208333","","Kripyakevich, P.I.; Voroshilov, Yu.V.; Frankevich, D.P.","Compounds with Th6 Mn23-type structures in alloys of the rare-earth metals with manganese and iron","Poroshkovaya Metallurgiya","1965","4","","915","919","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522597","5.3","","5.3","","4.431","","90","","90","","120","","107.791","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- La Pd5 -","- La Pd5 -","- La Pd5 -","1","0.0416667","","Ning Yuantao; Zhu Jianzhong; Zheng Yun; Zhou Xinming; Chen Nianyi; Xu Hua","The prediction and synthesis of some new intermetallic compounds between transition metals and rare earth metals","Xiyou Jinshu","1985","4","","31","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522702","5.859","","5.859","","5.859","","90","","90","","90","","201.127","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Al0.724 Zn0.276) (Cu0.68 Zn0.32) Cu2","","- Al0.724 Cu2.68 Zn0.596 -","- Al0.724 Cu2.68 Zn0.596 -","- Al2.896 Cu10.72 Zn2.384 -","4","0.0208333","","Planes, A.; Macqueron, J.L.; Vives, E.; Rodriguez-Carvajal, J.; Morin, M.; Manosa, L.; Guerin, G.","Neutron diffraction study of of long-range atomic order in Cu-Al-Zn shape memory alloys","Journal of Physics: Condensed Matter","1992","4","","553","559","","","","","","","","","","","","","","","","","","","","","","has coordinates","142970","2020-10-21","18:00:00",""
"1522727","2.925","","2.925","","2.925","","90","","90","","90","","25.025","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Fe0.92 Sn0.08)","","- Fe0.92 Sn0.08 -","- Fe0.92 Sn0.08 -","- Fe1.84 Sn0.16 -","2","0.0208333","","Predel, B.; Frebel, M.","Precipitation behavior of alpha-solid solutions of the Fe-Sn system","Metallurgical Transactions","1973","4","","243","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","142998","2020-10-21","18:00:00",""
"1522842","3.778","","3.778","","3.778","","90","","90","","90","","53.924","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Mg Tb -","- Mg Tb -","- Mg Tb -","1","0.0208333","","Schaefer, W.; Will, G.; Buschow, K.H.J.","Magnetic structure and magnetic properties of Tb Mg","Journal of Magnetism and Magnetic Materials","1977","4","","28","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522993","2.76","","2.76","","4.418","","90","","90","","120","","29.146","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Mo0.41 Os0.59)","","- Mo0.41 Os0.59 -","- Mo0.41 Os0.59 -","- Mo0.82 Os1.18 -","2","0.0833333","","Taylor, A.; Doyle, N.J.; Kagle, B.J.","The constitution diagram of the system Mo-Os","Journal of the Less-Common Metals","1962","4","","436","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","143298","2020-10-21","18:00:00",""
"1522994","4.9693","","4.9693","","4.9693","","90","","90","","90","","122.712","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Mo3 Os -","- Mo3 Os -","- Mo6 Os2 -","2","0.0416667","","Taylor, A.; Doyle, N.J.; Kagle, B.J.","The constitution diagram of the system Mo-Os","Journal of the Less-Common Metals","1962","4","","436","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522997","6.2554","","7.8823","","5.4339","","90","","105.325","","90","","258.402","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Li H3 (Se O3)2","","- H3 Li O6 Se2 -","- H3 Li O6 Se2 -","- H6 Li2 O12 Se4 -","2","1","","Tellgren, R.; Liminga, R.","Hydrogen bond studies. 54. A neutron diffraction study of the ferroelectric lithium trihydrogen selenite, Li H3 (Se O3)2","Journal of Solid State Chemistry","1972","4","","255","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523025","3.01","","3.01","","4.83","","90","","90","","120","","37.898","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Hf Ti)","","- Hf Ti -","- Hf Ti -","- Hf Ti -","1","0.0416667","","Tylkina, M.A.; Pekarev, A.I.; Savitskii, E.M.","Phase diagram of the titanium-hafnium system","Zhurnal Neorganicheskoi Khimii","1959","4","","2320","2322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523068","3.839","","3.839","","7.796","","90","","90","","90","","114.897","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Pt3 V -","- Pt3 V -","- Pt6 V2 -","2","0.0625","","Waterstrat, R.M.","The vanadium platinum constitution diagram","Metallurgical Transactions","1973","4","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523148","2.9143","","2.9143","","2.9143","","90","","90","","90","","24.752","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Fe0.9 Pt0.1)","","- Fe0.9 Pt0.1 -","- Fe0.9 Pt0.1 -","- Fe1.8 Pt0.2 -","2","0.0208333","","Zwell, L.; Speich, G.R.; Leslie, W.C.","Effects of Co, Cr, Ir, Pt, Re, Rh, and Ru on the lattice parameter and density of alpha iron","Metallurgical Transactions","1973","4","","1990","1992","","","","","","","","","","","","","","","","","","","","","","has coordinates","143629","2020-10-21","18:00:00",""
"1523149","2.8934","","2.8934","","2.8934","","90","","90","","90","","24.223","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Fe0.9 Ru0.1)","","- Fe0.9 Ru0.1 -","- Fe0.9 Ru0.1 -","- Fe1.8 Ru0.2 -","2","0.0208333","","Zwell, L.; Speich, G.R.; Leslie, W.C.","Effects of Co, Cr, Ir, Pt, Re, Rh, and Ru on the lattice parameter and density of alpha iron","Metallurgical Transactions","1973","4","","1990","1992","","","","","","","","","","","","","","","","","","","","","","has coordinates","143631","2020-10-21","18:00:00",""
"1523236","7.879","","7.879","","5.447","","90","","90","","120","","292.84","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Ga3 Hf3 Nb2 -","- Ga3 Hf3 Nb2 -","- Ga6 Hf6 Nb4 -","2","0.0833333","","Belyavina, N.N.; Suprunenko, P.A.; Markiv, V.Ya.; Shevchenko, I.P.","Magnetic and X-ray diffraction investigations of the (Zr, Ti)5 Ga3, (Hf, Ti)5 Ga3 and (Hf, Nb)5 Ga3 solid solutions","Metallofizkika","1982","4","","179","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523237","7.782","","7.782","","5.424","","90","","90","","120","","284.468","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Ga3 (Hf2 Ti3)","","- Ga3 Hf2 Ti3 -","- Ga3 Hf2 Ti3 -","- Ga6 Hf4 Ti6 -","2","0.0833333","","Belyavina, N.N.; Suprunenko, P.A.; Markiv, V.Ya.; Shevchenko, I.P.","Magnetic and X-ray diffraction investigations of the (Zr, Ti)5 Ga3, (Hf, Ti)5 Ga3 and (Hf, Nb)5 Ga3 solid solutions","Metallofizkika","1982","4","","105","108","","","","","","","","","","","","","","","","","","","","","","has coordinates","143851","2020-10-21","18:00:00",""
"1523238","7.954","","7.954","","5.532","","90","","90","","120","","303.099","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Ga3 Ti2 Zr3 -","- Ga3 Ti2 Zr3 -","- Ga6 Ti4 Zr6 -","2","0.0833333","","Belyavina, N.N.; Shevchenko, I.P.; Suprunenko, P.A.; Markiv, V.Ya.","Magnetic and X-ray diffraction investigations of the (Zr, Ti)5 Ga3, (Hf, Ti)5 Ga3 and (Hf, Nb)5 Ga3 solid solutions","Metallofizkika","1982","4","","105","108","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523239","7.823","","7.823","","5.437","","90","","90","","120","","288.162","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Ga3 Ti3 Zr2 -","- Ga3 Ti3 Zr2 -","- Ga6 Ti6 Zr4 -","2","0.0833333","","Belyavina, N.N.; Shevchenko, I.P.; Markiv, V.Ya.; Suprunenko, P.A.","Magnetic and X-ray diffraction investigations of the (Zr, Ti)5 Ga3, (Hf, Ti)5 Ga3 and (Hf, Nb)5 Ga3 solid solutions","Metallofizkika","1982","4","","105","108","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523437","2.74","","2.74","","4.344","","90","","90","","120","","28.244","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Os Tc)","","- Os Tc -","- Os Tc -","- Os Tc -","1","0.0416667","","Darby, J.B.jr.; Downey, J.W.; Norton, L.J.; Lam, D.J.","Intermediate phases in binary systems of technetium-99 with several transition elements","Journal of the Less-Common Metals","1962","4","","558","563","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523438","2.75","","2.75","","4.437","","90","","90","","120","","29.059","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Re Tc)","","- Re Tc -","- Re Tc -","- Re Tc -","1","0.0416667","","Darby, J.B.jr.; Lam, D.J.; Norton, L.J.; Downey, J.W.","Intermediate phases in binary systems of technetium-99 with several transition elements","Journal of the Less-Common Metals","1962","4","","558","563","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523439","3.27","","3.27","","3.27","","90","","90","","90","","34.966","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Hf Tc -","- Hf Tc -","- Hf Tc -","1","0.0208333","","Darby, J.B.jr.; Lam, D.J.; Downey, J.W.; Norton, L.J.","Intermediate phases in binary systems of technetium-99 with several transition elements","Journal of the Less-Common Metals","1962","4","","558","563","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523606","4.549","","4.549","","8.229","","90","","90","","120","","147.472","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ir Mg3 -","- Ir Mg3 -","- Ir2 Mg6 -","2","0.0833333","","Ferro, R.; Rambaldi, G.; Capelli, R.","Research on the alloys of noble metals with the more electropositive elements. V. Micrographic and X-ray examination of some Mg-Ir alloys","Journal of the Less-Common Metals","1962","4","","16","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523775","3.1994","","3.1994","","5.1702","","90","","90","","120","","45.833","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Li0.14 Mg0.86)","","- Li0.14 Mg0.86 -","- Li0.14 Mg0.86 -","- Li0.28 Mg1.72 -","2","0.0833333","","Hardie, D.; Parkins, R.N.","Lattice spacing relationships in magnesium solid solutions","Philosophical Magazine, Serie 8(1956-)","1959","4","","815","825","","","","","","","","","","","","","","","","","","","","","","has coordinates","144397","2020-10-21","18:00:00",""
"1523816","3.1918","","3.1918","","5.1319","","90","","90","","120","","45.277","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Li0.184 Mg0.816)","","- Li0.184 Mg0.816 -","- Li0.184 Mg0.816 -","- Li0.368 Mg1.632 -","2","0.0833333","","Herbstein, F.H.; Averbach, B.L.","The structure of lithium-magnesium solid solutions. I. Measurements on the Bragg reflections","Acta Metallurgica","1956","4","","407","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","144439","2020-10-21","18:00:00",""
"1523817","3.517","","3.517","","3.517","","90","","90","","90","","43.503","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Li0.3 Mg0.7)","","- Li0.3 Mg0.7 -","- Li0.3 Mg0.7 -","- Li0.6 Mg1.4 -","2","0.0208333","","Herbstein, F.H.; Averbach, B.L.","The structure of lithium-magnesium solid solutions","Acta Metallurgica","1956","4","","407","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","144440","2020-10-21","18:00:00",""
"1523818","4.378","","4.378","","4.378","","90","","90","","90","","83.913","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Li0.81 Mg0.19)","","- Li0.81 Mg0.19 -","- Li0.81 Mg0.19 -","- Li3.24 Mg0.76 -","4","0.0208333","","Herbstein, F.H.; Averbach, B.L.","The structure of lithium-magnesium solid solutions. I. Measurements on the Bragg reflections","Acta Metallurgica","1956","4","","407","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","144441","2020-10-21","18:00:00",""
"1523919","4.835","","4.835","","4.535","","90","","90","","120","","91.812","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","Re1.16 O3","","- O3 Re1.13 -","- O3 Re1.13 -","- O6 Re2.26 -","2","0.166667","","Jeitschko, W.; Sleight, A.W.","The rhenium-oxygen system at high pressure: Structure and characterization of a new rhenium oxide","Journal of Solid State Chemistry","1972","4","","324","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","144543","2020-10-21","18:00:00",""
"1523929","7.0352","","11.192","","6.4734","","90","","90","","90","","509.702","","","","","","","","","","","","","3","I m a 2","I 2 -2a","46","","Ru Ti Si","","- Ru Si Ti -","- Ru Si Ti -","- Ru12 Si12 Ti12 -","12","1.5","","Johnson, V.; Jeitschko, W.","Ternary equiatomic transition metal silicides and germanides","Journal of Solid State Chemistry","1972","4","","123","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524010","7.055","","7.055","","25.64","","90","","90","","90","","1276.18","","","","","","","","","","","","","3","P 41","P 4w","76","","Sr2 (V2 O7)","","- O7 Sr2 V2 -","- O7 Sr2 V2 -","- O56 Sr16 V16 -","8","2","","Baglio, J.A.; Dann, J.N.","The crystal structure of beta strontium pyrovanadate","Journal of Solid State Chemistry","1972","4","","87","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1524276","2.936","","2.936","","2.936","","90","","90","","90","","25.309","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Cr0.7 Mo0.3 -","- Cr0.7 Mo0.3 -","- Cr1.4 Mo0.6 -","2","0.0208333","","Dutchak, Ya.I.; Chekh, V.G.","High-temperature X-ray diffraction study of Cr - V and Cr - Mo solid solutions","Metallofizkika","1982","4","","100","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524315","7.425","","7.425","","7.425","","90","","90","","90","","409.345","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Er (Fe0.3 Mn0.7)2","","- Er Fe0.6 Mn1.4 -","- Er Fe0.6 Mn1.4 -","- Er8 Fe4.8 Mn11.2 -","8","0.0416667","","Elliott, R.P.","Laves phases of the rare earths with transition elements","Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.)","1965","4","","215","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524404","7.465","","7.465","","7.465","","90","","90","","90","","415.996","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Er Rh2 -","- Er Rh2 -","- Er8 Rh16 -","8","0.0416667","","Ghassem, H.; Raman, A.","The Er - Rh system","Metallurgical Transactions","1973","4","","745","748","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524485","3.2003","","3.2003","","5.2128","","90","","90","","120","","46.236","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(In7 Mg93)0.02","","- In0.144 Mg1.856 -","- In0.144 Mg1.856 -","- In0.144 Mg1.856 -","1","0.0416667","","Hardie, D.; Parkins, R.N.","Lattice spacing relationships in magnesium solid solutions","Philosophical Magazine, Serie 6 (1901-1925)","1959","4","","815","825","","","","","","","","","","","","","","","","","","","","","","has coordinates","145261","2020-10-21","18:00:00",""
"1524500","3.1975","","3.1975","","3.1975","","90","","90","","90","","32.691","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","(Co0.8 Ni0.2) Zr","","- Co0.8 Ni0.2 Zr -","- Co0.8 Ni0.2 Zr -","- Co0.8 Ni0.2 Zr -","1","0.0104167","","Harris, I. R.; Hossain, D.; Barraclough, K. G.","The constitution of the binary equiatomic alloys of Zr with Fe, Co and Ni","Scripta Metallurgica","1970","4","4","305","308","10.1016/0036-9748(70)90126-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524501","3.1963","","3.1963","","3.1963","","90","","90","","90","","32.654","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Co Zr -","- Co Zr -","- Co Zr -","1","0.0104167","","Harris, I. R.; Hossain, D.; Barraclough, K. G.","The constitution of the binary equiatomic alloys of Zr with Fe, Co and Ni","Scripta Metallurgica","1970","4","4","305","308","10.1016/0036-9748(70)90126-2","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524800","4.269","","4.269","","5.239","","90","","90","","120","","82.686","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cu1.74 In0.96 -","- Cu1.74 In0.96 -","- Cu3.48 In1.92 -","2","0.0833333","","Laves, F.; Wallbaum, H.J.","Ueber einige neue Vertreter des Ni As-Typs und ihre kristallchemische Bedeutung","Zeitschrift fuer Angewandte Mineralogie","1942","4","","17","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524801","4.031","","4.031","","5.022","","90","","90","","120","","70.67","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Fe2 Ge","","- Fe1.715 Ge0.975 -","- Fe1.715 Ge0.975 -","- Fe3.43 Ge1.95 -","2","0.0833333","","Laves, F.; Wallbaum, H.J.","Ueber einige neue Vertereter des NiAs-Typs und ihre kristallchemische Bedeutung","Zeitschrift fuer Angewandte Mineralogie","1942","4","","17","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","145643","2020-10-21","18:00:00",""
"1524853","5.2912","","5.2904","","7.474","","90","","90","","90","","209.216","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Sm (Al O3)","","- Al O3 Sm -","- Al O3 Sm -","- Al4 O12 Sm4 -","4","0.5","","Marezio, M.; Dernier, P.D.; Remeika, J.P.","The crystal structures of orthorhombic Sm Al O3 and of trigonal Nd Al O3","Journal of Solid State Chemistry","1972","4","","11","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524985","3.842","","3.842","","3.842","","90","","90","","90","","56.712","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Dy Ir3 -","- Dy Ir3 -","- Dy Ir3 -","1","0.0208333","","Ning Yuantao; Zhou Xinming; Zheng Yun; Chen Nianyi; Xu Hua; Zhu Jianzhong","The prediction and synthesis of some new intermetallic compounds between transition metals and rare-earth metals","Xiyou Jinshu","1985","4","","31","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524992","5.694","","5.694","","4.806","","90","","90","","120","","134.943","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Mn O3 -","- Ba Mn O3 -","- Ba2 Mn2 O6 -","2","0.0833333","","Norlund Christensen, A.; Ollivier, G.","Hydrothermal and high-pressure preparation of some Ba Mn O3 modifications and low-temperature magnetic properties of Ba Mn O3 (2H)","Journal of Solid State Chemistry","1972","4","","131","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525040","8.164","","20.737","","7.724","","90","","90","","90","","1307.65","","","","","","","","","","","","","6","C m c m","-C 2c 2","63","","(N H3)5 C N Co (Cl O4)2 (H2 O)0.5","","- C H16 Cl2 Co N6 O8.5 -","- C Cl2 Co N6 O8.5 -","- C4 Cl8 Co4 N24 O34 -","4","0.25","","Ozbirn, W.; Jacobson, R.A.","The crystal and molecular structure of the perchlorate and chloride of (N H3)5 (C N Co2)(+)","Inorganica Chimica Acta","1970","4","","377","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525160","6.719","","8.06","","9.254","","96.65","","106.57","","101.6","","462.459","","","","","","","","","","","","Synthetic","3","P -1","-P 1","2","","Fe (V O4)","Ziminaite","- Fe O4 V -","- Fe O4 V -","- Fe6 O24 V6 -","6","3","","Robertson, B.; Kostiner, E.","Crystal structure and Moessbauer effect investigation of Fe V O4","Journal of Solid State Chemistry","1972","4","","29","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:53",""
"1525524","2.9023","","2.9023","","2.9023","","90","","90","","90","","24.447","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Fe0.9 Ir0.1)","","- Fe0.9 Ir0.1 -","- Fe0.9 Ir0.1 -","- Fe1.8 Ir0.2 -","2","0.0208333","","Zwell, L.; Leslie, W.C.; Speich, G.R.","Effects of Co, Cr, Ir, Pt, Re, Rh, and Ru on the lattice parameter and density of alpha-iron","Metallurgical Transactions","1973","4","","1990","1992","","","","","","","","","","","","","","","","","","","","","","has coordinates","146517","2020-10-21","18:00:00",""
"1525597","6.595","","11.423","","6.06","","90","","90","","90","","456.528","","","","","","","","","","","","","2","P n m m :2","-P 2c 2bc","59","","Mo Br3","","- Br3 Mo -","- Br3 Mo -","- Br12 Mo4 -","4","0.5","","Babel, D.","Die Verfeinerung der Mo Br3-Struktur","Journal of Solid State Chemistry","1972","4","","410","416","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526104","7.592","","7.592","","7.626","","90","","90","","90","","439.551","","","","","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","(N H4) H2 (P O4)0.526 (As O4)0.474","","- As0.474 H6 N O4 P0.526 -","- As0.474 H6 N O4 P0.526 -","- As1.896 H24 N4 O16 P2.104 -","4","0.25","","Naili, H.; Mhiri, T.; Daoud, A.","Structural, vibrational and calorimetric study of a new ammonium dihydrogen phosphate-arsenate: N H4 H2 (P O4)0.52 (As O4)0.48","International Journal of Inorganic Materials","2001","4","","393","400","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526126","15.119","","4.58","","15.119","","90","","117.86","","90","","925.57","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","(N H4) (H S O4)","","- H5 N O4 S -","- N O4 S -","- N8 O32 S8 -","8","4","","Nelmes, R.J.","The structure of ammonium hydrogen sulphate in its ferroelectric phase and the ferroelectric transition","Ferroelectrics","1972","4","","133","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526343","4.986","","4.986","","13.762","","90","","90","","120","","296.29","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Cr V O3","","- Cr O3 V -","- Cr O3 V -","- Cr6 O18 V6 -","6","0.166667","","Reid, A.F.; Sabine, T.M.; Wheeler, D.A.","Neutron Diffraction and Other Studies of Magnetic Ordering in Phases Based on Cr2 O3, V2 O3 and Ti2 O3","Journal of Solid State Chemistry","1972","4","","400","409","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526345","4.998","","4.998","","13.909","","90","","90","","120","","300.898","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(V.95 Cr.05)2 O3","","- Cr0.1 O3 V1.9 -","- Cr0.1 O3 V1.9 -","- Cr0.6 O18 V11.4 -","6","0.166667","","Reid, A.F.; Sabine, T.M.; Wheeler, D.A.","Neutron Diffraction and Other Studies of Magnetic Ordering in Phases Based on Cr2 O3, V2 O3 and Ti2 O3","Journal of Solid State Chemistry","1972","4","","400","409","","","","","","","","","","","","","","","","","","","","","","has coordinates","147509","2020-10-21","18:00:00",""
"1526474","13.115","","13.276","","15.024","","107.05","","114.24","","105.02","","2052.97","","","","","","","","","","","","","4","P -1","-P 1","2","","Na8 (H3 Sb Ni W17 O59 (H2 O)) (H2 O)36","","- Ni O60 Sb W17 -","- Ni O60 Sb W17 -","- Ni O60 Sb W17 -","1","0.5","","Jeannin, Y.","Synthese et etude structurale d'un nouvel heteropolytungstate substitue :Na8(H3X(III)M(II)W17O59(H2O))*36(H2 O)(X=Sb(III) ,Bi(III) et M=Mn(2+),Co(2+),Ni(2+),Cu(2+),Zn(2+)) de structure identique a celle de (H2X(III)W18O60)(7-) (X=AS,BI)","C.R. Acad. Sci. Paris, T. 1, Serie II","2001","4","","683","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526568","3.642","","5.653","","5.375","","90","","90","","90","","110.662","","","","","","","","","","","","","3","I m 2 m","I -2 -2","44","","Na (N O2)","","- N Na O2 -","- N Na O2 -","- N2 Na2 O4 -","2","0.25","","Kay, M.I.","The structure of sodium nitrite at 150, 185, 225 C","Ferroelectrics","1972","4","","235","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1526902","7.021","","8.393","","4.94","","90","","109.71","","90","","274.046","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Li Sc (P2 O7)","","- Li O7 P2 Sc -","- Li O7 P2 Sc -","- Li2 O14 P4 Sc2 -","2","1","","Vitins, G.; Kanepe, Z.; Vitins, A.; Dindune, A.; Ronis, J.; Lusis, A.","Structural and conductivity studies in Li Fe P2 O7, Li Sc P2 O7 and Na Sc P2 O7","Journal of Solid State Electrochemistry","2000","4","","146","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527026","24.7499","","24.7499","","24.7499","","90","","90","","90","","15160.7","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Na56 (Al56 Si136 O384)","","- Al56 Na56 O384 Si136 -","- Al56.0064 Na52.72 O384 Si135.994 -","- Al56.0064 Na52.72 O384 Si135.994 -","1","0.00520833","","Yonkeu, A.L.; Buschmann, V.; Miehe, G.; Martens, J.A.; Fuess, H.; Goossens, A.M.","Structural characterization of a new ""core-shell"" zeolite overgrowth system: faujasite on micro-sized EMT crystals","Crystal Engineering","2001","4","","253","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","148314","2020-10-21","18:00:00",""
"1527027","17.4426","","17.4426","","28.446","","90","","90","","120","","7495.05","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Na20 (Al20 Si76 O192)","","- Al20 Na20 O192 Si76 -","- Al19.9968 Na19.08 O192 Si76.0032 -","- Al19.9968 Na19.08 O192 Si76.0032 -","1","0.0416667","","Yonkeu, A.L.; Buschmann, V.; Goossens, A.M.; Miehe, G.; Martens, J.A.; Fuess, H.","Structural characterization of a new ""core-shell"" zeolite overgrowth system: faujasite on micro-sized EMT crystals","Crystal Engineering","2001","4","","253","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","148315","2020-10-21","18:00:00",""
"1527088","7.158","","7.172","","13.025","","90","","90","","105.26","","645.09","","","","","","","","","","","","","3","P 1 1 21","P 2c","4","","Sr2 (P6 O17)","","- O17 P6 Sr2 -","- O17 P6 Sr2 -","- O34 P12 Sr4 -","2","1","","Antsyshkina, A.S.; Porai-Koshits, M.A.; Minacheva, L.Kh.; Ivanova, V.G.; Lavrov, A.V.","Structure of crystals of strontium ultraphosphate Sr2 P6 O17","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","448","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1527122","7.66","","4.22","","15.95","","90","","90","","90","","515.587","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- La2 S3 -","- La2 S3 -","- La8 S12 -","4","0.5","","Basancon, P.; Laruelle, P.; Flahaut, J.; Adolphe, C.","Sur les varietes alpha et beta des sulfures L2 S3 des terres rares","Materials Research Bulletin","1969","4","","227","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527274","3.11","","3.11","","3.11","","90","","90","","90","","30.08","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Tc Ti -","- Tc Ti -","- Tc Ti -","1","0.0208333","","Darby, J.B.jr.; Lam, D.J.; Downey, J.W.; Norton, L.J.","Intermediate phases in binary systems of technetium-99 with several transition elements","Journal of the Less-Common Metals","1962","4","","558","563","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527275","3.025","","3.025","","3.025","","90","","90","","90","","27.681","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Tc V -","- Tc V -","- Tc V -","1","0.0208333","","Darby, J.B.jr.; Lam, D.J.; Norton, L.J.; Downey, J.W.","Intermediate phases in binary systems of technetium-99 with several transition elements","Journal of the Less-Common Metals","1962","4","","558","563","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527276","2.727","","2.727","","4.326","","90","","90","","120","","27.86","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ru Tc -","- Ru Tc -","- Ru Tc -","1","0.0416667","","Darby, J.B.jr.; Lam, D.J.; Norton, L.J.; Downey, J.W.","Intermediate phases in binary systems of technetium with several transition elements","Journal of the Less-Common Metals","1962","4","","558","563","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527277","3.172","","3.172","","3.172","","90","","90","","90","","31.915","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ta Tc -","- Ta Tc -","- Ta Tc -","1","0.0208333","","Darby, J.B.jr.; Norton, L.J.; Lam, D.J.; Downey, J.W.","Intermediate phases in binary systems of technetium-99 with several transition elements","Journal of the Less-Common Metals","1962","4","","558","563","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527394","4.357","","4.357","","4.388","","90","","90","","120","","72.139","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ce (Ga0.7 Sn0.3)2","","- Ce Ga1.4 Sn0.6 -","- Ce Ga1.4 Sn0.6 -","- Ce Ga1.4 Sn0.6 -","1","0.0416667","","Garde, C.S.; Ray, J.; Chandra, G.","Thermoelectric power and resistivity studies in the Kondo-lattice system Ce Ga2 with Sn or Al substitutions and R Ga2 (R= Ho, Dy, Tb) alloys","Journal of Physics: Condensed Matter","1992","4","","4821","4828","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527395","4.18","","4.18","","4.015","","90","","90","","120","","60.753","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ga2 Tb -","- Ga2 Tb -","- Ga2 Tb -","1","0.0416667","","Garde, C.S.; Ray, J.; Chandra, G.","Thermoelectric power and resistivity studies in the Kondo- lattice system Ce Ga2 with Sn of Al substitutions and R Ga2 (R= Ho, Dy, Tb) alloys","Journal of Physics: Condensed Matter","1992","4","","4821","4828","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527487","6.5","","10.842","","5.051","","90","","90","","90","","355.959","","","","","","","","","","","","","4","P 21 n b","P -2bc 2a","33","","Na Cd (P O4)","","- Cd Na O4 P -","- Cd Na O4 P -","- Cd4 Na4 O16 P4 -","4","1","","Hata, M.; Akao, M.; Okada, K.; Iwai, S.I.; Aoki, H.","The crystal structure of Na Cd P O4","Research Laboratory on Engineering Materials, Tokyo Institute of Technology: Report","1979","4","","43","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527597","6.6838","","6.6838","","3.6717","","90","","90","","120","","142.051","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Zr Ru Si","","- Ru Si Zr -","- Ru Si Zr -","- Ru3 Si3 Zr3 -","3","0.25","","Johnson, V.; Jeitschko, W.","Ternary Equiatomic Transition Metal Silicides and Germanides","Journal of Solid State Chemistry","1972","4","","123","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527615","8.46","","11.22","","11.09","","90","","90","","112","","976.024","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Rb Li2 (I O3)3","","- I3 Li2 O9 Rb -","- I3 Li2 O9 Rb -","- I12 Li8 O36 Rb4 -","4","1","","Kalinin, V.P.; Karataeva, I.M.; Vinogradov, E.E.; Vavilin, V.I.; Plyukhin, V.V.; Pakhomov, V.I.","Crystal structure of Rb I O3 (Li I O3)2","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","444","447","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527761","2.99","","2.99","","2.99","","90","","90","","90","","26.731","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ru V -","- Ru V -","- Ru V -","1","0.0208333","","Marezio, M.; Dernier, P.D.; Chu, C.W.","Low-temperature X-ray diffraction studies of near-equiatomic V Ru alloys","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1971","4","","2825","2826","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527860","12.95","","14","","7.414","","90","","90","","90","","1344.16","","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","Sr K (Co (C N)6) (H2 O)2.5","","- C6 H5 Co K N6 O2.5 Sr -","- C6 Co K N6 O2.5 Sr -","- C24 Co4 K4 N24 O10 Sr4 -","4","0.5","","Mys'kiv, M.G.; Kryvlyuk, L.N.; Glovyak, T.; Gladyshevskii, E.I.","Crystal structure of Sr K (Co (C N)6) (H2 O)2.5 and Ca K (Co (C N)6) (H2 O)2.5","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","127","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527861","12.83","","13.62","","7.345","","90","","90","","90","","1283.5","","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","Ca K (Co (C N)6) (H2 O)2.5","","- C6 H5 Ca Co K N6 O2.5 -","- C6 Ca Co K N6 O2.5 -","- C24 Ca4 Co4 K4 N24 O10 -","4","0.5","","Mys'kiv, M.G.; Kryvlyuk, L.N.; Gladyshevskii, E.I.; Glovyak, T.","Crystal structure of Sr K (Co (C N)6) (H2 O)2.5 and Ca K (Co (C N)6) (H2 O)2.5","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","127","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527903","6.9808","","6.9808","","4.0063","","90","","90","","120","","169.077","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Al Rh U -","- Al Rh U -","- Al3 Rh3 U3 -","3","0.25","","Paixao, J.A.; Lander, G.H.; Nakotte, H.; Brown, P.J.; de Boer, F.R.; Brueck, E.","Magnetization density in U Rh Al - evidende for hybridazation effects","Journal of Physics: Condensed Matter","1992","4","","829","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528263","9.875","","9.875","","9.875","","90","","90","","90","","962.967","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","K2 Mg2 (Be F4)3","","- Be3 F12 K2 Mg2 -","- Be3 F12 K2 Mg2 -","- Be12 F48 K8 Mg8 -","4","0.333333","","le Fur, Y.; Aleonard, S.","Etude d'orthofluoroberyllates Me(I)2 Me(II)2 (Be F4)3 de structure Langbeinite","Materials Research Bulletin","1969","4","","601","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","150258","2020-10-21","18:00:00",""
"1528264","9.932","","9.932","","9.932","","90","","90","","90","","979.738","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","K2 Zn2 (Be F4)3","","- Be3 F12 K2 Zn2 -","- Be3 F12 K2 Zn2 -","- Be12 F48 K8 Zn8 -","4","0.333333","","le Fur, Y.; Aleonard, S.","Etude d'orthofluoroberyllates Me(I)2 Me(II)2 (Be F4)3 de structure Langbeinite","Materials Research Bulletin","1969","4","","601","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","150259","2020-10-21","18:00:00",""
"1528265","10.385","","10.385","","10.385","","90","","90","","90","","1120","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Rb2 Cd2 (Be F4)3","","- Be3 Cd2 F12 Rb2 -","- Be3 Cd2 F12 Rb2 -","- Be12 Cd8 F48 Rb8 -","4","0.333333","","le Fur, Y.; Aleonard, S.","Etude d'orthofluoroberyllates Me(I)2 Me(II)2 (Be F4)3 de structure Langbeinite","Materials Research Bulletin","1969","4","","601","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","150260","2020-10-21","18:00:00",""
"1528266","10.672","","10.672","","10.672","","90","","90","","90","","1215.45","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Cs2 Ca2 (Be F4)3","","- Be3 Ca2 Cs2 F12 -","- Be3 Ca2 Cs2 F12 -","- Be12 Ca8 Cs8 F48 -","4","0.333333","","le Fur, Y.; Aleonard, S.","Etude d'orthofluoroberyllates Me(I)2 Me(II)2 (Be F4)3 de structure Langbeinite","Materials Research Bulletin","1969","4","","601","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","150261","2020-10-21","18:00:00",""
"1528732","5.76","","5.76","","4.64","","90","","90","","120","","133.319","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","K2 Pt F6","","- F6 K2 Pt -","- F6 K2 Pt -","- F6 K2 Pt -","1","0.0833333","","Mellor, D.P.; Stephenson, N.C.","The Crystal Structure of Potassium Hexafluoroplatinate(IV)","Australian Journal of Scientific Research, Series A: Physical Sciences","1951","4","","406","411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529569","21.58","","12.28","","12.25","","92.08","","96.28","","91.24","","3223.6","","","","","","","","","","","","","5","P -1","-P 1","2","","((Cl3 P O)6 Nd (O2 P Cl2)2 Sn Cl4) Sn Cl5 (P O Cl3)2","","- Cl37 Nd O12 P10 Sn2 -","- Cl37 Nd O12 P10 Sn2 -","- Cl74 Nd2 O24 P20 Sn4 -","2","1","","Aslanov, L.A.; Ionov, V.M.; Rybakov, V.B.; Lebedev, V.G.; Kulikovskii, B.N.; Gilyarov, O.N.; Novoderezhkina, T.L.","Crystal structure of ((Cl3 P O)6 Nd (mue-O2 P Cl2)2 - Sn Cl4) Sn Cl5 (P O Cl3)2 isolated from a Nd Cl3 O P Cl3-Sn Cl4 laser liquid","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","113","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529716","9.427","","9.427","","9.427","","94.02","","94.02","","94.02","","831.272","","","","","","","","","","","","","5","R -3 m :R","-P 3* 2","166","","Co1.9 (Al4 Si8 O24) (H2 O)5.8","","- Al4 Co1.9 H11.6 O29.8 Si8 -","- Al3.996 Co1.88 O29.79 Si8.004 -","- Al3.996 Co1.88 O29.79 Si8.004 -","1","0.0833333","","Calligaris, M.; Randaccio, L.; Nardin, G.","Crystal structures of hydrated and dehydrated forms of a Co(II)-exchanged chabazite","Zeolites","1984","4","","251","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529717","9.351","","9.351","","9.351","","92.56","","92.56","","92.56","","815.139","","","","","","","","","","","","","5","R -3 m :R","-P 3* 2","166","","Co1.67 Na0.21 (Al4 Si8 O24)","","- Al4 Co1.67 Na0.21 O24 Si8 -","- Al3.996 Co1.67 Na0.21 O24 Si8.004 -","- Al3.996 Co1.67 Na0.21 O24 Si8.004 -","1","0.0833333","","Calligaris, M.; Nardin, G.; Randaccio, L.","Crystal structures of hydrated and dehydrated forms of a Co(II)-exchanged chabazite","Zeolites","1984","4","","251","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529727","13.822","","13.822","","15.155","","90","","90","","120","","2507.43","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Na14.4 (Si24.9 Al11.1 O72) (H2 O)39","","- Al11.1 H78 Na14.4 O111 Si24.9 -","- Al10.8 Na14.4 O110.88 Si25.2 -","- Al10.8 Na14.4 O110.88 Si25.2 -","1","0.0277778","","Cartlidge, S.; Meier, W.M.","Solid state transformations of synthetic CHA and EAB-type zeolites in the sodium form","Zeolites","1984","4","","218","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529728","12.87","","13.51","","15.45","","90","","142.5","","90","","1635.34","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Na12.8 (Al7.2 Si16.8 O48) (H2 O)6.84","","- Al7.2 H13.68 Na12.8 O54.84 Si16.8 -","- Al7.2 Na12.8 O54.84 Si16.8 -","- Al7.2 Na12.8 O54.84 Si16.8 -","1","0.125","","Cartlidge, S.; Meier, W.M.","Solid state transformations of synthetic CHA and EAB-type zeolites in the sodium form","Zeolites","1984","4","","218","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529729","13.12","","13.57","","15.81","","90","","143","","90","","1693.98","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Na9.52 (Al7.2 Si16.8 O48) (H2 O)5.88","","- Al7.2 H11.76 Na9.52 O53.88 Si16.8 -","- Al7.2 Na9.52 O53.88 Si16.8 -","- Al7.2 Na9.52 O53.88 Si16.8 -","1","0.125","","Cartlidge, S.; Meier, W.M.","Solid state transformations of synthetic CHA and EAB-type zeolites in the sodium form","Zeolites","1984","4","","218","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529730","8.93","","8.93","","8.93","","90","","90","","90","","712.122","","","","","","","","","","","","","5","P -4 3 m","P -4 2 3","215","","Na3.68 (Al3.6 Si8.4 O24) (H2 O)1.2","","- Al3.6 H2.4 Na3.68 O25.2 Si8.4 -","- Al3.6 Na3.68 O25.2 Si8.4 -","- Al3.6 Na3.68 O25.2 Si8.4 -","1","0.0416667","","Cartlidge, S.; Meier, W.M.","Solid state transformations of synthetic CHA and EAB-type zeolites in the sodium form","Zeolites","1984","4","","218","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529731","13.06","","13.06","","15.61","","90","","90","","120","","2305.79","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Na7.96 (Al10.8 Si25.2 O72)","","- Al10.8 Na7.96 O72 Si25.2 -","- Al10.8 Na7.96 O72 Si25.2 -","- Al10.8 Na7.96 O72 Si25.2 -","1","0.0416667","","Cartlidge, S.; Meier, W.M.","Solid state transformations of synthetic CHA and EAB-type zeolites in the sodium form","Zeolites","1984","4","","218","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","154338","2020-10-21","18:00:00",""
"1529732","13.41","","13.41","","15.35","","90","","90","","120","","2390.54","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","K11.08 (Si25.2 Al10.8 O72) (H2 O)8.1","","- Al10.8 H16.2 K11.08 O80.1 Si25.2 -","- Al10.8 K11.08 O80.1 Si25.2 -","- Al10.8 K11.08 O80.1 Si25.2 -","1","0.0833333","","Cartlidge, S.; Keller, E.B.; Meier, W.M.","Role of potassium in the thermal stability of CHA- and EAB-type zeolites","Zeolites","1984","4","","226","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529733","13.07","","13.07","","15.1","","90","","90","","120","","2233.87","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","K9.08 Al10.8 Si25.2 O72","","- Al10.8 K9.08 O72 Si25.2 -","- Al10.8 K9.08 O72 Si25.2 -","- Al10.8 K9.08 O72 Si25.2 -","1","0.0416667","","Cartlidge, S.; Keller, E.B.; Meier, W.M.","Role of potassium in the thermal stability of CHA- and EAB-type zeolites","Zeolites","1984","4","","226","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","154340","2020-10-21","18:00:00",""
"1530383","14.982","","14.982","","14.982","","90","","90","","90","","3362.86","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","H (Al Si3 O8)","","- Al H O8 Si3 -","- Al O8 Si3 -","- Al12 O96 Si36 -","12","0.125","","McCusker, L.B.","Crystal structures of the ammonium and hydrogen forms of zeolite rho","Zeolites","1984","4","","51","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530443","24.66","","24.66","","24.66","","90","","90","","90","","14996.1","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Na27 (Al57 Si135 O384) (H2 O)24","","- Al57 H48 Na27 O408 Si135 -","- Al57.0048 Na26.88 O408.64 Si134.995 -","- Al57.0048 Na26.88 O408.64 Si134.995 -","1","0.00520833","","Mortier, W.J.; van den Bossche, E.; Uytterhoeven, J.B.","Influence of the temperature and water adsorption on the cation location in Na-Y zeolites","Zeolites","1984","4","","41","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530444","24.872","","24.872","","24.872","","90","","90","","90","","15386.2","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Na57 Al57 Si135 O384 (H2 O)6.4","","- Al57.0048 Na46.4 O390.4 Si134.995 -","- Al57.0048 Na46.4 O390.4 Si134.995 -","- Al57.0048 Na46.4 O390.4 Si134.995 -","1","0.00520833","","Mortier, W.J.; Uytterhoeven, J.B.; van den Bossche, E.","Influence of the temperature and water adsorption on the cation location in Na-Y zeolites","Zeolites","1984","4","","41","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","155550","2020-10-21","18:00:00",""
"1530445","24.786","","24.786","","24.786","","90","","90","","90","","15227.2","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Na57 Al57 Si135 O384","","- Al57.0048 Na50.24 O384 Si134.995 -","- Al57.0048 Na50.24 O384 Si134.995 -","- Al57.0048 Na50.24 O384 Si134.995 -","1","0.00520833","","Mortier, W.J.; Uytterhoeven, J.B.; van den Bossche, E.","Influence of the temperature and water adsorption on the cation location in Na-Y zeolites","Zeolites","1984","4","","41","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","155551","2020-10-21","18:00:00",""
"1530521","15.715","","8.896","","7.514","","90","","90","","56.506","","876.026","","","","","","","","","","","","","5","B 1 1 2/m","-B 2","12","","Mn (Zr F6) (H2 O)5","","- F6 H10 Mn O5 Zr -","- F6 Mn O5 Zr -","- F24 Mn4 O20 Zr4 -","4","0.5","","Otroshchenko, L.P.; Davidovich, R.L.; Simonov, V.I.","Crystal structure of manganese hexafluorozirconate pentahydrate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","1416","1419","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530528","10.237","","7.918","","13.882","","90","","90","","90","","1125.23","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 (Hg Br4)","","- Br4 Cs2 Hg -","- Br4 Cs2 Hg -","- Br16 Cs8 Hg4 -","4","0.5","","Pakhomov, V.I.; Fedorova, N.M.; Ivanova-Korfini, I.N.","Structure of the (Hg Br4)2- ion in the Cs2 Hg Br4 crystal","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","1765","1766","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530542","7.032","","8.705","","9.051","","90","","90","","100","","545.627","","","","","","","","","","","","","4","P 1 1 21","P 2c","4","","Cs Tb (P O3)4","","- Cs O12 P4 Tb -","- Cs O12 P4 Tb -","- Cs2 O24 P8 Tb2 -","2","1","","Palkina, K.; Chibiskova, N.T.; Kuznetsova, V.G.; Maksimova, S.I.","Crystal structure of the compound Cs Tb (P O3)4","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","1092","1095","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530608","7.771","","12.795","","9.219","","90","","95.93","","90","","911.74","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K2 (Pt (N O2)4)","","- K2 N4 O8 Pt -","- K2 N4 O8 Pt -","- K8 N16 O32 Pt4 -","4","1","","Porai-Koshits, M.A.; Kukina, G.A.; Nikolaev, V.P.","Crystal structure of potassium tetranitroplatinate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","1435","1440","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530734","9.895","","10.148","","11.544","","90","","90","","90","","1159.19","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Al Cl3 (N H3)","","- Al Cl3 H3 N -","- Al Cl3 H3 N -","- Al8 Cl24 H24 N8 -","8","1","","Semenenko, K.N.; Lobkovskii, E.B.; Kravchenko, O.V.; Polyakova, V.B.; Korobov, I.I.","Structure and vibrational spectra of aluminium chloride monoammoniate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","1649","1652","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530752","7.26","","7.26","","4.79","","90","","90","","120","","218.645","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","Co I2 (H2 O)6","","- Co H12 I2 O6 -","- Co I2 O6 -","- Co I2 O6 -","1","0.0833333","","Shchukarev, S.A.; Stroganov, E.V.; Andreev, S.N.; Purvinskij, O.F.","Investigation of crystal structure of crystallohydrates of transition metal salts. structure Co I26 (H2 O)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1963","4","","63","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530901","3.413","","3.413","","5.717","","90","","90","","120","","57.673","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Ti1.083 S2","","- S2 Ti1.083 -","- S2 Ti1.083 -","- S2 Ti1.083 -","1","0.0833333","","Tronc, E.; Moret, R.","Structure refinement of nonstoichiometric Ti S2 (Ti1.083 S2)","Synthetic metals","1981","4","","113","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","156134","2020-10-21","18:00:00",""
"1530920","15.58","","17.37","","7.46","","90","","90","","123.35","","1686.41","","","","","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","(N H4)2 Sb Cl3 F2","","- Cl3 F2 H8 N2 Sb -","- Cl3 F2 H8 N2 Sb -","- Cl24 F16 H64 N16 Sb8 -","8","2","","Udovenko, A.A.; Volkova, L.M.; Davidovich, R.L.","Crystal structure of (N H4)2 Sb Cl3 F2 and Rb2 Sb Cl3 F2","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","305","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1530921","13.12","","7.53","","7.55","","59.1","","83.6","","78.4","","626.921","","","","","","","","","","","","","4","P -1","-P 1","2","","Rb2 Sb Cl3 F2","","- Cl3 F2 Rb2 Sb -","- Cl3 F2 Rb2 Sb -","- Cl9 F6 Rb6 Sb3 -","3","1.5","","Udovenko, A.A.; Volkova, L.M.; Davidovich, R.L.","Crystal structure of (N H4)2 Sb Cl3 F2 and Rb2 Sb Cl3 F2","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","305","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531113","3.95015","","3.95015","","19.6283","","90","","90","","120","","265.241","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Nd O F","","- F Nd O -","- F Nd O -","- F6 Nd6 O6 -","6","0.166667","","Beaury, L.; Derouet, J.; Holsa, J.; Lastusaari, M.; Rodriguez-Carvajal, J.","Neutron powder diffraction studies of stoichiometric Nd O F between1.5 and 300 K","Solid State Sciences","2002","4","","1039","1043","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531115","7.1748","","5.2639","","5.1022","","98.015","","108.854","","107.035","","168.42","","","","","","","","","","","","","6","P -1","-P 1","2","","Li Ga (P O4) F0.74 (O H)0.26","","- F0.74 Ga H0.26 Li O4.26 P -","- F0.74 Ga Li O4.26 P -","- F1.48 Ga2 Li2 O8.52 P2 -","2","1","","Beitone, L.; Ferey, G.; Guillou, N.; Loiseau, T.; Millange, F.","Structural characterizations of lithium gallium phosphates, analogous to the amblygonite-montebrasite series","Solid State Sciences","2002","4","","1061","1065","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531184","10.233","","10.233","","10.233","","90","","90","","90","","1071.54","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Nd1.68 Ti2 O6.52","","- Nd1.68 O6.52 Ti2 -","- Nd1.68 O6.52 Ti2 -","- Nd13.44 O52.16 Ti16 -","8","0.0416667","","Chu, M.-W.; Ganne, M.; Caldes, M.; Joubert, O.; Piffard, Y.; Brohan, L.","Synthesis and structural characterization of the new defect pyrochlore Nd1.68 Ti2 O6.52","Solid State Sciences","2002","4","","167","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","156534","2020-10-21","18:00:00",""
"1531192","14.343","","10.196","","5.9075","","90","","90","","90","","863.92","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Mg28 Ge7.55 O32 F15.04","","- F15.04 Ge7.55 Mg28 O32 -","- F15.04 Ge7.552 Mg28 O32 -","- F15.04 Ge7.552 Mg28 O32 -","1","0.125","","Bless, P.W.; von Dreele, R.B.; Kostiner, E.; Hughes, R.E.","Anion and Cation Defect in Magnesium Fluorogermanate","Journal of Solid State Chemistry","1972","4","","262","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","156543","2020-10-21","18:00:00",""
"1531239","12.049","","12.624","","6.507","","90","","114.559","","90","","900.218","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Na2 (Fe Mn2 (P O4)3)","","- Fe Mn2 Na2 O12 P3 -","- Fe Mn2 Na2 O12 P3 -","- Fe4 Mn8 Na8 O48 P12 -","4","0.5","","Daidouh, A.; Veiga, M.L.; Durio, C.; Ouassini, A.; Chouaibi, N.; Pico, C.","Structural and electrical study of the alluaudites (Ag1-x Nax)2 Fe Mn2 (P O4)3 (x = 0, 0.5 and 1)","Solid State Sciences","2002","4","","541","548","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531287","6.635","","11.529","","11.7581","","90","","92.02","","90","","898.876","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","H Sm (P2 O7) (H2 O)4","","- H9 O11 P2 Sm -","- H9 O11 P2 Sm -","- H36 O44 P8 Sm4 -","4","1","","Chehimi-Moumen, F.; Ferid, M.; Ben Hassen-Chehimi, D.; Trabelsi-Ayadi, M.","Synthesis and single crystal structure of H Sm P2 O7 * 4(H2 O)","Solid State Sciences","2002","4","","979","983","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531325","13.6453","","5.0716","","10.6005","","90","","95.918","","90","","729.682","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","((H2 N) C O (N H) C (N H2)2) Zn (P O4)","","- C2 H7 N4 O5 P Zn -","- C2 H7 N4 O5 P Zn -","- C8 H28 N16 O20 P4 Zn4 -","4","1","","Harrison, W.T.A.; Rodgers, J.A.; Phillips, M.L.F.; Nenoff, T.M.","In situ template generation for zincophosphate synthesis leading to guanylurea zinc phosphate, C2 H7 N4 O * (Zn P O4)","Solid State Sciences","2002","4","","969","972","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531340","12.4577","","12.4577","","3.94036","","90","","90","","90","","611.521","","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","Sr2 K Nb5 O15","","- K Nb5 O15 Sr2 -","- K Nb5 O15 Sr2 -","- K2 Nb10 O30 Sr4 -","2","0.25","","El Belghiti, A.A.; Elaatmani, M.; Gravereau, P.; Simon, A.; Villesuzanne, A.; Ravez, J.","Ferroelectric and crystallographic properties of the Sr2-x K1+x Nb5 O15-x Fx solid solution","Solid State Sciences","2002","4","","933","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531343","12.4936","","12.4936","","3.9404","","90","","90","","90","","615.057","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Sr (Sr0.75 K1.25) Nb5 (O14.75 F0.25)","","- F0.25 K1.25 Nb5 O14.75 Sr1.75 -","- F0.2505 K1.25 Nb5 O14.7495 Sr1.75 -","- F0.501 K2.5 Nb10 O29.499 Sr3.5 -","2","0.125","","El Belghiti, A.A.; Simon, A.; Gravereau, P.; Villesuzanne, A.; Elaatmani, M.; Ravez, J.","Ferroelectric and crystallographic properties of the Sr2-x K1+x Nb5O15-x Fx solid solution","Solid State Sciences","2002","4","","933","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","156779","2020-10-21","18:00:00",""
"1531346","12.5657","","12.5657","","3.954","","90","","90","","90","","624.324","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Sr K2 Nb5 O14 F","","- F K2 Nb5 O14 Sr -","- F1.0005 K2 Nb5 O13.9995 Sr -","- F2.001 K4 Nb10 O27.999 Sr2 -","2","0.125","","El Belghiti, A.A.; Simon, A.; Gravereau, P.; Villesuzanne, A.; Ravez, J.; Elaatmani, M.","Ferroelectric and crystallographic properties of the Sr2-x K1+x Nb5O15-x Fx solid solution","Solid State Sciences","2002","4","","933","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531360","19.66","","11.037","","19.352","","90","","121.21","","90","","3591.42","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C60 F18 -","- C60 F18 -","- C240 F72 -","4","1","","Goldt, I.V.; Boltalina, O.V.; Kemnitz, E.; Sidorov, L.N.; Troyanov, S.I.","Preparation and crystal structure of solvent free C60 F18","Solid State Sciences","2002","4","","1395","1401","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531374","4.7685","","4.7685","","9.3173","","90","","90","","90","","211.862","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Mn (Ta2 O6)","","- Mn O6 Ta2 -","- Mn O6 Ta2 -","- Mn2 O12 Ta4 -","2","0.125","","Esmaeilzadeh, S.; Grins, J.","Meta-stable phases in the Mn - Ta - O system","Solid State Sciences","2002","4","","117","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531375","4.7565","","5.7281","","5.1358","","90","","90.355","","90","","139.926","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","(Mn0.333 Ta0.667)2 O4","","- Mn0.666 O4 Ta1.334 -","- Mn0.666 O4 Ta1.334 -","- Mn1.332 O8 Ta2.668 -","2","0.5","","Esmaeilzadeh, S.; Grins, J.","Meta-stable phases in the Mn - Ta - O system","Solid State Sciences","2002","4","","117","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","156828","2020-10-21","18:00:00",""
"1531376","5.4308","","5.4308","","14.1194","","90","","90","","120","","360.64","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Mn4 (Ta2 O9)","","- Mn4 O9 Ta2 -","- Mn3.999 O9 Ta2.001 -","- Mn7.998 O18 Ta4.002 -","2","0.111111","","Esmaeilzadeh, S.; Grins, J.","Meta-stable phases in the Mn - Ta - O system","Solid State Sciences","2002","4","","117","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","156831","2020-10-21","18:00:00",""
"1531389","7.966","","8.0084","","10.2095","","90.185","","95.193","","89.933","","648.637","","","","","","","","","","","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","La5 Re3 Mn O16","","- La5 Mn O16 Re3 -","- La5 Mn O16 Re3 -","- La10 Mn2 O32 Re6 -","2","","","Green, A.E.C.; Wiebe, C.R.; Greedan, J.E.","Magnetism and the magnetic structure of the pillared perovskite, La5 Re3 Mn O16","Solid State Sciences","2002","4","","305","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531404","5.754","","5.754","","11.475","","90","","90","","120","","329.021","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Pb3 Mn5 V2 O16","","- Mn5 O16 Pb3 V2 -","- Mn5 O16 Pb3 V2 -","- Mn5 O16 Pb3 V2 -","1","0.0833333","","Henry, N.; Abraham, F.; Burylo-Dhuime, L.; Mentre, O.","Pb3 Mn5 V2 O16: a new lead manganese vanadate with double Mn(II)/Mn(IV) valence","Solid State Sciences","2002","4","","1023","1029","","","","","","","","","","","","","","","","","","","","","","has coordinates","156870","2020-10-21","18:00:00",""
"1531430","17.3607","","9.1351","","18.63","","90","","98.13","","90","","2924.87","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(H3 O)2 (Cl8 (Mo Cl)6) (H2 O)7","","- Cl14 H20 Mo6 O9 -","- Cl14 H20 Mo6 O9 -","- Cl56 H80 Mo24 O36 -","4","0.5","","Flemstroem, A.; Hirsch, T.K.; Sehlstedt, L.; Lidin, S.; Ojamaee, L.","Effects from hydrogen bonds on water structure in (H3 O)2 (Mo6 Cl8 X6) * y(H2 O) : X = Cl(y=7), Br(y=6) or I(y=6)","Solid State Sciences","2002","4","","1017","1022","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531433","17.4295","","9.3803","","9.3769","","90","","101.04","","90","","1504.69","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(H3 O)2 (Cl8 (Mo Br)6) (H2 O)6","","- Br6 Cl8 H18 Mo6 O8 -","- Br6 Cl8 H18 Mo6 O8 -","- Br12 Cl16 H36 Mo12 O16 -","2","0.5","","Flemstroem, A.; Hirsch, T.K.; Ojamaee, L.; Lidin, S.; Sehlstedt, L.","Effects from hydrogen bonds on water structure in (H3 O)2 (Mo6 Cl8 X6) * y(H2 O) : X = Cl(y=7), Br(y=6) or I(y=6)","Solid State Sciences","2002","4","","1017","1022","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531434","18.0083","","9.7612","","9.8139","","90","","100.2","","90","","1697.85","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(H3 O)2 (Cl8 (Mo I)6) (H2 O)6","","- Cl8 H18 I6 Mo6 O8 -","- Cl8 H18 I6 Mo6 O8 -","- Cl16 H36 I12 Mo12 O16 -","2","0.5","","Flemstroem, A.; Hirsch, T.K.; Sehlstedt, L.; Lidin, S.; Ojamaee, L.","Effects from hydrogen bonds on water structure in (H3 O)2 (Mo6 Cl8 X6) * y(H2 O) : X = Cl(y=7), Br(y=6) or I(y=6)","Solid State Sciences","2002","4","","1017","1022","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531437","6.172","","6.172","","11.482","","90","","90","","120","","378.791","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Y2 (Cu Ti O6)","","- Cu O6 Ti Y2 -","- Cu O6 Ti Y2 -","- Cu3 O18 Ti3 Y6 -","3","0.25","","Floros, N.; Rijssenbeek, J.T.; Martinson, A.B.; Poeppelmeier, K.R.","Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds","Solid State Sciences","2002","4","","1495","1498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531439","6.252","","6.252","","11.422","","90","","90","","120","","386.644","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Tb2 (Cu Ti O6)","","- Cu O6 Tb2 Ti -","- Cu O6 Tb2 Ti -","- Cu3 O18 Tb6 Ti3 -","3","0.25","","Floros, N.; Rijssenbeek, J.T.; Poeppelmeier, K.R.; Martinson, A.B.","Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds","Solid State Sciences","2002","4","","1495","1498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531442","6.214","","6.214","","11.483","","90","","90","","120","","383.998","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Dy2 (Cu Ti O6)","","- Cu Dy2 O6 Ti -","- Cu Dy2 O6 Ti -","- Cu3 Dy6 O18 Ti3 -","3","0.25","","Floros, N.; Martinson, A.B.; Rijssenbeek, J.T.; Poeppelmeier, K.R.","Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds","Solid State Sciences","2002","4","","1495","1498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531445","6.18","","6.18","","11.499","","90","","90","","120","","380.336","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Ho2 (Cu Ti O6)","","- Cu Ho2 O6 Ti -","- Cu Ho2 O6 Ti -","- Cu3 Ho6 O18 Ti3 -","3","0.25","","Floros, N.; Rijssenbeek, J.T.; Martinson, A.B.; Poeppelmeier, K.R.","Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds","Solid State Sciences","2002","4","","1495","1498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531447","6.144","","6.144","","11.506","","90","","90","","120","","376.147","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Er2 (Cu Ti O6)","","- Cu Er2 O6 Ti -","- Cu Er2 O6 Ti -","- Cu3 Er6 O18 Ti3 -","3","0.25","","Floros, N.; Poeppelmeier, K.R.; Rijssenbeek, J.T.; Martinson, A.B.","Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds","Solid State Sciences","2002","4","","1495","1498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531450","6.113","","6.113","","11.504","","90","","90","","120","","372.296","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Tm2 (Cu Ti O6)","","- Cu O6 Ti Tm2 -","- Cu O6 Ti Tm2 -","- Cu3 O18 Ti3 Tm6 -","3","0.25","","Floros, N.; Rijssenbeek, J.T.; Martinson, A.B.; Poeppelmeier, K.R.","Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds","Solid State Sciences","2002","4","","1495","1498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531453","6.095","","6.095","","11.515","","90","","90","","120","","370.461","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Yb2 (Cu Ti O6)","","- Cu O6 Ti Yb2 -","- Cu O6 Ti Yb2 -","- Cu3 O18 Ti3 Yb6 -","3","0.25","","Floros, N.; Rijssenbeek, J.T.; Martinson, A.B.; Poeppelmeier, K.R.","Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds","Solid State Sciences","2002","4","","1495","1498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531456","6.057","","6.057","","11.516","","90","","90","","120","","365.887","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Lu2 (Cu Ti O6)","","- Cu Lu2 O6 Ti -","- Cu Lu2 O6 Ti -","- Cu3 Lu6 O18 Ti3 -","3","0.25","","Floros, N.; Martinson, A.B.; Rijssenbeek, J.T.; Poeppelmeier, K.R.","Structural study of A2 Cu Ti O6 (A = Y, Tb-Lu) compounds","Solid State Sciences","2002","4","","1495","1498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531542","7.5238","","8.755","","9.055","","62.486","","83.998","","88.692","","525.88","","","","","","","","","","","","","5","P -1","-P 1","2","","Na3 (V Si4 O11) (H2 O)","","- H2 Na3 O12 Si4 V -","- H2 Na3 O12 Si4 V -","- H4 Na6 O24 Si8 V2 -","2","1","","Huang, J.; Wang, X.-Q.; Liu, L.-M.; Jacobson, A.J.","Synthesis and characterization of an open framework vanadium silicate (VSH-16Na)","Solid State Sciences","2002","4","","1193","1198","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531557","7.1924","","10.6039","","9.8049","","90","","120.248","","90","","645.986","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Na2 (Si3 O7)","","- Na2 O7 Si3 -","- Na2 O7 Si3 -","- Na8 O28 Si12 -","4","1","","Kahlenberg, V.; Patarin, J.; Marler, B.; Munoz Acevedo, J.C.","Ab initio crystal structure determination of Na2 Si3 O7 from conventional powder diffraction data","Solid State Sciences","2002","4","","1285","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","157048","2020-10-21","18:00:00",""
"1531559","34.3163","","7.8918","","15.9558","","90","","90","","90","","4321.11","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Sr10 Ga6 O19","","- Ga6 O19 Sr10 -","- Ga6 O19 Sr10 -","- Ga48 O152 Sr80 -","8","1","","Kahlenberg, V.","beta-(Sr10 Ga6 O19): an oxygen deficient perovskite containing (Ga6 O19)-polyanions","Solid State Sciences","2002","4","","183","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","157051","2020-10-21","18:00:00",""
"1531562","5.3925","","5.3925","","8.9739","","90","","90","","120","","225.992","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Ba (Ga2 O4)","","- Ba Ga2 O4 -","- Ba Ga2 O3.999 -","- Ba2 Ga4 O7.998 -","2","0.166667","","Kahlenberg, V.; Weidenthaler, C.","High-temperature single crystal diffraction study on monobarium gallate - the crystal structure of beta-(Ba Ga2 O4)","Solid State Sciences","2002","4","","963","968","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531583","2.819","","2.819","","11.2727","","90","","90","","120","","77.58","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cu Al O2","","- Al Cu O2 -","- Al Cu O2 -","- Al2 Cu2 O4 -","2","0.0833333","","Kandpal, H.C.; Seshadri, R.","First-principles electronic structure of the delafossites A B O2 (A = Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions","Solid State Sciences","2002","4","","1045","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531586","2.8869","","2.8869","","12.3626","","90","","90","","120","","89.229","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Au Al O2","","- Al Au O2 -","- Al Au O2 -","- Al2 Au2 O4 -","2","0.0833333","","Kandpal, H.C.; Seshadri, R.","First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions","Solid State Sciences","2002","4","","1045","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531589","3.011","","3.011","","11.4409","","90","","90","","120","","89.828","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Cu Ga O2 -","- Cu Ga O2 -","- Cu2 Ga2 O4 -","2","0.0833333","","Kandpal, H.C.; Seshadri, R.","First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions","Solid State Sciences","2002","4","","1045","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531592","3.2365","","3.2365","","11.3674","","90","","90","","120","","103.12","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cu Sc O2","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Kandpal, H.C.; Seshadri, R.","First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions","Solid State Sciences","2002","4","","1045","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531594","3.3831","","3.3831","","11.5505","","90","","90","","120","","114.488","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Cu In O2 -","- Cu In O2 -","- Cu2 In2 O4 -","2","0.0833333","","Kandpal, H.C.; Seshadri, R.","First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions","Solid State Sciences","2002","4","","1045","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531595","5.554","","7.8809","","5.544","","90","","90","","90","","242.664","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Na0.78 Sr0.19) (Ta O3)","","- Na0.78 O3 Sr0.19 Ta -","- Na0.776 O3 Sr0.194 Ta -","- Na3.104 O12 Sr0.776 Ta4 -","4","0.5","","Istomin, S.Ya.; Svensson, G.; Koehler, J.","A neutron powder diffraction study of Na1-x Srx Ta O3 (x = 0.2 and 0.3)","Solid State Sciences","2002","4","","191","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531596","3.5387","","3.5387","","11.403","","90","","90","","120","","123.662","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cu Y O2","","- Cu O2 Y -","- Cu O2 Y -","- Cu2 O4 Y2 -","2","0.0833333","","Kandpal, H.C.; Seshadri, R.","First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions","Solid State Sciences","2002","4","","1045","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531598","5.572","","5.572","","3.9488","","90","","90","","90","","122.599","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","(Na0.68 Sr0.29) (Ta O3)","","- Na0.68 O3 Sr0.29 Ta -","- Na0.6776 O3 Sr0.2904 Ta -","- Na1.3552 O6 Sr0.5808 Ta2 -","2","0.125","","Istomin, S.Ya.; Svensson, G.; Koehler, J.","A neutron powder diffraction study of Na1-x Srx Ta O3 (x = 0.2 and 0.3)","Solid State Sciences","2002","4","","191","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531640","7.0823","","7.0823","","9.5621","","90","","90","","120","","415.368","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","(Ge O)3 (Sb O3)2","","- Ge3 O9 Sb2 -","- Ge3 O9 Sb2 -","- Ge6 O18 Sb4 -","2","0.166667","","Ke, Y.-X.; Li, J.M.; Zhang, Y.-G.; Lu, S.-M.; Lei, Z.-B.","Synthesis and structure of a 3-rings antimony germanate: Sb2 Ge3 O9","Solid State Sciences","2002","4","","803","806","","","","","","","","","","","","","","","","","","","","","","has coordinates","157161","2020-10-21","18:00:00",""
"1531691","9.486","","9.486","","13.774","","90","","90","","120","","1073.39","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","K (Te3 O6 F)","","- F K O6 Te3 -","- F K O6 Te3 -","- F6 K6 O36 Te18 -","6","0.333333","","Laval, J.P.; Guillet, L.; Frit, B.","K Te3 O6 F: a new layer Te O2 structure, stuffed with K F units","Solid State Sciences","2002","4","","549","556","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531699","5.5639","","5.5688","","7.849","","90","","89.834","","90","","243.194","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","La (Li0.333 Ti0.667) O3","","- La Li0.333 O3 Ti0.667 -","- La Li0.3335 O3 Ti0.6665 -","- La4 Li1.334 O12 Ti2.666 -","4","1","","Kirk, C.A.; West, A.R.","Crystal structure of the perovskite-related phase of approximate composition La Li1/3 Ti2/3 O3","Solid State Sciences","2002","4","","1163","1166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531701","8.2314","","8.2314","","8.2314","","90","","90","","90","","557.726","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","(Li0.95 Cu0.05) (Mn0.78 Cr0.15 Cu0.07)2 O4","","- Cr0.3 Cu0.19 Li0.95 Mn1.56 O4 -","- Cr0.3 Cu0.19 Li0.95 Mn1.56 O4 -","- Cr2.4 Cu1.52 Li7.6 Mn12.48 O32 -","8","0.0416667","","Julien, C.; Ruth Mangani, I.; Selladurai, S.; Massot, M.","Synthesis, structure and electrochemistry of Li Mn2-y Cry/2 Cuy/2 O4 (0.0 <= y <= 0.5) prepared by wet chemistry","Solid State Sciences","2002","4","","1031","1038","","","","","","","","","","","","","","","","","","","","","","has coordinates","157243","2020-10-21","18:00:00",""
"1531798","3.86681","","3.86681","","15.3688","","90","","90","","90","","229.798","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Pb2 Sr2 (Cu2 Ru O8) Cl","","- Cl Cu2 O8 Pb2 Ru Sr2 -","- Cl Cu2 O8 Pb2 Ru Sr2 -","- Cl Cu2 O8 Pb2 Ru Sr2 -","1","0.0625","","McLaughlin, A.C.; Attfield, J.P.; Stout, L.D.; McAllister, J.A.","The synthesis, structure and magnetic properties of Pb2 Sr2 Cu2 Ru O8 Cl, a new layered ruthenocuprate","Solid State Sciences","2002","4","","431","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531802","3.936","","6.153","","3.656","","90","","90","","90","","88.542","","","","","","","","","","","","","2","P m m m","-P 2 2","47","","","","- Nb O -","- Nb O -","- Nb O -","1","0.125","","Lidin, S.; Rohrer, F.; Larsson, A.K.","The structure of Nb5 O12 F","Solid State Sciences","2002","4","","767","772","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531805","3.936","","6.153","","2.28","","90","","90","","90","","55.218","","","","","","","","","","","","","2","P m c m","-P 2c 2","51","","O0.875 F0.125","","- F0.125 O0.875 -","- F0.125 O0.875 -","- F0.125 O0.875 -","1","0.125","","Lidin, S.; Rohrer, F.; Larsson, A.K.","The structure of Nb5 O12 F","Solid State Sciences","2002","4","","767","772","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531859","5.003","","6.895","","12.646","","90","","97.74","","90","","432.258","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(C H3 O As F4)2","","- C2 H6 As2 F8 O2 -","- C2 As2 F8 O2 -","- C4 As4 F16 O4 -","2","0.5","","Lork, E.; Goertler, B.; Knapp, C.; Mews, R.","Alkylation of O P F3 by (Me O S O)(+) (As F6)(-): the unexpected formation of a dioxadiarsetane","Solid State Sciences","2002","4","","1403","1411","","","","","","","","","","","","","","","","","","","","","","has coordinates","157441","2020-10-21","18:00:00",""
"1531862","8.981","","8.981","","16.891","","90","","90","","120","","1179.87","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","(C H3)3 O (As F6)","","- C3 H9 As F6 O -","- C3 As F6 O -","- C18 As6 F36 O6 -","6","0.166667","","Lork, E.; Mews, R.; Knapp, C.; Goertler, B.","Alkylation of O P F3 by (Me O S O)(+) (As F6)(-): the unexpected formation of a dioxadiarsetane","Solid State Sciences","2002","4","","1403","1411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531917","7.0989","","9.5374","","23.3016","","90","","90","","90","","1577.64","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Rb3 Zn (V O)2 (P O4) (H P O4) (P2 O7)","","- H O17 P4 Rb3 V2 Zn -","- O17 P4 Rb3 V2 Zn -","- O68 P16 Rb12 V8 Zn4 -","4","1","","le Fur, E.; Pivan, J.Y.","Crystal structure of a rubidium zinc oxovanadium phosphate H Rb3 Zn V2 P4 O17 with open structure containing P O4, H P O4 and P2 O7","Solid State Sciences","2002","4","","233","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531923","3.183","","3.183","","11.474","","90","","90","","120","","100.674","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Cu (Mn0.662 Sb0.338) O2","","- Cu Mn0.662 O2 Sb0.338 -","- Cu Mn0.662 O2 Sb0.338 -","- Cu2 Mn1.324 O4 Sb0.676 -","2","0.0833333","","Nagarajan, R.; Jayaraj, M.K.; Uma, S.; Tate, J.; Sleight, A.W.","New Cu M2/3 Sb1/3 O2 and Ag M2/3 Sb1/3 O2 compounds with the delafossite structure","Solid State Sciences","2002","4","","787","792","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531925","5.344","","5.344","","34.327","","90","","90","","120","","848.984","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Cu3 Mg2 Sb O6","","- Cu3 Mg2 O6 Sb -","- Cu3 Mg2 O6 Sb -","- Cu18 Mg12 O36 Sb6 -","6","0.333333","","Nagarajan, R.; Uma, S.; Jayaraj, M.K.; Tate, J.; Sleight, A.W.","New Cu M2/3 Sb1/3 O2 and Ag M2/3 Sb1/3 O2 compounds with the delafossite structure","Solid State Sciences","2002","4","","787","792","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531934","11.607","","11.607","","14.66","","90","","90","","120","","1710.43","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Mn (C4 O4) (H2 O)2","","- C4 H4 Mn O6 -","- C4 Mn O6 -","- C36 Mn9 O54 -","9","0.5","","Neeraj, S.; Noy, M.L.; Rao, C.N.R.; Cheetham, A.K.","Sodalite networks formed by metal squarates","Solid State Sciences","2002","4","","1231","1236","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531935","16.256","","16.256","","16.256","","90","","90","","90","","4295.77","","","","","","","","","","","","","4","P n -3 n :2","-P 4a 2bc 3","222","","Zn (C4 O4) (H2 O)2","","- C4 H4 O6 Zn -","- C4 O6 Zn -","- C96 O144 Zn24 -","24","0.5","","Neeraj, S.; Noy, M.L.; Rao, C.N.R.; Cheetham, A.K.","Sodalite networks formed by metal squarates","Solid State Sciences","2002","4","","1231","1236","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531936","9.8856","","16.745","","6.4639","","90","","90","","90","","1070","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","(N H4) (Mn4 (P O4)3)","","- H4 Mn4 N O12 P3 -","- Mn4 N O12 P3 -","- Mn16 N4 O48 P12 -","4","0.5","","Neeraj, S.; Noy, M.L.; Cheetham, A.K.","Structure and magnetic properties of a three-dimensional framework manganese(II) phosphate, (N H4) (Mn4 (P O4)3)","Solid State Sciences","2002","4","","397","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531997","9.921","","8.9139","","10.309","","90","","91.24","","90","","911.461","","","","","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","Ba (Mn Ti5 O12)","","- Ba Mn O12 Ti5 -","- Ba Mn1.0002 O12 Ti4.9998 -","- Ba4 Mn4.0008 O48 Ti19.9992 -","4","1","","Prieto, A.L.; Siegrist, T.; Schneemeyer, L.F.","New barium manganese titanates prepared under reducing conditions","Solid State Sciences","2002","4","","323","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531999","15.075","","3.947","","9.0985","","90","","98.228","","90","","535.797","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Ba2 (Mn Ti5 O13)","","- Ba2 Mn O13 Ti5 -","- Ba2 Mn1.0002 O13 Ti4.9998 -","- Ba4 Mn2.0004 O26 Ti9.9996 -","2","0.25","","Prieto, A.L.; Siegrist, T.; Schneemeyer, L.F.","New barium manganese titanates prepared under reducing conditions","Solid State Sciences","2002","4","","323","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532008","4.1165","","3.5609","","8.644","","90","","90","","90","","126.708","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Hf N Br","","- Br Hf N -","- Br Hf N -","- Br2 Hf2 N2 -","2","0.25","","Oro-Sole, J.; Vlassov, M.; Beltran-Porter, D.; Fuertes, A.; Caldes, M.T.; Primo, V.","Synthesis and crystal structure of the alpha polytype of Hf N Br","Solid State Sciences","2002","4","","475","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532077","5.743","","5.725","","19.391","","90","","90","","90","","637.55","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Ce3 O F3 S2","","- Ce3 F3 O S2 -","- Ce3 F3 O S2 -","- Ce12 F12 O4 S8 -","4","0.5","","Pauwels, D.; Demourgues, A.; Guillen, F.; Laronze, H.; Gravereau, P.; Tressaud, A.; Isnard, O.","Structural features of new rare earth-based mixed anions (O, S, F) compounds: relationships between optical absorption and rare earth environment","Solid State Sciences","2002","4","","1471","1479","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532079","5.804","","5.784","","19.482","","90","","90","","90","","654.017","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","La3 O F3 S2","","- F3 La3 O S2 -","- F3 La3 O S2 -","- F12 La12 O4 S8 -","4","0.5","","Pauwels, D.; Demourgues, A.; Isnard, O.; Tressaud, A.; Laronze, H.; Guillen, F.; Gravereau, P.","Structural features of new rare earth-based mixed anions (O, S, F) compounds: relationships between optical absorption and rare earth environment","Solid State Sciences","2002","4","","1471","1479","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532080","4.111","","4.111","","6.917","","90","","90","","120","","101.238","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","La2 O1.5 F S","","- F La2 O1.5 S -","- F0.9998 La2 O1.5 S -","- F0.9998 La2 O1.5 S -","1","0.0833333","","Pauwels, D.; Laronze, H.; Demourgues, A.; Gravereau, P.; Guillen, F.; Isnard, O.; Tressaud, A.","Structural features of new rare earth-based mixed anions (O, S, F) compounds: relationships between optical absorption and rare earth environment","Solid State Sciences","2002","4","","1471","1479","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532116","4.8091","","8.0574","","6.928","","90","","109.379","","90","","253.243","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Li Fe (P2 O7)","","- Fe Li O7 P2 -","- Fe Li O7 P2 -","- Fe2 Li2 O14 P4 -","2","1","","Rousse, G.; Rodriguez-Carvajal, J.; Wurm, C.; Masquelier, C.","A neutron diffraction study of the antiferromagnetic diphosphate Li Fe P2 O7","Solid State Sciences","2002","4","","973","978","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532149","15.4232","","15.4232","","19.1816","","90","","90","","120","","3951.52","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cs2 (U4 O12)","","- Cs2 O12 U4 -","- Cs2 O12 U4 -","- Cs24 O144 U48 -","12","0.666667","","Van den Berghe, S.; Laval, J.P.; Verwerft, M.; Gaudreau, B.; Suard, E.","Study of the pyrochlore-related structure of alpha-(Cs2 U4 O12) by powder neutron and X-ray diffraction","Solid State Sciences","2002","4","","1257","1264","","","","","","","","","","","","","","","","","","","","","","has coordinates","157803","2020-10-21","18:00:00",""
"1532158","7.4037","","7.4037","","7.4037","","90","","90","","90","","405.832","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Ca Cu3 (Ti4 O12)","","- Ca Cu3 O12 Ti4 -","- Ca Cu3 O12 Ti4 -","- Ca2 Cu6 O24 Ti8 -","2","0.0416667","","Subramanian, M.A.; Sleight, A.W.","A Cu3 Ti4 O12 and A Cu3 Ru4 O12 perovskites: high dielectric constants and valence degeneracy","Solid State Sciences","2002","4","","347","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532161","7.428","","7.428","","7.428","","90","","90","","90","","409.841","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Ca Cu3 (Ru4 O12)","","- Ca Cu3 O12 Ru4 -","- Ca Cu3 O12 Ru4 -","- Ca2 Cu6 O24 Ru8 -","2","0.0416667","","Subramanian, M.A.; Sleight, A.W.","A Cu3 Ti4 O12 and A Cu3 Ru4 O12 perovskites: high dielectric constants and valence degeneracy","Solid State Sciences","2002","4","","347","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532163","7.4073","","7.4073","","7.4073","","90","","90","","90","","406.424","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Na Cu3 (Ru4 O12)","","- Cu3 Na O12 Ru4 -","- Cu3 Na O12 Ru4 -","- Cu6 Na2 O24 Ru8 -","2","0.0416667","","Subramanian, M.A.; Sleight, A.W.","A Cu3 Ti4 O12 and A Cu3 Ru4 O12 perovskites: high dielectric constants and valence degeneracy","Solid State Sciences","2002","4","","347","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532168","5.223","","13.818","","11.749","","90","","90","","90","","847.942","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Na2 Mg (P O4) F","","- F Mg Na2 O4 P -","- F Mg Na2 O4 P -","- F8 Mg8 Na16 O32 P8 -","8","1","","Swafford, S.H.; Holt, E.M.","New synthetic approaches to monophosphate fluoride ceramics: synthesis and structural characterization of Na2 Mg (P O4) F and Sr5 (P O4)3 F","Solid State Sciences","2002","4","","807","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532170","9.678","","9.678","","7.275","","90","","90","","120","","590.113","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Sr5 (P O4)3 F","","- F O12 P3 Sr5 -","- F O12 P3 Sr5 -","- F2 O24 P6 Sr10 -","2","0.166667","","Swafford, S.H.; Holt, E.M.","New synthetic approaches to monophosphate fluoride ceramics: synthesis and structural characterization of Na2 Mg (P O4) F and Sr5 (P O4)3 F","Solid State Sciences","2002","4","","807","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532239","10.068","","10.068","","18.917","","90","","90","","120","","1660.62","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","Ba8 (Ti3 Nb4 O24)","","- Ba8 Nb4 O24 Ti3 -","- Ba8 Nb3.99867 O24 Ti3.00133 -","- Ba24 Nb11.996 O72 Ti9.004 -","3","0.125","","Teneze, N.; Boullay, P.; Petricek, V.; Trolliard, G.; Mercurio, D.","Structural study of the cation ordering in the ternary oxide Ba8 Ti3 Nb4 O24","Solid State Sciences","2002","4","","1129","1136","","","","","","","","","","","","","","","","","","","","","","has coordinates","157913","2020-10-21","18:00:00",""
"1532274","5.74","","5.74","","127.11","","90","","90","","120","","3626.89","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ba13.97 Fe7.65 Ti15 O58.03","","- Ba13.97 Fe7.65 O58.03 Ti15 -","- Ba13.972 Fe7.563 O58.028 Ti15 -","- Ba41.916 Fe22.689 O174.084 Ti45 -","3","0.0833333","","Siegrist, T.; Vanderah, T.A.; Svensson, C.; Roth, R.S.","Crystal structure of Ba27 Fe16 Ti33 O117","Solid State Sciences","2002","4","","911","916","","","","","","","","","","","","","","","","","","","","","","has coordinates","157959","2020-10-21","18:00:00",""
"1532350","5.125","","5.125","","11.672","","90","","90","","90","","306.572","","","","","","","","","","","","","4","P -4","P -4","81","","Bi0.78 Cd0.22 V O3.72","","- Bi0.78 Cd0.22 O3.72 V -","- Bi0.78 Cd0.22 O3.72 V -","- Bi3.12 Cd0.88 O14.88 V4 -","4","1","","Uma, S.; Bliesner, R.; Sleight, A.W.","Oxygen ion conductivity in new oxygen deficient phases with scheelite related structures","Solid State Sciences","2002","4","","329","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532353","5.121","","5.121","","11.701","","90","","90","","90","","306.855","","","","","","","","","","","","","4","P -4","P -4","81","","Bi0.71 Ca0.29 V O3.855","","- Bi0.7225 Ca0.2775 O3.92 V -","- Bi0.7225 Ca0.2775 O3.92 V -","- Bi2.89 Ca1.11 O15.68 V4 -","4","1","","Uma, S.; Bliesner, R.; Sleight, A.W.","Oxygen ion conductivity in new oxygen deficient phases with scheelite related structures","Solid State Sciences","2002","4","","329","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532360","6.2907","","6.2907","","10.2691","","90","","90","","120","","351.934","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Y Ba Co4 O7","","- Ba Co4 O7 Y -","- Ba Co4 O7 Y -","- Ba2 Co8 O14 Y2 -","2","0.166667","","Valldor, M.; Andersson, M.","The structure of the new compound Y Ba Co4 O7 with a magnetic feature","Solid State Sciences","2002","4","","923","931","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534184","3.835","","3.835","","16.63","","90","","90","","90","","244.581","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Bi2 Nb O5 F","","- Bi2 F Nb O5 -","- Bi2 F1.02 Nb O4.98 -","- Bi4 F2.04 Nb2 O9.96 -","2","0.0625","","Aurivillius, B.","The structure of Bi2 Nb O5 F and isomorphous compounds","Arkiv foer Kemi","1952","4","","39","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534185","3.802","","3.802","","16.33","","90","","90","","90","","236.053","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Bi2 Ti O4 F2","","- Bi2 F2 O4 Ti -","- Bi2 F1.98 O4.02 Ti -","- Bi4 F3.96 O8.04 Ti2 -","2","0.0625","","Aurivillius, B.","The structure of Bi2 Nb O5 F and isomorphous compounds","Arkiv foer Kemi","1952","4","","39","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534335","5.4913","","5.7021","","9.6618","","90","","125.021","","90","","247.754","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Na3 (Cr F6)","","- Cr F6 Na3 -","- Cr F6 Na3 -","- Cr2 F12 Na6 -","2","0.5","","Brunton, G.","The crystal structure of Na3 Cr F6","Materials Research Bulletin","1969","4","","621","626","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534342","16.3","","11.57","","4.546","","90","","90","","90","","857.335","","","","","","","","","","","","","3","P m m n :1","P 2 2ab -1ab","59","","K (Sb F4)","","- F4 K Sb -","- F4 K Sb -","- F32 K8 Sb8 -","8","1","","Bystroem, A.; Wilhelmi, K.A.; Baecklund, S.","The crystal structure of K Sb F4","Arkiv foer Kemi","1952","4","","175","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534435","20.595","","9.6453","","22.161","","90","","97.36","","90","","4365.9","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","K3 (Ce2 P3 S12)","","- Ce2 K3 P3 S12 -","- Ce2 K3 P3 S12 -","- Ce16 K24 P24 S96 -","8","1","","Gauthier, G.; Evain, M.; Jobic, S.; Brec, R.","Synthesis and average and incommensurately modulated crystal structure of 2D-(K3 Ce2 P3 S12)","Solid State Sciences","2002","4","","1361","1366","","","","","","","","","","","","","","","","","","","","","","has coordinates","161177","2020-10-21","18:00:00",""
"1534716","5.469","","17.038","","7.494","","90","","99.73","","90","","688.252","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Sb F5) (P O F3)","","- F8 O P Sb -","- F8 O P Sb -","- F32 O4 P4 Sb4 -","4","1","","Lork, E.; Goertler, B.; Knapp, C.; Mews, R.","Alkylation of O P F3 by (Me O S O)(+) (As F6)(-): the unexpected formation of a dioxadiarsetane","Solid State Sciences","2002","4","","1403","1411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534837","6.7511","","7.0532","","18.437","","90","","98.8","","90","","867.578","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Rb2 (Nb2 S (S2) (P S4)2)","","- Nb2 P2 Rb2 S11 -","- Nb2 P2 Rb2 S11 -","- Nb4 P4 Rb4 S22 -","2","0.5","","Gutzmann, A.; Bensch, W.","Synthesis and crystal structure of the new quaternary niobium thiophosphate Rb2 Nb2 P2 S11","Solid State Sciences","2002","4","","835","840","","","","","","","","","","","","","","","","","","","","","","has coordinates","161872","2020-10-21","18:00:00",""
"1535056","6.3811","","6.3811","","10.5862","","90","","90","","90","","431.054","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Na3 (V2 O2 F (P O4)2)","","- F Na3 O10 P2 V2 -","- F Na3.04 O10 P2 V2 -","- F2 Na6.08 O20 P4 V4 -","2","0.0625","","Massa, W.; Yakubovich, O.V.; Dimitrova, O.V.","Crystal structure of a new sodium vanadyl(IV) fluoride phosphate Na3 (V2 O2 F (P O4)2)","Solid State Sciences","2002","4","","495","501","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535081","3.957","","3.957","","12.08","","90","","90","","90","","189.147","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","In2 Cu O4","","- Cu In2 O4 -","- Cu In2 O4 -","- Cu2 In4 O8 -","2","0.0625","","Belokoneva, E.L.; Leonyuk, L.I.; Leonyuk, N.I.","Preparation of single crystals and crystal structures of In2CuO4, (Nd,Ce)2CuO4 and tetragonal copper-deficient rare earth-superfluous phase Sm(Ba,Sm)2Cu3-yO2","Sverkhprovodimest: Fizika, Khimiya, Tekhnika","1991","4","","563","569","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535085","3.957","","3.957","","12.075","","90","","90","","90","","189.069","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Nd1.87 Ce0.13 Cu O4","","- Ce0.13 Cu Nd1.87 O4 -","- Ce0.13 Cu Nd1.87 O4 -","- Ce0.26 Cu2 Nd3.74 O8 -","2","0.0625","","Belokoneva, E.L.; Leonyuk, N.I.; Leonyuk, L.I.","Preparation of single crystals and crystal structures of In2CuO4, (Nd,Ce)2CuO4 and tetragonal copper-deficient rare earth-superfluous phase Sm(Ba,Sm)2Cu3-yO2","Sverkhprovodimest: Fizika, Khimiya, Tekhnika","1991","4","","563","569","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535089","3.896","","3.896","","11.598","","90","","90","","90","","176.044","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Sm (Ba1.715 Sm0.285) (Cu2.307 Al0.093) O5.12","","- Al0.093 Ba1.715 Cu2.307 O5.12 Sm1.285 -","- Al0.093 Ba1.714 Cu2.4 O5.12 Sm1.286 -","- Al0.093 Ba1.714 Cu2.4 O5.12 Sm1.286 -","1","0.0625","","Belokoneva, E.L.; Leonyuk, L.I.; Leonyuk, N.I.","Preparation of single crystals and crystal structures of In2CuO4, (Nd,Ce)2CuO4 and tetragonal copper-deficient rare earth-superfluous phase Sm(Ba,Sm)2Cu3-yO2","Sverkhprovodimest: Fizika, Khimiya, Tekhnika","1991","4","","563","569","","","","","","","","","","","","","","","","","","","","","","has coordinates","162275","2020-10-21","18:00:00",""
"1535145","8.29","","15.22","","8.59","","90","","111.56","","90","","1008","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(Ca (Xe F2)4) (As F6)2","","- As2 Ca F20 Xe4 -","- As2 Ca F20 Xe4 -","- As4 Ca2 F40 Xe8 -","2","1","","Benkic, P.; Tramsek, M.; Zemva, B.","(Ca (Xe F2)4) (As F6)2: (n = 4, 2.5): the first coordination compounds of Ca(2+) with Xe F2 ligand","Solid State Sciences","2002","4","","1425","1434","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535149","8.3073","","23.135","","8.4944","","90","","117.431","","90","","1448.98","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Ca (Xe F2)2.5) (As F6)2","","- As2 Ca F17 Xe2.5 -","- As2 Ca F17 Xe2.5 -","- As8 Ca4 F68 Xe10 -","4","1","","Benkic, P.; Tramsek, M.; Zemva, B.","(Ca (Xe F2)4) (As F6)2: (n = 4, 2.5): the first coordination compounds of Ca(2+) with Xe F2 ligand","Solid State Sciences","2002","4","","1425","1434","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535156","8.1046","","8.1046","","8.1046","","90","","90","","90","","532.347","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 Li (Os O6)","","- Ba2 Li O6 Os -","- Ba2 Li O6 Os -","- Ba8 Li4 O24 Os4 -","4","0.0208333","","Stitzer, K.E.; Smith, M.D.; zur Loye, H.C.","Crystal growth of Ba2 M Os O6 (M = Li, Na) from reactive hydroxide fluxes","Solid State Sciences","2002","4","","311","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535159","8.287","","8.287","","8.287","","90","","90","","90","","569.104","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 Na (Os O6)","","- Ba2 Na O6 Os -","- Ba2 Na O6 Os -","- Ba8 Na4 O24 Os4 -","4","0.0208333","","Stitzer, K.E.; Smith, M.D.; zur Loye, H.C.","Crystal growth of Ba2 M Os O6 (M = Li, Na) from reactive hydroxide fluxes","Solid State Sciences","2002","4","","311","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535312","4.92","","11.82","","5.85","","90","","90","","90","","340.203","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","(N H4) (V O3)","","- H4 N O3 V -","- N O3 V -","- N4 O12 V4 -","4","0.5","","Synecek, V.; Hanic, P.","The crystal structure of ammonium metavanadate","Czechoslovak Journal of Physics","1954","4","","120","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535326","8.76","","5.445","","7.093","","90","","90","","90","","338.323","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ba0.69 Pb0.31) (S O4)","","- Ba0.69 O4 Pb0.31 S -","- Ba0.69 O4 Pb0.31 S -","- Ba2.76 O16 Pb1.24 S4 -","4","0.5","","Takano, Y.","Studies on crystal structure and morphology of hokutolite series.","Kobutsugaku Zasshi (= Journal of the Mineralogical Society of Japan)","1959","4","","255","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535463","4.12","","4.43","","7.64","","90","","109.5","","90","","131.444","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","S N","","- N S -","- N S -","- N4 S4 -","4","1","","Boudeulle, M.","Beta poly-(sulfur nitride), (S N)x","Crystal Structure Communications","1975","4","","9","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535517","7.582","","7.582","","3.9178","","90","","90","","120","","195.048","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Gd Pd Cd","","- Cd Gd Pd -","- Cd Gd Pd -","- Cd3 Gd3 Pd3 -","3","0.25","","Hoffmann, R.D.; Fickenscher, T.; Poettgen, R.; Felser, C.; Latka, K.; Kmiec, R.","Ferromagnetic Oredering in GdPdCd","Solid State Sciences","2002","4","","5","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535520","7.6416","","4.7074","","7.9964","","90","","90","","90","","287.647","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr Pt Sn","","- Pt Sn Sr -","- Pt Sn Sr -","- Pt4 Sn4 Sr4 -","4","0.5","","Hoffmann, R.D.; Poettgen, R.; Kussmann, D.; Niepmann, D.; Trill, H.; Mosel, B.D.","Transition metal tin ordering in Sr Pt Sn, Sr Au Sn and Ba Au Sn and 119Sn Moessbauer spectroscopy of Ca Pd Sn, Ca Pt Sn and Sr Au Sn","Solid State Sciences","2002","4","","481","487","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535563","22.3222","","18.4636","","6.3678","","90","","90","","90","","2624.48","","","","","","","","","","","","","6","F m m 2","F 2 -2","42","","Hg4 Cd Br4 (S C N)6","","- C6 Br4 Cd Hg4 N6 S6 -","- C6 Br4 Cd Hg4 N6 S6 -","- C24 Br16 Cd4 Hg16 N24 S24 -","4","0.25","","Mosset, A.; Bagieu-Beucher, M.; Lecchi, A.; Masse, R.; Zaccaro, J.","Crystal engineering strategy of thiocyanates for quadratic nonlinear optics. Hg3 Cd Cl2 (S C N)6 and Hg4 Cd Br4 (S C N)6","Solid State Sciences","2002","4","","827","834","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535564","12.25","","12.28","","11.04","","90","","98.74","","90","","1641.46","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","(Pb (Xe F2)3) (As F6)2","","- As2 F18 Pb Xe3 -","- As2 F18 Pb Xe3 -","- As8 F72 Pb4 Xe12 -","4","0.5","","Tramsek, M.; Benkic, P.; Zemva, B.","(M (Xe F2)3) (As F6)2 (M = Pb, Sr): the first coordination compounds of M(2+) with Xe F2 ligand","Solid State Sciences","2002","4","","9","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535565","11.2066","","11.2066","","59.9204","","90","","90","","120","","6517.08","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","Hg3 Cd Cl2 (S C N)6","","- C6 Cd Cl2 Hg3 N6 S6 -","- C6 Cd Cl2 Hg3 N6 S6 -","- C72 Cd12 Cl24 Hg36 N72 S72 -","12","0.666667","","Mosset, A.; Lecchi, A.; Bagieu-Beucher, M.; Masse, R.; Zaccaro, J.","Crystal engineering strategy of thiocyanates for quadratic nonlinear optics. Hg3 Cd Cl2 (S C N)6 and Hg4 Cd Br4 (S C N)6","Solid State Sciences","2002","4","","827","834","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535725","3.852","","3.852","","29.29","","90","","90","","90","","434.602","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Tl1.96 Ba2 Ca0.9 Cu2.14 O8","","- Ba2 Ca0.9 Cu2.14 O8 Tl1.96 -","- Ba2 Ca0.896 Cu2.14 O7.996 Tl1.96 -","- Ba4 Ca1.792 Cu4.28 O15.992 Tl3.92 -","2","0.0625","","Muradyan, L.A.; Molchanov, V.N.; Kolesnikov, N.N.; Tamazyan, R.A.; Simonov, V.I.; Kulakov, M.P.; Shibaeva, R.P.; Korotkov, V.E.","Structure peculiarities of high Tc Tl2Ba2CaCu2O8 single crystals","Sverkhprovodimest: Fizika, Khimiya, Tekhnika","1991","4","","277","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","163180","2020-10-21","18:00:00",""
"1535757","4.602","","9.537","","5.772","","90","","90","","97.085","","251.395","","","","","","","","","","","","","4","P 1 1 21/m","-P 2c","11","","Tl Cu O (O H) (H2 O)3","","- Cu H7 O5 Tl -","- Cu O5.12 Tl -","- Cu2 O10.24 Tl2 -","2","0.5","","Tsirlina, G.A.; Rakhimov, H.T.; Putilin, S.N.; Petrii, O.A.; Ponomarev, Ya.G.; Antipov, E.V.","Low temperature electrosynthesis and thallium HTSC-coating properties","Sverkhprovodimest: Fizika, Khimiya, Tekhnika","1991","4","","1580","1586","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535825","3.783","","3.783","","8.64","","90","","90","","90","","123.648","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","(Pb0.6 Cu0.5) La Sr Cu O5.07","","- Cu1.5 La O5.072 Pb0.5 Sr -","- Cu1.5 La O5.072 Pb0.5 Sr -","- Cu1.5 La O5.072 Pb0.5 Sr -","1","0.0625","","Irodova, A.V.; Lavrova, O.A.; Laskova, G.V.; Gorobchenko, V.D.; Goncharenko, I.N.","The influence of oxygen upon superconductivity and structure of 1201-oxide (Pb0.6Cu0.5)LaSrCuO5+delta. New 1212-oxide (Pb0.6Cu0.5)LaSrCaCu2Ox","Sverkhprovodimest: Fizika, Khimiya, Tekhnika","1991","4","","1573","1579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535827","3.766","","3.766","","8.674","","90","","90","","90","","123.021","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","(Pb0.6 Cu0.5) La Sr Cu O5.01","","- Cu1.5 La O5.008 Pb0.5 Sr -","- Cu1.5 La O5.008 Pb0.5 Sr -","- Cu1.5 La O5.008 Pb0.5 Sr -","1","0.0625","","Irodova, A.V.; Lavrova, O.A.; Laskova, G.V.; Goncharenko, I.N.; Gorobchenko, V.D.","The influence of oxygen upon superconductivity and structure of 1201-oxide (Pb0.6Cu0.5)LaSrCuO5+delta. New 1212-oxide (Pb0.6Cu0.5)LaSrCaCu2Ox","Sverkhprovodimest: Fizika, Khimiya, Tekhnika","1991","4","","1573","1579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535830","3.84","","3.84","","11.818","","90","","90","","90","","174.264","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","(Pb0.6 Cu0.5) La Sr Ca Cu2 O6.95","","- Ca Cu2.5 La O6.952 Pb0.5 Sr -","- Ca Cu2.5 La O6.952 Pb0.5 Sr -","- Ca Cu2.5 La O6.952 Pb0.5 Sr -","1","0.0625","","Irodova, A.V.; Gorobchenko, V.D.; Laskova, G.V.; Lavrova, O.A.; Goncharenko, I.N.","The influence of oxygen upon superconductivity and structure of 1201-oxide (Pb0.6Cu0.5)LaSrCuO5+delta. New 1212-oxide (Pb0.6Cu0.5)LaSrCaCu2Ox","Sverkhprovodimest: Fizika, Khimiya, Tekhnika","1991","4","","1573","1579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535858","3.72911","","8.092","","10.1222","","71.2085","","80.5242","","86.6534","","285.216","","","","","","","","","","","","","5","P 1","P 1","1","","K3 (C6 N9) (H2 O)","","- C6 H2 K3 N9 O -","- C6 H2 K3 N9 O -","- C6 H2 K3 N9 O -","1","1","","Irran, E.; Juergens, B.; Schnick, W.","Synthesis, crystal structure determination from X-ray powder diffractometry and vibrational spectroscopy of the tricyanomelaminate monohydrates M3 (C6 H9) * (H2 O) (M = K, Rb)","Solid State Sciences","2002","4","","1305","1311","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1535862","3.93168","","8.26477","","10.36279","","70.7984","","81.8717","","87.5042","","314.803","","","","","","","","","","","","","5","P 1","P 1","1","","Rb3 (C6 N9) (H2 O)","","- C6 H2 N9 O Rb3 -","- C6 H2 N9 O Rb3 -","- C6 H2 N9 O Rb3 -","1","1","","Irran, E.; Juergens, B.; Schnick, W.","Synthesis, crystal structure determination from X-ray powder diffractometry and vibrational spectroscopy of the tricyanomelaminate monohydrates M3 (C6 H9) * (H2 O) (M = K, Rb)","Solid State Sciences","2002","4","","1305","1311","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1535958","6.5294","","5.09396","","8.7716","","90","","90","","90","","291.748","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","","","- K2 S -","- K2 S -","- K8 S4 -","4","0.5","","Vegas, A.; Grzechnik, A.; Muehle, C.; Hanfland, M.; Jansen, M.","Antifluorite to (Ni2 In)-type phase transition in K2 S at high pressures","Solid State Sciences","2002","4","","1077","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536116","13.11","","13.22","","15.05","","106.87","","114.32","","104.95","","2050.46","","","","","","","","","","","","","6","P -1","-P 1","2","","Na8 ((O H)3 O (Sb O3) ((H2 O) Zn) (W17 O52)) (H2 O)36","","- H77 Na8 O96 Sb W17 Zn -","- Na8 O96 Sb W17 Zn -","- Na8 O96 Sb W17 Zn -","1","0.5","","Jeannin, Y.","Synthese et etude structurale d'un nouvel heteropolytungstate substitue: Na8 (H3 X(III) M(II) W17 O59 (H2 O)) * 36 (H2 O) (X=Sb(III) ,Bi(III) et M= Mn(2+), Co(2+), Ni(2+), Cu(2+), Zn(2+)) de structure identique a celle de (H2 X(III) W18 O60)(7-) (X= AS, BI)","C.R. Acad. Sci. Paris, T. 1, Serie II","2001","4","","683","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536120","13.16","","13.282","","14.378","","112.45","","104.24","","105.05","","2068.51","","","","","","","","","","","","","6","P -1","-P 1","2","","Na8 ((O H)3 O (Sb O3) ((H2 O) Mn) (W17 O52)) (H2 O)36","","- H77 Mn Na8 O96 Sb W17 -","- Mn Na8 O96 Sb W17 -","- Mn Na8 O96 Sb W17 -","1","0.5","","Jeannin, Y.","Synthese et etude structurale d'un nouvel heteropolytungstate substitue: Na8 (H3 X(III) M(II) W17 O59 (H2 O)) * 36 (H2 O) (X=Sb(III) ,Bi(III) et M= Mn(2+), Co(2+), Ni(2+), Cu(2+), Zn(2+)) de structure identique a celle de (H2 X(III) W18 O60)(7-) (X= AS, BI)","C.R. Acad. Sci. Paris, T. 1, Serie II","2001","4","","683","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536124","13.124","","13.27","","15.043","","106.92","","114.31","","105.06","","2056.27","","","","","","","","","","","","","6","P -1","-P 1","2","","Na8 ((O H)3 O (Sb O3) ((H2 O) Co) (W17 O52)) (H2 O)36","","- Co H77 Na8 O96 Sb W17 -","- Co Na8 O96 Sb W17 -","- Co Na8 O96 Sb W17 -","1","0.5","","Jeannin, Y.","Synthese et etude structurale d'un nouvel heteropolytungstate substitue: Na8 (H3 X(III) M(II) W17 O59 (H2 O)) * 36 (H2 O) (X= Sb(III) ,Bi(III) et M= Mn(2+), Co(2+), Ni(2+), Cu(2+), Zn(2+)) de structure identique a celle de (H2 X(III) W18 O60)(7-) (X= AS, BI)","C.R. Acad. Sci. Paris, T. 1, Serie II","2001","4","","683","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536164","4.9098","","4.9098","","7.6078","","90","","90","","90","","183.395","","","","","","","","","","","","","3","P 42/m m c","-P 4c 2","131","","K Cu C2","","- C2 Cu K -","- C2 Cu K -","- C4 Cu2 K2 -","2","0.125","","Cremer, U.; Kockelmann, W.; Bertmer, M.; Ruschewitz, U.","Alkali metal copper acetylides A Cu C2 (A= Na - Cs): synthesis, crystal structures and spectroscopic properties","Solid State Sciences","2002","4","","247","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536170","4.9263","","4.9263","","8.285","","90","","90","","90","","201.064","","","","","","","","","","","","","3","P 42/m m c","-P 4c 2","131","","Rb Cu C2","","- C2 Cu Rb -","- C2 Cu Rb -","- C4 Cu2 Rb2 -","2","0.125","","Cremer, U.; Kockelmann, W.; Bertmer, M.; Ruschewitz, U.","Alkali metal copper acetylides A Cu C2 (A = Na - Cs): synthesis, crystal structures and spectroscopic properties","Solid State Sciences","2002","4","","247","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536174","4.4612","","4.4612","","4.918","","90","","90","","90","","97.88","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Rb Cu C2","","- C2 Cu Rb -","- C2 Cu Rb -","- C2 Cu Rb -","1","0.0625","","Cremer, U.; Kockelmann, W.; Bertmer, M.; Ruschewitz, U.","Alkali metal copper acetylides A Cu C2 (A = Na - Cs): synthesis, crystal structures and spectroscopic properties","Solid State Sciences","2002","4","","247","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536259","7.2645","","9.8048","","6.2718","","90","","106.819","","90","","427.612","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Na (Bi Te O5)","","- Bi Na O5 Te -","- Bi Na O5 Te -","- Bi4 Na4 O20 Te4 -","4","1","","Ok, K.M.; Halasyamani, P.S.","Synthesis, structure and characterization of a new tellurate: Na Bi Te O5","Solid State Sciences","2002","4","","793","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536272","10.06","","6.81","","12.45","","90","","97.25","","90","","846.113","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","S2 Co4 (C O)10","","- C10 Co4 O10 S2 -","- C10 Co4 O10 S2 -","- C20 Co8 O20 S4 -","2","0.5","","Wei, C.H.; Dahl, L.F.","Tetracobalt decacarbonyl disulfide, S2 Co4 (C O)10","Crystal Structure Communications","1975","4","","583","588","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536325","4.361","","10.22","","7.119","","90","","102.7","","90","","309.527","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Hg (Se O3)","","- Hg O3 Se -","- Hg O3 Se -","- Hg4 O12 Se4 -","4","1","","Weil, M.","Preparation and crystal structures of two new modifications of mercury(II) selenite(IV), Hg Se O3, and the mixed-valent mercury(II) selenite(IV) selenide(-II), (Hg Se O3)3 Hg Se","Solid State Sciences","2002","4","","1153","1162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536327","4.738","","9.053","","7.146","","90","","92.06","","90","","306.316","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Hg (Se O3)","","- Hg O3 Se -","- Hg O3 Se -","- Hg4 O12 Se4 -","4","1","","Weil, M.","Preparation and crystal structures of two new modifications of mercury(II) selenite(IV), Hg Se O3, and the mixed-valent mercury(II) selenite(IV) selenide(-II), (Hg Se O3)3 Hg Se","Solid State Sciences","2002","4","","1153","1162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536330","9.6309","","10.2257","","11.7515","","90","","93.569","","90","","1155.07","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(Hg (Se O3))3 (Hg Se)","","- Hg4 O9 Se4 -","- Hg4 O9 Se4 -","- Hg16 O36 Se16 -","4","1","","Weil, M.","Preparation and crystal structures of two new modifications of mercury(II) selenite(IV), Hg Se O3, and the mixed-valent mercury(II) selenite(IV) selenide(-II), (Hg Se O3)3 Hg Se","Solid State Sciences","2002","4","","1153","1162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536460","8.2101","","8.2101","","5.106","","90","","90","","120","","298.063","","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","La3 (Sn Ga3.1 Al1.9 O14)","","- Al1.9 Ga3.1 La3 O14 Sn -","- Al1.902 Ga3.096 La3 O14 Sn -","- Al1.902 Ga3.096 La3 O14 Sn -","1","0.166667","","Park, S.; Keszler, D.A.","Cation ordering in langasite structure types","Solid State Sciences","2002","4","","799","802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536463","8.251","","8.251","","5.1456","","90","","90","","120","","303.375","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","La3 (Sn Ga5 O14)","","- Ga5 La3 O14 Sn -","- Ga5 La3 O14 Sn -","- Ga5 La3 O14 Sn -","1","0.166667","","Park, S.; Keszler, D.A.","Cation ordering in langasite structure types","Solid State Sciences","2002","4","","799","802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536519","14.06","","14.26","","24.7","","90","","90","","90","","4952.24","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Dy13 Zn57 -","- Dy13 Zn57 -","- Dy52 Zn228 -","4","0.5","","Pay Gomez, C.; Lidin, S.","Structure of Dy13 Zn57 a binary quasicrystal approximant","Solid State Sciences","2002","4","","901","906","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536620","7.135","","7.135","","6.288","","90","","90","","90","","320.111","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Dy (V O4)","","- Dy O4 V -","- Dy O4 V -","- Dy4 O16 V4 -","4","0.125","","Will, G.; Schaefer, W.","The magnetic structure of antiferromagnetic Dy V O4","Journal of Physics C","1971","4","","811","819","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536790","9.562","","11.509","","5.138","","90","","91.16","","90","","565.316","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Mn1.333 Ta2.667 O8","","- Mn1.333 O8 Ta2.667 -","- Mn1.333 O8 Ta2.667 -","- Mn5.332 O32 Ta10.668 -","4","0.5","","Esmaeilzadeh, S.; Grins, J.","Meta-stable phases in the Mn - Ta - O system","Solid State Sciences","2002","4","","117","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","164657","2020-10-21","18:00:00",""
"1536924","10.1293","","10.1293","","10.1293","","90","","90","","90","","1039.29","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Si40.4 P5.6 I6.52","","- I6.52 P5.6 Si40.4 -","- I6.516 P5.6 Si40.4 -","- I6.516 P5.6 Si40.4 -","1","0.0208333","","Kovnir, K.A.; Uglov, A.N.; Zaikina, J.V.; Shevelkov, A.V.","Novel cationic clathrate: synthesis and structure of [Si40 P6] I6.5","Mendeleev Commun.","2004","4","","135","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","164824","2020-10-21","18:00:00",""
"1536954","16.77","","4.3817","","13.397","","90","","118.53","","90","","864.885","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Yb2 Pd6 In13","","- In13 Pd6 Yb2 -","- In13 Pd6 Yb2 -","- In26 Pd12 Yb4 -","2","0.25","","Zaremba, V.; Dubenskiy, V.; Kal'ichak, Ya.M.; Hoffmann, R.D.; Poettgen, R.","Indium substructures in Tb6 Pt12 In23, Dy2 Pt7 In16, and Yb2 Pd6 In13","Solid State Sciences","2002","4","","10","1293","","","","","","","","","","","","","","","","","","","","","","has coordinates","164869","2020-10-21","18:00:00",""
"1537015","4.297","","4.297","","7.013","","90","","90","","120","","112.141","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","La Al2 Ge2","","- Al2 Ge2 La -","- Al2 Ge2 La -","- Al2 Ge2 La -","1","0.0833333","","Kranenberg, C.; Johrendt, D.; Mewis, A.","The stability range of the (Ca Al2 Si2) -type structure in the case of Ln Al2 Ge2 compounds","Solid State Sciences","2002","4","","261","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537017","4.269","","4.269","","6.832","","90","","90","","120","","107.828","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Nd Al2 Ge2","","- Al2 Ge2 Nd -","- Al2 Ge2 Nd -","- Al2 Ge2 Nd -","1","0.0833333","","Kranenberg, C.; Johrendt, D.; Mewis, A.","The stability range of the (Ca Al2 Si2) -type structure in the case of Ln Al2 Ge2 compounds","Solid State Sciences","2002","4","","261","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537018","4.253","","4.253","","6.716","","90","","90","","120","","105.204","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Gd Al2 Ge2","","- Al2 Gd1.03 Ge2.06 -","- Al2 Gd1.03 Ge2.06 -","- Al2 Gd1.03 Ge2.06 -","1","0.0833333","","Kranenberg, C.; Johrendt, D.; Mewis, A.","The stability range of the (Ca Al2 Si2) -type structure in the case of Ln Al2 Ge2 compounds","Solid State Sciences","2002","4","","261","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","164979","2020-10-21","18:00:00",""
"1537020","4.194","","4.194","","6.846","","90","","90","","120","","104.286","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Gd Al Zn Ge2","","- Al Gd Ge2 Zn -","- Al Gd Ge2 Zn -","- Al Gd Ge2 Zn -","1","0.0833333","","Kranenberg, C.; Johrendt, D.; Mewis, A.","The stability range of the (Ca Al2 Si2) -type structure in the case of Ln Al2 Ge2 compounds","Solid State Sciences","2002","4","","261","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537022","4.238","","4.238","","6.661","","90","","90","","120","","103.608","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Tb Al2 Ge2","","- Al2 Ge2 Tb -","- Al2 Ge2 Tb -","- Al2 Ge2 Tb -","1","0.0833333","","Kranenberg, C.; Johrendt, D.; Mewis, A.","The stability range of the (Ca Al2 Si2) -type structure in the case of Ln Al2 Ge2 compounds","Solid State Sciences","2002","4","","261","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537026","4.16","","4.16","","6.615","","90","","90","","120","","99.14","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Lu Al2 Ge2","","- Al2 Ge2 Lu -","- Al2 Ge2 Lu -","- Al2 Ge2 Lu -","1","0.0833333","","Kranenberg, C.; Johrendt, D.; Mewis, A.","The stability range of the (Ca Al2 Si2) -type structure in the case of Ln Al2 Ge2 compounds","Solid State Sciences","2002","4","","261","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537030","4.205","","4.205","","6.699","","90","","90","","120","","102.582","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Y Al2 Ge2","","- Al2 Ge2 Y -","- Al2 Ge2 Y -","- Al2 Ge2 Y -","1","0.0833333","","Kranenberg, C.; Johrendt, D.; Mewis, A.","The stability range of the (Ca Al2 Si2) -type structure in the case of Ln Al2 Ge2 compounds","Solid State Sciences","2002","4","","261","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537128","8.34","","8.34","","8.34","","90","","90","","90","","580.094","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Fe Co Cr O4","","- Co Cr Fe O4 -","- Co Cr Fe O4 -","- Co8 Cr8 Fe8 O32 -","8","0.0416667","","Kulkarni, D.K.; Mande, C.","Ionic structure of the spinel Fe Co Cr O4","Journal of Physics D, Applied Physics","1971","4","","1218","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537177","11.388","","16.64","","11.424","","90","","93.63","","90","","2160.46","","","","","","","","","","","","","4","I 1 m 1","I -2y","8","","Pb5 Bi17 P5 O43","","- Bi17 O43 P5 Pb5 -","- Bi17 O43 P5 Pb5 -","- Bi34 O86 P10 Pb10 -","2","0.5","","Roussel, P.; Giraud, S.; Wignacourt, J.P.; Suard, E.; Steinfink, H.","A new fluorite type compound Pb5 Bi17 X5 O43: synchrotron and neutron structure determination (X = P) and conduction properties (X = P, V, As)","Solid State Sciences","2002","4","","1143","1152","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1537597","11.572","","5.926","","6.969","","90","","90","","90","","477.904","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","U (O H)2 S O4","","- H2 O6 S U -","- O6 S U -","- O24 S4 U4 -","4","0.5","","Lundgren, G.","The crystal structure of U (O H)2 S O4","Arkiv foer Kemi","1952","4","","421","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537654","13.825","","3.694","","3.954","","90","","90","","90","","201.929","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Mo O3 -","- Mo O3 -","- Mo4 O12 -","4","0.5","","Andersson, G.; Magneli, A.","On the crystal structure of molybdenum trioxide","Acta Chemica Scandinavica (43,1989-)","1950","4","","793","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:09",""
"1537855","8.884","","5.685","","10.152","","90","","115","","90","","464.693","","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","(Ca0.88 Mn0.12) (Ca0.69 La0.31) (Al0.69 Fe0.31) Al (Al0.15 Fe0.85) (Si3 O12) (O H)","","- Al1.84 Ca1.57 Fe1.16 H La0.31 Mn0.12 O13 Si3 -","- Al1.84 Ca1.57 Fe1.16 H La0.31 Mn0.12 O13 Si3 -","- Al3.68 Ca3.14 Fe2.32 H2 La0.62 Mn0.24 O26 Si6 -","2","0.5","","Bonazzi, P.; Garbarino, C.; Menchetti, S.","Crystal chemistry of piemontites: REE-bearing piemontite from Monte Brugiana, Alpi Apuane, Italy","European Journal of Mineralogy (1,1989-)","1992","4","","23","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537858","8.845","","5.668","","10.152","","90","","115.35","","90","","459.947","","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","(Ca.82 Mn.18) (Ca.84 La.16) (Al.82 Fe.18) Al (Al.08 Fe.92) Si3 O12 (O H)","","- Al1.9 Ca1.66 Fe1.1 H La0.16 Mn0.18 O13 Si3 -","- Al1.9 Ca1.66 Fe1.1 H La0.16 Mn0.18 O13 Si3 -","- Al3.8 Ca3.32 Fe2.2 H2 La0.32 Mn0.36 O26 Si6 -","2","0.5","","Bonazzi, P.; Menchetti, S.; Garbarino, C.","Crystal chemistry of piemontites: REE-bearing piemontite from Monte Brugiana, Alpi Apuane, Italy","European Journal of Mineralogy (1,1989-)","1992","4","","23","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538072","3.2132","","3.2132","","5.2409","","90","","90","","120","","46.861","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Mg47 Pb3)0.04","","- Mg1.88 Pb0.12 -","- Mg1.88 Pb0.12 -","- Mg1.88 Pb0.12 -","1","0.0416667","","Hardie, D.; Parkins, R.N.","Lattice spacing relationships in magnesium solid solutions","Philosophical Magazine, Serie 6 (1901-1925)","1959","4","","815","825","","","","","","","","","","","","","","","","","","","","","","has coordinates","166485","2020-10-21","18:00:00",""
"1538232","4.1429","","4.1429","","6.7076","","90","","90","","120","","99.703","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mn Te -","- Mn Te -","- Mn2 Te2 -","2","0.0833333","","Grønvold, F.; Kveseth, N. J.; Tichy, J.; Dos Santos Marques, F.","Thermophysical properties of manganese monotelluride from 298 to 700 K. Lattice constants, magnetic susceptibility and antiferromagnetic transition","The Journal of Chemical Thermodynamics","1972","4","6","795","806","10.1016/0021-9614(72)90001-8","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538545","5.638","","8.714","","4.633","","90","","90","","90","","227.617","","","","","","","","","","","","","3","P n m n","-P 2n 2n","58","","Mn3 (B O3)2","","- B2 Mn3 O6 -","- B2 Mn3 O6 -","- B4 Mn6 O12 -","2","0.25","","Sadanaga, R.; Nishimura, T.; Watanabe, T.","The structure of jimboite, Mn3 (B O3)2 and relationship with the structure of kotoite","Mineralogical Journal (Japan)","1965","4","","380","388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1538592","4.179","","4.179","","5.131","","90","","90","","120","","77.603","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- In Ni2 -","- In Ni2 -","- In2 Ni4 -","2","0.0833333","","Laves, F.; Wallbaum, H.J.","Ueber einige neue Vertereter des Ni As-Typs und ihre kristallchemische Bedeutung","Zeitschrift fuer Angewandte Mineralogie","1942","4","","17","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538663","6.078","","6.078","","6.078","","90","","90","","90","","224.534","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Hg Se -","- Hg Se -","- Hg4 Se4 -","4","0.0416667","","Kharkhorin, F.F.; Pashkovskii, M.V.; Lutsiv, R.V.; Svekolkina, L.G.; Petrov, V.M.; Mikhailyuk, G.P.","Splid solutions in the Hg Se - Hg S system","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1968","4","","30","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538664","4.13","","4.13","","4.13","","90","","90","","90","","70.445","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","W N","","- N W -","- N W -","- N4 W4 -","4","0.0208333","","Khitrova, V.I.","An electron-diffraction study of cubic tungsten nitride","Soviet Physics, Crystallography (= Kristallografiya)","1959","4","","513","520","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538684","8.577","","8.577","","5.79","","90","","90","","120","","368.876","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Ge3 U5 -","- Ge3 U5 -","- Ge6 U10 -","2","0.0833333","","Makarov, E.S.; Bykov, V.N.","Crystal structure of compounds of uranium with germanium","Kristallografiya","1959","4","","183","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538757","6.52","","6.52","","6.52","","90","","90","","90","","277.168","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Mg8 Si2.404 Sn1.596 -","- Mg8 Si2.404 Sn1.596 -","- Mg8 Si2.404 Sn1.596 -","1","0.00520833","","Nikitin, E.N.; Zaslavskii, A.I.; Tkalenko, E.N.; Zaitsev, V.K.; Kuznetsov, A.K.","A study of the phase diagram for the Mg2 Si - Mg2 Sn system and the properties of certain of its solid solutions","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1968","4","","1656","1659","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538867","12.47","","12.47","","12.47","","90","","90","","90","","1939.1","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mn23 Y6 -","- Mn23 Y6 -","- Mn92 Y24 -","4","0.0208333","","Kripyakevich, P.I.; Frankevich, D.P.; Voroshilov, Yu.V.","Compounds with Th6 Mn23-type structures in alloys of the rare-earth metals with manganese and iron","Soviet Powder Metallurgy and Metal Ceramics","1965","4","","915","919","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539037","3.21","","3.21","","3.21","","90","","90","","90","","33.076","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Mo Ta -","- Mo Ta -","- Mo Ta -","1","0.0104167","","Predmore, R.; Arsenault, R. J.","Short range order of Ta - Mo B.C.C. alloys","Scripta Metallurgica","1970","4","3","213","218","10.1016/0036-9748(70)90195-X","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539188","5.694","","5.694","","5.694","","90","","90","","90","","184.609","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Pt P2","","- P2 Pt -","- P2 Pt -","- P8 Pt4 -","4","0.166667","","Thomassen, L.","Ueber Kristallstrukturen einiqer binaerer Verbindungen der Platinmetalle II","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","4","","277","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539204","5.585","","5.585","","5.585","","90","","90","","90","","174.209","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Rh S2 -","- Rh S2 -","- Rh4 S8 -","4","0.166667","","Thomassen, L.","Ueber Kristallstrukturen einiqer binaerer Verbindungen der Platinmetalle II","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","4","","277","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539287","3.861","","3.861","","3.861","","90","","90","","90","","57.557","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pt3 V2)0.8","","- Pt2.4 V1.6 -","- Pt2.4 V1.6 -","- Pt2.4 V1.6 -","1","0.00520833","","Waterstrat, R.M.","The V-Pt constutution diagram","Metallurgical Transactions","1973","4","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","168138","2020-10-21","18:00:00",""
"1539289","3.879","","3.879","","3.879","","90","","90","","90","","58.366","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pt3 V -","- Pt3 V -","- Pt3 V -","1","0.0208333","","Waterstrat, R.M.","The V-Pt constutution diagram","Metallurgical Transactions","1973","4","","455","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539473","3.618","","6.492","","4.973","","90","","90","","90","","116.806","","","","","","","","","","","","","2","P m m 2","P 2 -2","25","","Ti Si","","- Si Ti -","- Si Ti -","- Si4 Ti4 -","4","1","","Ageev, N.V.; Samsonov, V.P.","An X-ray study of the crystal structures of titanium silicides and germanides","Zhurnal Neorganicheskoi Khimii","1959","4","","1590","1593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539555","3.798","","3.798","","6.192","","90","","90","","120","","77.352","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Zr Se2","","- Se2 Zr -","- Se2 Zr -","- Se2 Zr -","1","0.0833333","","van Arkel, A.O.","Crystal structure and physical properties","Physica (The Hague) (1,1934-17,1951)","1924","4","","286","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539777","7.177","","4.931","","5.49","","90","","90","","90","","194.29","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Cu3 Gd5 Ni2)0.8","","- Cu2.4 Gd4 Ni1.6 -","- Cu2.4 Gd4 Ni1.6 -","- Cu2.4 Gd4 Ni1.6 -","1","0.125","","Blanco, J.A.; Gomez Sal, J.C.; Rodriguez Fernandez, J.; Gignoux, D.; Schmitt, D.; Rodriguez-Carvajal, J.","Magnetic and electrical properties of Gd Ni1-x Cux compounds","Journal of Physics: Condensed Matter","1992","4","","8233","8244","","","","","","","","","","","","","","","","","","","","","","has coordinates","168802","2020-10-21","18:00:00",""
"1539780","3.778","","10.365","","4.221","","90","","90","","90","","165.29","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Gd Ni -","- Gd Ni -","- Gd4 Ni4 -","4","0.25","","Blanco, J.A.; Gomez Sal, J.C.; Rodriguez Fernandez, J.; Gignoux, D.; Rodriguez-Carvajal, J.; Schmitt, D.","Magnetic and electrical properties of Gd Ni1-x Cux compounds","Journal of Physics: Condensed Matter","1992","4","","8233","8244","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539784","9.72","","7.57","","6.81","","90","","90","","90","","501.083","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Na2 La (Si O4) (O H)","","- H La Na2 O5 Si -","- La Na2 O5 Si -","- La4 Na8 O20 Si4 -","4","0.5","","Chiragov, M.I.; Mamedov, Kh.S.","Crystal structure of the synthetic Na,La-silicate Na2LaSiO4(OH)","Uchenye Zapiski Azerbaidzhanskogo Gosudarstvennogo Universiteta","1974","4","","3","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539904","4.796","","4.796","","7.833","","90","","90","","120","","156.033","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Fe2 Ti -","- Fe2 Ti -","- Fe8 Ti4 -","4","0.166667","","Brown, P.J.; Deportes, J.; Ouladdiaf, B.","Magnetic structure of the Laves phase compound Ti Fe2","Journal of Physics: Condensed Matter","1992","4","","10015","10024","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539922","5.743","","8.557","","4.789","","90","","90","","90","","235.345","","","","","","","","","","","","","2","A m a 2","A 2 -2a","40","","","","- Cr O3 -","- Cr O3 -","- Cr4 O12 -","4","0.5","","Bystroem, A.; Wilhelmi, K.A.","The crystal structure of chromium trioxide","Acta Chemica Scandinavica (1-27,1973-42,1988)","1950","4","","1131","1141","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540233","13.74","","5.66","","9.39","","90","","102.4","","90","","713.21","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Pb3 (P O4)2","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","","Kiat, J.M.; Yamada, Y.; Boutrouille, P.; Chevrier, G.; Uesu, Y.; Calvarin, G.","Reinvestigation of the ferroelastic phase transition of lead phosphate (Pb3 (P O4)2)","Journal of Physics: Condensed Matter","1992","4","","4915","4922","","","","","","","","","","","","","","","","","","","","","","has coordinates","169470","2020-10-21","18:00:00",""
"1540704","12.235","","7.073","","9.298","","90","","116.31","","90","","721.279","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Ca3 (Si O4) O","Alite","- Ca3 O5 Si -","- Ca3 O5 Si -","- Ca18 O30 Si6 -","6","1.5","","Mumme, W.G.","Crystal structure of tricalcium silicate from a Portland cement clinker and its application to quantitative XRD analysis","N. Jb. Miner. Mh","1995","4","","145","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540829","7.419","","7.419","","7.419","","90","","90","","90","","408.353","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- V2 Zr -","- V2 Zr -","- V16 Zr8 -","8","0.0416667","","Voroshilov, Yu.V.; Fedorov, T.F.; Gorshkova, L.V.","The ternary systems Zr-V-C and Hf-V-C","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1968","4","","128","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541173","7.4594","","7.4594","","7.4594","","90","","90","","90","","415.061","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ho Mn2 -","- Ho Mn2 -","- Ho8 Mn16 -","8","0.0416667","","Ritter, C.; Kilcoyne, S.H.; Cywinski, R.; Mondal, S.","The magnetic structure of Ho Mn2","Journal of Physics: Condensed Matter","1992","4","","1559","1566","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541320","8.25","","8.25","","8.25","","90","","90","","90","","561.516","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba8 Fe5.32 U2.68 O24","","- Ba8 Fe5.32 O24 U2.68 -","- Ba8 Fe5.32 O24 U2.68 -","- Ba8 Fe5.32 O24 U2.68 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172620","2020-10-21","18:00:00",""
"1541322","8.268","","8.268","","8.268","","90","","90","","90","","565.199","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8 Fe5.052 Sc0.268 U2.68 O24","","- Ba8 Fe5.052 O24 Sc0.268 U2.68 -","- Ba8 Fe5.052 O24 Sc0.268 U2.68 -","- Ba8 Fe5.052 O24 Sc0.268 U2.68 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172622","2020-10-21","18:00:00",""
"1541324","8.274","","8.274","","8.274","","90","","90","","90","","566.43","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8 Fe4.788 Sc0.532 U2.68 O24","","- Ba8 Fe4.788 O24 Sc0.532 U2.68 -","- Ba8 Fe4.788 O24 Sc0.532 U2.68 -","- Ba8 Fe4.788 O24 Sc0.532 U2.68 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172624","2020-10-21","18:00:00",""
"1541326","8.294","","8.294","","8.294","","90","","90","","90","","570.548","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8 Fe4.264 Sc1.064 U2.664 O24","","- Ba8 Fe4.264 O24 Sc1.064 U2.664 -","- Ba8 Fe4.264 O24 Sc1.064 U2.664 -","- Ba8 Fe4.264 O24 Sc1.064 U2.664 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172626","2020-10-21","18:00:00",""
"1541327","8.3","","8.3","","8.3","","90","","90","","90","","571.787","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8 Fe4 Sc1.332 U2.664 O24","","- Ba8 Fe4 O24 Sc1.332 U2.664 -","- Ba8 Fe4 O24 Sc1.332 U2.664 -","- Ba8 Fe4 O24 Sc1.332 U2.664 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172628","2020-10-21","18:00:00",""
"1541328","8.34","","8.34","","8.34","","90","","90","","90","","580.094","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8 Fe2.664 Sc2.668 U2.668 O24","","- Ba8 Fe2.664 O24 Sc2.668 U2.668 -","- Ba8 Fe2.664 O24 Sc2.668 U2.668 -","- Ba8 Fe2.664 O24 Sc2.668 U2.668 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172630","2020-10-21","18:00:00",""
"1541330","8.36","","8.36","","8.36","","90","","90","","90","","584.277","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8 Fe2 Sc3.336 U2.668 O24","","- Ba8 Fe2 O24 Sc3.336 U2.668 -","- Ba8 Fe2 O24 Sc3.336 U2.668 -","- Ba8 Fe2 O24 Sc3.336 U2.668 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172632","2020-10-21","18:00:00",""
"1541331","8.379","","8.379","","8.379","","90","","90","","90","","588.27","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8 Fe1.332 Sc4 U2.668 O24","","- Ba8 Fe1.332 O24 Sc4 U2.668 -","- Ba8 Fe1.332 O24 Sc4 U2.668 -","- Ba8 Fe1.332 O24 Sc4 U2.668 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172634","2020-10-21","18:00:00",""
"1541333","8.419","","8.419","","8.419","","90","","90","","90","","596.735","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba8 Sc5.332 U2.668 O24","","- Ba8 O24 Sc5.332 U2.668 -","- Ba8 O24 Sc5.332 U2.668 -","- Ba8 O24 Sc5.332 U2.668 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172636","2020-10-21","18:00:00",""
"1541334","8.304","","8.304","","8.304","","90","","90","","90","","572.614","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba7.996 Fe4.8 Y0.536 U2.668 O24","","- Ba7.996 Fe4.8 O24 U2.668 Y0.536 -","- Ba7.996 Fe4.8 O24 U2.668 Y0.536 -","- Ba7.996 Fe4.8 O24 U2.668 Y0.536 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172637","2020-10-21","18:00:00",""
"1541336","8.35","","8.35","","8.35","","90","","90","","90","","582.183","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba7.996 Fe4.264 Y1.068 U2.668 O24","","- Ba7.996 Fe4.264 O24 U2.668 Y1.068 -","- Ba7.996 Fe4.264 O24 U2.668 Y1.068 -","- Ba7.996 Fe4.264 O24 U2.668 Y1.068 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172639","2020-10-21","18:00:00",""
"1541337","8.401","","8.401","","8.401","","90","","90","","90","","592.916","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8 Fe3.732 Y1.596 U2.668 O24","","- Ba8 Fe3.732 O24 U2.668 Y1.596 -","- Ba8.004 Fe3.732 O24 U2.668 Y1.596 -","- Ba8.004 Fe3.732 O24 U2.668 Y1.596 -","1","0.00520833","","Berthon, J.; Poix, P.; Grenet, J.C.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172641","2020-10-21","18:00:00",""
"1541338","8.444","","8.444","","8.444","","90","","90","","90","","602.067","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8 Fe3.2 Y2.132 U2.668 O24","","- Ba8 Fe3.2 O24 U2.668 Y2.132 -","- Ba8.004 Fe3.2 O24 U2.668 Y2.132 -","- Ba8.004 Fe3.2 O24 U2.668 Y2.132 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172643","2020-10-21","18:00:00",""
"1541339","8.492","","8.492","","8.492","","90","","90","","90","","612.393","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba7.996 Fe2.664 Y2.668 U2.668 O24","","- Ba7.996 Fe2.664 O24 U2.668 Y2.668 -","- Ba7.996 Fe2.664 O24 U2.668 Y2.668 -","- Ba7.996 Fe2.664 O24 U2.668 Y2.668 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172644","2020-10-21","18:00:00",""
"1541340","8.532","","8.532","","8.532","","90","","90","","90","","621.087","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba7.996 Fe2.132 Y3.204 U2.668 O24","","- Ba7.996 Fe2.132 O24 U2.668 Y3.204 -","- Ba7.996 Fe2.132 O24 U2.668 Y3.204 -","- Ba7.996 Fe2.132 O24 U2.668 Y3.204 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172645","2020-10-21","18:00:00",""
"1541341","8.576","","8.576","","8.576","","90","","90","","90","","630.746","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba7.996 Fe1.6 Y3.736 U2.668 O24","","- Ba7.996 Fe1.6 O24 U2.668 Y3.736 -","- Ba7.996 Fe1.6 O24 U2.668 Y3.736 -","- Ba7.996 Fe1.6 O24 U2.668 Y3.736 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172646","2020-10-21","18:00:00",""
"1541343","8.293","","8.293","","8.293","","90","","90","","90","","570.342","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8 Fe4.8 Lu0.52 U2.68 O24","","- Ba8 Fe4.8 Lu0.52 O24 U2.68 -","- Ba8 Fe4.8 Lu0.52 O24 U2.68 -","- Ba8 Fe4.8 Lu0.52 O24 U2.68 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172648","2020-10-21","18:00:00",""
"1541345","8.333","","8.333","","8.333","","90","","90","","90","","578.634","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8 Fe4.24 Lu1.068 U2.68 O24","","- Ba8 Fe4.24 Lu1.068 O24 U2.68 -","- Ba8 Fe4.24 Lu1.068 O24 U2.68 -","- Ba8 Fe4.24 Lu1.068 O24 U2.68 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172650","2020-10-21","18:00:00",""
"1541346","8.371","","8.371","","8.371","","90","","90","","90","","586.586","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8.04 Fe3.72 Lu1.56 U2.68 O24","","- Ba8.04 Fe3.72 Lu1.56 O24 U2.68 -","- Ba8.04 Fe3.72 Lu1.56 O24 U2.68 -","- Ba8.04 Fe3.72 Lu1.56 O24 U2.68 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172652","2020-10-21","18:00:00",""
"1541348","8.412","","8.412","","8.412","","90","","90","","90","","595.248","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8.04 Fe3.2 Lu2.12 U2.68 O24","","- Ba8.04 Fe3.2 Lu2.12 O24 U2.68 -","- Ba8.04 Fe3.2 Lu2.12 O24 U2.68 -","- Ba8.04 Fe3.2 Lu2.12 O24 U2.68 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172654","2020-10-21","18:00:00",""
"1541350","8.446","","8.446","","8.446","","90","","90","","90","","602.495","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8.04 Fe2.64 Lu2.64 U2.68 O24","","- Ba8.04 Fe2.64 Lu2.64 O24 U2.68 -","- Ba8.04 Fe2.64 Lu2.64 O24 U2.68 -","- Ba8.04 Fe2.64 Lu2.64 O24 U2.68 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172656","2020-10-21","18:00:00",""
"1541352","8.483","","8.483","","8.483","","90","","90","","90","","610.448","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba7.96 Fe2.12 Lu3.24 U2.68 O24","","- Ba7.96 Fe2.12 Lu3.24 O24 U2.68 -","- Ba7.96 Fe2.12 Lu3.24 O24 U2.68 -","- Ba7.96 Fe2.12 Lu3.24 O24 U2.68 -","1","0.00520833","","Berthon, J.; Poix, P.; Grenet, J.C.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172658","2020-10-21","18:00:00",""
"1541354","8.51","","8.51","","8.51","","90","","90","","90","","616.295","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba7.96 Fe1.6 Lu3.76 U2.68 O24","","- Ba7.96 Fe1.6 Lu3.76 O24 U2.68 -","- Ba7.96 Fe1.6 Lu3.76 O24 U2.68 -","- Ba7.96 Fe1.6 Lu3.76 O24 U2.68 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172660","2020-10-21","18:00:00",""
"1541356","8.3","","8.3","","8.3","","90","","90","","90","","571.787","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba7.972 Fe4.788 Tm0.56 U2.68 O24","","- Ba7.972 Fe4.788 O24 Tm0.56 U2.68 -","- Ba7.972 Fe4.788 O24 Tm0.56 U2.68 -","- Ba7.972 Fe4.788 O24 Tm0.56 U2.68 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172662","2020-10-21","18:00:00",""
"1541358","8.341","","8.341","","8.341","","90","","90","","90","","580.302","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba7.972 Fe4.252 Tm1.092 U2.68 O24","","- Ba7.972 Fe4.252 O24 Tm1.092 U2.68 -","- Ba7.972 Fe4.252 O24 Tm1.092 U2.68 -","- Ba7.972 Fe4.252 O24 Tm1.092 U2.68 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172664","2020-10-21","18:00:00",""
"1541360","8.391","","8.391","","8.391","","90","","90","","90","","590.801","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8 Fe3.72 Tm1.6 U2.68 O24","","- Ba8 Fe3.72 O24 Tm1.6 U2.68 -","- Ba8 Fe3.72 O24 Tm1.6 U2.68 -","- Ba8 Fe3.72 O24 Tm1.6 U2.68 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172666","2020-10-21","18:00:00",""
"1541362","8.429","","8.429","","8.429","","90","","90","","90","","598.864","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba7.972 Fe3.188 Tm2.16 U2.68 O24","","- Ba7.972 Fe3.188 O24 Tm2.16 U2.68 -","- Ba7.972 Fe3.188 O24 Tm2.16 U2.68 -","- Ba7.972 Fe3.188 O24 Tm2.16 U2.68 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172668","2020-10-21","18:00:00",""
"1541363","8.47","","8.47","","8.47","","90","","90","","90","","607.645","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba7.972 Fe2.652 Tm2.692 U2.68 O24","","- Ba7.972 Fe2.652 O24 Tm2.692 U2.68 -","- Ba7.972 Fe2.652 O24 Tm2.692 U2.68 -","- Ba7.972 Fe2.652 O24 Tm2.692 U2.68 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172670","2020-10-21","18:00:00",""
"1541364","8.513","","8.513","","8.513","","90","","90","","90","","616.947","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8 Fe2.12 Tm3.2 U2.68 O24","","- Ba8 Fe2.12 O24 Tm3.2 U2.68 -","- Ba8 Fe2.12 O24 Tm3.2 U2.68 -","- Ba8 Fe2.12 O24 Tm3.2 U2.68 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172672","2020-10-21","18:00:00",""
"1541365","8.3","","8.3","","8.3","","90","","90","","90","","571.787","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba7.972 Fe4.788 Dy0.56 U2.68 O24","","- Ba7.972 Dy0.56 Fe4.788 O24 U2.68 -","- Ba7.972 Dy0.56 Fe4.788 O24 U2.68 -","- Ba7.972 Dy0.56 Fe4.788 O24 U2.68 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172674","2020-10-21","18:00:00",""
"1541366","8.353","","8.353","","8.353","","90","","90","","90","","582.811","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8.028 Fe4.264 Dy1.04 U2.668 O24","","- Ba8.028 Dy1.04 Fe4.264 O24 U2.668 -","- Ba8.028 Dy1.04 Fe4.264 O24 U2.668 -","- Ba8.028 Dy1.04 Fe4.264 O24 U2.668 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172677","2020-10-21","18:00:00",""
"1541368","8.403","","8.403","","8.403","","90","","90","","90","","593.339","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8 Fe3.72 Dy1.6 U2.68 O24","","- Ba8 Dy1.6 Fe3.72 O24 U2.68 -","- Ba8 Dy1.6 Fe3.72 O24 U2.68 -","- Ba8 Dy1.6 Fe3.72 O24 U2.68 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172679","2020-10-21","18:00:00",""
"1541369","8.451","","8.451","","8.451","","90","","90","","90","","603.565","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba7.96 Fe3.2 Dy2.16 U2.68 O24","","- Ba7.96 Dy2.16 Fe3.2 O24 U2.68 -","- Ba7.96 Dy2.16 Fe3.2 O24 U2.68 -","- Ba7.96 Dy2.16 Fe3.2 O24 U2.68 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172680","2020-10-21","18:00:00",""
"1541370","8.505","","8.505","","8.505","","90","","90","","90","","615.209","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8.04 Fe2.64 Dy2.64 U2.68 O24","","- Ba8.04 Dy2.64 Fe2.64 O24 U2.68 -","- Ba8.04 Dy2.64 Fe2.64 O24 U2.68 -","- Ba8.04 Dy2.64 Fe2.64 O24 U2.68 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172681","2020-10-21","18:00:00",""
"1541371","8.546","","8.546","","8.546","","90","","90","","90","","624.15","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8 Fe2.12 Dy3.2 U2.68 O24","","- Ba8 Dy3.2 Fe2.12 O24 U2.68 -","- Ba8 Dy3.2 Fe2.12 O24 U2.68 -","- Ba8 Dy3.2 Fe2.12 O24 U2.68 -","1","0.00520833","","Berthon, J.; Poix, P.; Grenet, J.C.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172682","2020-10-21","18:00:00",""
"1541372","8.588","","8.588","","8.588","","90","","90","","90","","633.397","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba7.96 Fe1.6 Dy3.76 U2.68 O24","","- Ba7.96 Dy3.76 Fe1.6 O24 U2.68 -","- Ba7.96 Dy3.76 Fe1.6 O24 U2.68 -","- Ba7.96 Dy3.76 Fe1.6 O24 U2.68 -","1","0.00520833","","Berthon, J.; Poix, P.; Grenet, J.C.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172683","2020-10-21","18:00:00",""
"1541373","8.386","","8.386","","8.386","","90","","90","","90","","589.745","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8 Fe2.668 In2.664 U2.668 O24","","- Ba8 Fe2.668 In2.664 O24 U2.668 -","- Ba8 Fe2.668 In2.664 O24 U2.668 -","- Ba8 Fe2.668 In2.664 O24 U2.668 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172684","2020-10-21","18:00:00",""
"1541374","8.416","","8.416","","8.416","","90","","90","","90","","596.097","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8 Fe2 In3.332 U2.668 O24","","- Ba8 Fe2 In3.332 O24 U2.668 -","- Ba8 Fe2 In3.332 O24 U2.668 -","- Ba8 Fe2 In3.332 O24 U2.668 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172685","2020-10-21","18:00:00",""
"1541375","8.437","","8.437","","8.437","","90","","90","","90","","600.571","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8 Fe1.332 In4 U2.668 O24","","- Ba8 Fe1.332 In4 O24 U2.668 -","- Ba8 Fe1.332 In4 O24 U2.668 -","- Ba8 Fe1.332 In4 O24 U2.668 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172686","2020-10-21","18:00:00",""
"1541376","8.463","","8.463","","8.463","","90","","90","","90","","606.14","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba8 Fe0.668 In4.664 U2.668 O24","","- Ba8 Fe0.668 In4.664 O24 U2.668 -","- Ba8 Fe0.668 In4.664 O24 U2.668 -","- Ba8 Fe0.668 In4.664 O24 U2.668 -","1","0.00520833","","Berthon, J.; Poix, P.; Grenet, J.C.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172687","2020-10-21","18:00:00",""
"1541377","8.496","","8.496","","8.496","","90","","90","","90","","613.258","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba8 In5.32 U2.68 O24","","- Ba8 In5.32 O24 U2.68 -","- Ba8 In5.32 O24 U2.68 -","- Ba8 In5.32 O24 U2.68 -","1","0.00520833","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","172688","2020-10-21","18:00:00",""
"1541589","8.3415","","8.3415","","8.3415","","90","","90","","90","","580.407","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Ni Fe1.95 Mn.05 O4","","- Fe1.95 Mn0.05 Ni O4 -","- Fe1.95 Mn0.05 Ni O4 -","- Fe15.6 Mn0.4 Ni8 O32 -","8","0.0416667","","Subramanyam, K.N.","Neutron and X-Ray diffraction studies of certain doped nickel ferrites","Journal of Physics C","1971","4","","2266","2268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541619","4.35885","","4.35885","","4.35885","","90","","90","","90","","82.816","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Si C N","","- C N Si -","- C N Si -","- C4 N4 Si4 -","4","0.0416667","","Kawamura, T.","Silicon carbide crystals grown in nitrogen atmosphere","Mineralogical Journal (Japan)","1965","4","","333","355","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541657","11","","11","","11","","90","","90","","90","","1331","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Na O H","","- H Na O -","- Na O -","- Na8 O8 -","8","0.0833333","","Smothers, W. J.; Kruh, R. F.; Carlton, J. K.; Chiang, Y.","A Study of Phase Transitions in Sodium Hydroxide","Journal of Applied Chemistry","1954","4","5","268","273","10.1002/jctb.5010040505","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541661","3.08","","3.08","","241.9","","90","","90","","120","","1987.32","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","Si C","","- C Si -","- C Si -","- C96 Si96 -","96","5.33333","","Tokonami, M.","The structure determination of the 96R polytype of Si C by a direct method","Mineralogical Journal (Japan)","1966","4","","401","423","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541671","11.393","","17.583","","9.587","","90.24","","99.74","","99.92","","1863.42","","","","","","","","","","","","","7","P -1","-P 1","2","","Li ((C F3)2 (S O2)2 N) (H2 O)","","- C2 H2 F6 Li N O5 S2 -","- C2 F6 Li N O5 S2 -","- C16 F48 Li8 N8 O40 S16 -","8","4","","Xue, L.-X.; Padgett, C.W.; DesMarteau, D.D.; Pennington, W.T.","Synthesis and structures of alkali metal salts of bis((trifluoromethyl) sulfonyl) imide","Solid State Sciences","2002","4","","1535","1545","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541755","22.346","","13.541","","12.86","","90","","90","","90","","3891.27","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","K ((C F3)2 (S O2)2 N)","","- C2 F6 K N O4 S2 -","- C2 F6 K N O4 S2 -","- C32 F96 K16 N16 O64 S32 -","16","2","","Xue, L.-X.; Padgett, C.W.; DesMarteau, D.D.; Pennington, W.T.","Synthesis and structures of alkali metal salts of bis((trifluoromethyl) sulfonyl) imide","Solid State Sciences","2002","4","","1535","1545","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541812","8.285","","8.285","","8.285","","90","","90","","90","","568.693","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Ba8 Fe4.8 In0.532 U2.668 O24","","- Ba8 Fe4.8 In0.532 O24 U2.668 -","- Ba8 Fe4.8 In0.532 O24 U2.668 -","- Ba8 Fe4.8 In0.532 O24 U2.668 -","1","0.0416667","","Berthon, J.; Poix, P.; Grenet, J.C.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","173328","2020-10-21","18:00:00",""
"1541813","8.307","","8.307","","8.307","","90","","90","","90","","573.235","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Ba8 Fe4.268 In1.064 U2.668 O24","","- Ba8 Fe4.268 In1.064 O24 U2.668 -","- Ba8 Fe4.268 In1.064 O24 U2.668 -","- Ba8 Fe4.268 In1.064 O24 U2.668 -","1","0.0416667","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","173330","2020-10-21","18:00:00",""
"1541825","13.185","","22.397","","8.247","","90","","90","","90","","2435.38","","","","","","","","","","","","","7","F m m 2","F 2 -2","42","","Na ((C F3)2 (S O2)2 N) (C H3 O H) (H2 O)","","- C3 H6 F6 N Na O6 S2 -","- C3 H6 F6 N Na O6 S2 -","- C24 H48 F48 N8 Na8 O48 S16 -","8","0.5","","Xue, L.-X.; Pennington, W.T.; Padgett, C.W.; DesMarteau, D.D.","Synthesis and structures of alkali metal salts of bis((trifluoromethyl) sulfonyl) imide","Solid State Sciences","2002","4","","1535","1545","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","198668","2020-10-21","18:00:00",""
"1541826","16.423","","16.423","","7.658","","90","","90","","90","","2065.48","","","","","","","","","","","","","7","I -4","I -4","82","","Rb ((C F3)2 (S O2)2 N) (H2 O)","","- C2 H2 F6 N O5 Rb S2 -","- C2 H2 F6 N O5 Rb S2 -","- C16 H16 F48 N8 O40 Rb8 S16 -","8","1","","Xue, L.-X.; Pennington, W.T.; Padgett, C.W.; DesMarteau, D.D.","Synthesis and structures of alkali metal salts of bis((trifluoromethyl) sulfonyl) imide","Solid State Sciences","2002","4","","1535","1545","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541828","22.428","","7.014","","13.518","","90","","92.12","","90","","2125.06","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Cs ((C F3)2 (S O2)2 N)","","- C2 Cs F6 N O4 S2 -","- C2 Cs F6 N O4 S2 -","- C16 Cs8 F48 N8 O32 S16 -","8","1","","Xue, L.-X.; Padgett, C.W.; DesMarteau, D.D.; Pennington, W.T.","Synthesis and structures of alkali metal salts of bis((trifluoromethyl) sulfonyl) imide","Solid State Sciences","2002","4","","1535","1545","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541850","4.13","","4.13","","4.13","","90","","90","","90","","70.445","","","","","","","","","","","","","2","P n -3 m :2","-P 4bc 2bc 3","224","","W N","","- N W -","- N W -","- N4 W4 -","4","0.0833333","","Khitrova, V.I.; Pinsker, Z.G.","An electron-diffraction study of cubic tungsten nitride","Kristallografiya","1959","4","","545","553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541873","5.53","","7.1","","18.3","","90","","102.72","","90","","700.879","","","","","","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","Na2 (Ti0.5 Mn0.5) (Ti0.25 Zr0.75) (Si2 O7) O (F (O H))0.5","","- F0.5 H0.5 Mn0.5 Na2 O8.5 Si2 Ti0.75 Zr0.75 -","- F0.5 Mn0.5 Na2 O8.5 Si2 Ti0.75 Zr0.75 -","- F2 Mn2 Na8 O34 Si8 Ti3 Zr3 -","4","1","","Simonov, V.I.; Belov, N.V.","The determination of the structure of seidozerite","Kristallografiya","1959","4","","163","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541949","8.269","","8.269","","8.269","","90","","90","","90","","565.404","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Ba8 Fe5.064 In0.268 U2.668 O24","","- Ba8 Fe5.064 In0.268 O24 U2.668 -","- Ba8 Fe5.064 In0.268 O24 U2.668 -","- Ba8 Fe5.064 In0.268 O24 U2.668 -","1","0.0416667","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","173797","2020-10-21","18:00:00",""
"1541950","8.319","","8.319","","8.319","","90","","90","","90","","575.723","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Ba8 Fe4 In1.332 U2.668 O24","","- Ba8 Fe4 In1.332 O24 U2.668 -","- Ba8 Fe4 In1.332 O24 U2.668 -","- Ba8 Fe4 In1.332 O24 U2.668 -","1","0.0416667","","Berthon, J.; Grenet, J.C.; Poix, P.","Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent","Annales de Chimie (Paris)","1979","4","","609","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","173799","2020-10-21","18:00:00",""
"1541957","9.35","","9.35","","6.85","","90","","90","","120","","518.614","","","","","","","","","","","","","7","P 63/m","-P 6c","176","","Ca4.33 Sr.51 La.16 (P O4)3 (O H).5 F.5","","- Ca4.33 F0.5 H0.5 La0.16 O12.5 P3 Sr0.51 -","- Ca4.3301 F0.5 La0.1599 O12.5 P3 Sr0.51 -","- Ca8.6602 F La0.3198 O25 P6 Sr1.02 -","2","0.166667","","Borisov, S.V.; Klevtsova, R.F.","Crystal Structure of Rare-Earth-Strontium-Apatite","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1963","4","","629","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541994","11.906","","6.884","","14.171","","90","","90","","90","","1161.47","","","","","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","(Ru (N O) (N H3)5) Cl3 (H2 O)","","- Cl3 H17 N6 O2 Ru -","- Cl3 H17 N6 O2 Ru -","- Cl12 H68 N24 O8 Ru4 -","4","1","","Khodashova, T.S.","Arrangement in crystals of ruthenium nitrosopentaamminetrichloride","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1963","4","","111","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"1542026","13.23","","5.27","","18.35","","90","","92.9","","90","","1277.76","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Ni Hg (S C N)4 (H2 O)2","","- C4 H4 Hg N4 Ni O2 S4 -","- C4 Hg N4 Ni O2 S4 -","- C16 Hg4 N16 Ni4 O8 S16 -","4","0.5","","Porai-Koshits, M.A.","Structural features of crystals of some rhodanide compounds with divalent nickel and copper","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1963","4","","584","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542087","8.98","","5.75","","10.23","","90","","115","","90","","478.735","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Al2 Ca Fe Ce (Si2 O7) (Si O4) O (O H)","","- Al2 Ca Ce Fe H O13 Si3 -","- Al2 Ca Ce Fe O13 Si3 -","- Al4 Ca2 Ce2 Fe2 O26 Si6 -","2","0.5","","Rumanova, I.M.; Nikoleva, T.V.","Crystal structure of orthite","Kristallografiya","1959","4","","829","835","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542158","11.26","","6.76","","15.74","","90","","104.58","","90","","1159.51","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N H4)2 (Ru (N O) (O H) Cl4)","","- Cl4 H9 N3 O2 Ru -","- Cl4 H9 N3 O2 Ru -","- Cl16 H36 N12 O8 Ru4 -","4","1","","Parpiev, N.A.; Porai-Koshits, M.A.","The structure of crystals of ammonium tetrachlorohydroxynitroso-ruthenate","Kristallografiya","1959","4","","30","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"1542162","9.03","","7.68","","15.15","","90","","90","","90","","1050.66","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Cu Hg (S C N)4","","- C4 Cu Hg N4 S4 -","- C4 Cu Hg N4 S4 -","- C16 Cu4 Hg4 N16 S16 -","4","0.5","","Porai-Koshits, M.A.","Structural Features of Crystals of Some Rhodanide Compounds with Divalent Nickel and Copper","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1963","4","","584","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542398","16.436","0.004","18.645","0.005","19.723","0.005","90","","90","","90","","6044","3","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H47 Br O U -","- C32 H47 Br O U -","- C256 H376 Br8 O8 U8 -","8","2","","Lichtscheidl, Alejandro; Pagano, Justin; Scott, Brian; Nelson, Andrew; Kiplinger, Jaqueline","Expanding the Chemistry of Actinide Metallocene Bromides. Synthesis, Properties and Molecular Structures of the Tetravalent and Trivalent Uranium Bromide Complexes: (C5Me4R)2UBr2, (C5Me4R)2U(O-2,6-iPr2C6H3)(Br), and [K(THF)][(C5Me4R)2UBr2] (R = Me, Et)","Inorganics","2016","4","1","1","","10.3390/inorganics4010001","","","0.71073","MoKα","","0.0705","0.0416","","","0.0865","0.1004","","","","","","0.991","","","","has coordinates","175830","2020-10-21","18:00:00",""
"1542399","14.9546","0.0012","17.323","0.002","8.194","0.0007","90","","90","","90","","2122.7","0.3","100","1","100","1","","","","","","","","4","F m m 2","F 2 -2","42","","","","- C20 H30 Br2 U -","- C20 H30 Br2 U -","- C80 H120 Br8 U4 -","4","0.25","","Lichtscheidl, Alejandro; Pagano, Justin; Scott, Brian; Nelson, Andrew; Kiplinger, Jaqueline","Expanding the Chemistry of Actinide Metallocene Bromides. Synthesis, Properties and Molecular Structures of the Tetravalent and Trivalent Uranium Bromide Complexes: (C5Me4R)2UBr2, (C5Me4R)2U(O-2,6-iPr2C6H3)(Br), and [K(THF)][(C5Me4R)2UBr2] (R = Me, Et)","Inorganics","2016","4","1","1","","10.3390/inorganics4010001","","","0.71073","MoKα","","0.0193","0.018","","","0.0498","0.066","","","","","","1.27","","","","has coordinates","175831","2020-10-21","18:00:00",""
"1542400","11.0688","0.0009","29.295","0.003","8.7573","0.0007","90","","102.609","0.001","90","","2771.2","0.4","100","1","100","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H38 Br2 K O U -","- C24 H38 Br2 K O U -","- C96 H152 Br8 K4 O4 U4 -","4","1","","Lichtscheidl, Alejandro; Pagano, Justin; Scott, Brian; Nelson, Andrew; Kiplinger, Jaqueline","Expanding the Chemistry of Actinide Metallocene Bromides. Synthesis, Properties and Molecular Structures of the Tetravalent and Trivalent Uranium Bromide Complexes: (C5Me4R)2UBr2, (C5Me4R)2U(O-2,6-iPr2C6H3)(Br), and [K(THF)][(C5Me4R)2UBr2] (R = Me, Et)","Inorganics","2016","4","1","1","","10.3390/inorganics4010001","","","0.71073","MoKα","","0.0535","0.0483","","","0.1229","0.1308","","","","","","1.152","","","","has coordinates","175833","2020-10-21","18:00:00",""
"1542401","8.2013","0.0007","18.6785","0.0017","8.4618","0.0008","90","","118.833","0.001","90","","1135.55","0.18","100","1","100","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C22 H34 Br2 U -","- C22 H34 Br2 U -","- C44 H68 Br4 U2 -","2","0.5","","Lichtscheidl, Alejandro; Pagano, Justin; Scott, Brian; Nelson, Andrew; Kiplinger, Jaqueline","Expanding the Chemistry of Actinide Metallocene Bromides. Synthesis, Properties and Molecular Structures of the Tetravalent and Trivalent Uranium Bromide Complexes: (C5Me4R)2UBr2, (C5Me4R)2U(O-2,6-iPr2C6H3)(Br), and [K(THF)][(C5Me4R)2UBr2] (R = Me, Et)","Inorganics","2016","4","1","1","","10.3390/inorganics4010001","","","0.71073","MoKα","","0.029","0.0252","","","0.0663","0.0741","","","","","","1.361","","","","has coordinates","175834","2020-10-21","18:00:00",""
"1543245","16.6233","0.0011","7.5451","0.0003","12.2941","0.0008","90","","110.965","0.005","90","","1439.9","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cl2 N Si -","- C14 H15 Cl2 N Si -","- C56 H60 Cl8 N4 Si4 -","4","1","","Gerlach, Daniela; Brendler, Erica; Wagler, Jörg","Hexacoordinate Silicon Compounds with a Dianionic Tetradentate (N,N′,N′,N)-Chelating Ligand","Inorganics","2016","4","2","8","","10.3390/inorganics4020008","","","0.71073","MoKα","","0.0535","0.0348","","","0.0771","0.0841","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543246","14.3173","0.0004","18.2897","0.0008","21.3671","0.0007","90","","101.839","0.002","90","","5476.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N4 O2.5 Si -","- C32 H30 N4 O2.5 Si -","- C256 H240 N32 O20 Si8 -","8","2","","Gerlach, Daniela; Brendler, Erica; Wagler, Jörg","Hexacoordinate Silicon Compounds with a Dianionic Tetradentate (N,N′,N′,N)-Chelating Ligand","Inorganics","2016","4","2","8","","10.3390/inorganics4020008","","","0.71073","MoKα","","0.0744","0.0441","","","0.1013","0.1129","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543247","14.5651","0.0007","22.872","0.0008","10.4529","0.0005","90","","124.37","0.003","90","","2874.2","0.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H35 N5 O Si -","- C34 H35 N5 O Si -","- C136 H140 N20 O4 Si4 -","4","1","","Gerlach, Daniela; Brendler, Erica; Wagler, Jörg","Hexacoordinate Silicon Compounds with a Dianionic Tetradentate (N,N′,N′,N)-Chelating Ligand","Inorganics","2016","4","2","8","","10.3390/inorganics4020008","","","0.71073","MoKα","","0.0381","0.0331","","","0.08","0.0831","","","","","","1.052","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543248","9.7135","0.0003","14.9827","0.0004","18.4932","0.0004","82.491","0.001","83.162","0.001","88.353","0.001","2649.1","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N4 O Si -","- C32 H30 N4 O Si -","- C128 H120 N16 O4 Si4 -","4","2","","Gerlach, Daniela; Brendler, Erica; Wagler, Jörg","Hexacoordinate Silicon Compounds with a Dianionic Tetradentate (N,N′,N′,N)-Chelating Ligand","Inorganics","2016","4","2","8","","10.3390/inorganics4020008","","","0.71073","MoKα","","0.079","0.0463","","","0.114","0.1241","","","","","","1.06","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1544682","5.194","0.005","9","0.01","9.8","0.01","90","","100.1","0.1","90","","451","0.8","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","Ca1.1Mg2.18Al0.72(Al2.95Si1.05)O10(OH)2","","xanthophyllite","- Al3.67 Ca1.1 H2 Mg2.18 O12 Si1.05 -","- Al2.96 Ca Mg3 O12 Si1.04 -","- Al5.92 Ca2 Mg6 O24 Si2.08 -","2","0.25","","Takeuchi, Y.; Sadanaga, R.","Structural studies of brittle micas (I) The structure of xanthophyllite refined","Mineralogical Journal","1966","4","","424","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","188716","2020-10-21","18:00:00",""
"1544749","9.7188","0.0001","7.1598","0.0001","18.2787","0.0003","90","","98.358","0.001","90","","1258.41","0.03","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C10 Cl8 -","- C10 Cl8 -","- C40 Cl32 -","4","1","","Sarkar, Sounak; Row, Tayur N. Guru","A heuristic approach to evaluate <i>peri</i> interactions <i>versus</i> intermolecular interactions in an overcrowded naphthalene","IUCrJ","2017","4","1","","","10.1107/S205225251601808X","","x-ray","0.71073","MoKα","","0.042","0.025","","","","0.048","","","","","","1.004","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544761","17.2096","0.0002","31.3584","0.0004","50.5444","0.0006","90","","90","","90","","27277.1","0.6","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C142 H160 Er5 F90 N47 O100 S30 -","- C142 H160 Er5 F90 N47 O100 S30 -","- C568 H640 Er20 F360 N188 O400 S120 -","4","1","","Prodius, D.; Smetana, V.; Steinberg, S.; Wilk-Kozubek, M.; Mudryk, Y.; Pecharsky, V. K.; Mudring, A.-V.","Breaking the paradigm: record quindecim charged magnetic ionic liquids","Mater. Horiz.","2017","4","2","217","","10.1039/C6MH00468G","","","0.71073","MoKα","","0.0783","0.0613","","","0.1536","0.164","","","","","","1.016","","","","has coordinates","195193","2020-10-21","18:00:00",""
"1544782","36.662","0.003","37.055","0.004","5.1092","0.0005","90","","90","","90","","6940.9","1.2","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C30 H30 N4 O2 S2 Zn -","- C30 H30 N4 O2 S2 Zn -","- C240 H240 N32 O16 S16 Zn8 -","8","0.5","","Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J.","Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes","IUCrJ","2017","4","1","","","10.1107/S2052252516019072","","","0.71073","MoKα","","0.1057","0.0887","","","0.2644","0.2832","","","","","","1.186","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1544783","14.871","0.002","4.9627","0.0009","20.315","0.003","90","","93.183","0.004","90","","1496.9","0.4","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C28 H26 F2 N4 O6 S2 Zn -","- C35.5 H20 F2 N4 S2 Zn -","- C71 H40 F4 N8 S4 Zn2 -","2","0.5","","Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J.","Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes","IUCrJ","2017","4","1","","","10.1107/S2052252516019072","","","0.71073","MoKα","","0.1452","0.0645","","","0.1408","0.1804","","","","","","0.937","","","","has coordinates","189133","2020-10-21","18:00:00",""
"1544784","10.3095","0.0004","12.2083","0.0004","20.7566","0.0007","90","","96.68","0.001","90","","2594.72","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 F2 N4 S2 Zn -","- C28 H20 F2 N4 S2 Zn -","- C112 H80 F8 N16 S8 Zn4 -","4","1","","Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J.","Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes","IUCrJ","2017","4","1","","","10.1107/S2052252516019072","","","0.71073","MoKα","","0.0476","0.0361","","","0.0851","0.091","","","","","","1.027","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1544785","8.276","0.005","24.824","0.015","12.523","0.008","90","","90","","90","","2573","3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H20 F2 N4 S2 Zn -","- C28 H20 F2 N4 S2 Zn -","- C112 H80 F8 N16 S8 Zn4 -","4","0.5","","Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J.","Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes","IUCrJ","2017","4","1","","","10.1107/S2052252516019072","","","0.71073","MoKα","","0.0483","0.0431","","","0.107","0.1098","","","","","","1.083","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1545111","11.608","","11.634","","4.634","","90","","90","","90","","625.81","","293","","293","","16.5","","16.5","","","","","1","P 21/b 1 1","-P 2xab","14","Barium","BaIVb at high pressure of 16.5 GPa","","- Ba -","- Ba1.25 -","- Ba20 -","16","4","","Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais","Incommensurate atomic density waves in the high-pressure IVb phase of barium","IUCrJ","2017","4","2","152","157","10.1107/S2052252517000264","","x-ray","0.4151","synchrotron","","0.0909","0.0909","","","0.0638","0.0638","","","","4.93","4.93","4.93","","","","has coordinates","193979","2020-10-21","18:00:00",""
"1545112","11.6146","","11.6256","","4.6341","","90","","90","","90","","625.727","","293","","293","","","","17.4","","","","","1","P 21/b 1 1","-P 2xab","14","Barium","BaIVb at high pressure of 17.4 GPa","","- Ba -","- Ba1.25 -","- Ba20 -","16","4","","Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais","Incommensurate atomic density waves in the high-pressure IVb phase of barium","IUCrJ","2017","4","2","152","157","10.1107/S2052252517000264","","x-ray","0.4151","synchrotron","","0.0989","0.0989","","","0.0796","0.0796","","","","4.11","4.11","4.11","","","","has coordinates","193979","2020-10-21","18:00:00",""
"1545113","11.5313","","11.6527","","4.6109","","90","","90","","90","","619.57","","293","","293","","18.2","","18.2","","","","","1","P 21/b 1 1","-P 2xab","14","Barium","BaIVb at high pressure of 18.2 GPa","","- Ba -","- Ba1.25 -","- Ba20 -","16","4","","Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais","Incommensurate atomic density waves in the high-pressure IVb phase of barium","IUCrJ","2017","4","2","152","157","10.1107/S2052252517000264","","x-ray","0.4151","synchrotron","","0.0928","0.0928","","","0.0658","0.0658","","","","1.04","1.04","1.04","","","","has coordinates","193979","2020-10-21","18:00:00",""
"1545114","11.5457","","11.5882","","4.599","","90","","90","","90","","615.318","","293","","293","","18.5","","18.5","","","","","1","P 21/b 1 1","-P 2xab","14","Barium","BaIVb at high pressure of 18.5 GPa","","- Ba -","- Ba1.25 -","- Ba20 -","16","4","","Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais","Incommensurate atomic density waves in the high-pressure IVb phase of barium","IUCrJ","2017","4","2","152","157","10.1107/S2052252517000264","","x-ray","0.4151","synchrotron","","0.1531","0.1531","","","0.1046","0.1046","","","","3.97","3.97","3.97","","","","has coordinates","193979","2020-10-21","18:00:00",""
"1545115","11.4996","","11.5527","","4.6035","","90","","90","","90","","611.582","","293","","293","","19","","19","","","","","1","P 21/b 1 1","-P 2xab","14","Barium","BaIVb at high pressure of 19.0 GPa","","- Ba -","- Ba1.25 -","- Ba20 -","16","4","","Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais","Incommensurate atomic density waves in the high-pressure IVb phase of barium","IUCrJ","2017","4","2","152","157","10.1107/S2052252517000264","","x-ray","0.4151","synchrotron","","0.1441","0.1441","","","0.0963","0.0963","","","","1.62","1.62","1.62","","","","has coordinates","193979","2020-10-21","18:00:00",""
"1545116","11.439","0.003","11.53","0.007","4.5937","0.0014","90","","90","","90","","605.9","0.4","293","","293","","19.6","","19.6","","","","","1","P 21/b 1 1","-P 2xab","14","Barium","BaIVb at high pressure of 19.6 GPa","","- Ba -","- Ba1.25 -","- Ba20 -","16","4","","Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais","Incommensurate atomic density waves in the high-pressure IVb phase of barium","IUCrJ","2017","4","2","152","157","10.1107/S2052252517000264","","x-ray","0.4151","synchrotron","","0.0966","0.0966","","","0.0673","0.0673","","","","1.26","1.26","1.26","","","","has coordinates","193979","2020-10-21","18:00:00",""
"1545241","5.874","0.0004","13.082","0.0007","19.297","0.0012","90","","90","","90","","1482.85","0.16","100","2","99.65","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H8 O6 Pb S -","- C14 H8 O6 Pb S -","- C56 H32 O24 Pb4 S4 -","4","0.5","","Alkordi, Mohamed H.; Belmabkhout, Youssef; Cairns, Amy; Eddaoudi, Mohamed","Metal‒organic frameworks for H~2~ and CH~4~ storage: insights on the pore geometry‒sorption energetics relationship","IUCrJ","2017","4","2","131","135","10.1107/S2052252516019060","","","1.54178","CuKα","","0.04","0.0387","","","0.1014","0.1025","","","","","","0.888","","","","has coordinates","193978","2020-10-21","18:00:00",""
"1545537","23.14","0.0018","5.19","0.0008","21.2642","0.0019","90","","111.714","0.017","90","","2372.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ACEMETACIN2PYRIDONE","","","- C26 H23 Cl N2 O7 -","- C26 H23 Cl N2 O7 -","- C104 H92 Cl4 N8 O28 -","4","1","","Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini","Acemetacin cocrystal structures by powder X-ray diffraction","IUCrJ","2017","4","3","","","10.1107/S2052252517002305","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0524","1.433","","","","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545538","21.348","0.002","4.1931","0.0012","15.2174","0.0019","90.567","0.017","101.4","0.02","89.473","0.016","1335.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACEMETACINNICOTINAMIDEFORMII","","","- C27 H26 Cl N3 O8 -","- C27 H26 Cl N3 O8 -","- C54 H52 Cl2 N6 O16 -","2","1","","Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini","Acemetacin cocrystal structures by powder X-ray diffraction","IUCrJ","2017","4","3","","","10.1107/S2052252517002305","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0363","1.198","","","","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545539","4.8977","0.0011","40.914","0.004","12.8874","0.0019","90","","100.328","0.018","90","","2540.6","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ACEMETACINNICOTINAMIDEFORMI","","","- C27 H24 Cl N3 O7 -","- C27 H24 Cl N3 O7 -","- C108 H96 Cl4 N12 O28 -","4","1","","Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini","Acemetacin cocrystal structures by powder X-ray diffraction","IUCrJ","2017","4","3","","","10.1107/S2052252517002305","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0358","1.076","","","","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545540","17.2939","0.0018","4.8191","0.0007","16.9544","0.0015","90","","113.529","0.017","90","","1295.5","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","ACEMETACINPABA","","","- C28 H25 Cl N2 O8 -","- C28 H25 Cl N2 O8 -","- C56 H50 Cl2 N4 O16 -","2","1","","Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini","Acemetacin cocrystal structures by powder X-ray diffraction","IUCrJ","2017","4","3","","","10.1107/S2052252517002305","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0404","1.365","","","","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545541","11.7638","0.0012","20.5548","0.0019","5.1627","0.0009","89.543","0.014","93.3","0.016","96.276","0.017","1238.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACEMETACINVLM","","","- C26 H27 Cl N2 O7 -","- C26 H27 Cl N2 O7 -","- C52 H54 Cl2 N4 O14 -","2","1","","Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini","Acemetacin cocrystal structures by powder X-ray diffraction","IUCrJ","2017","4","3","","","10.1107/S2052252517002305","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0555","1.549","","","","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545680","8.4492","0.0007","9.1167","0.0005","9.1545","0.0008","81.461","0.006","77.033","0.007","80.551","0.006","673.27","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","","- C14 H10 Cl2 N2 O2 -","- C14 H10 Cl2 N2 O2 -","- C28 H20 Cl4 N4 O4 -","2","1","LQ5003","Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini","Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals","IUCrJ","2017","4","3","","","10.1107/S2052252517004043","","","1.54184","CuKα","","0.0888","0.0491","","","0.0922","0.1183","","","","","","0.977","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545681","8.3558","0.0004","12.7516","0.0009","13.0135","0.0009","78.05","0.006","77.167","0.005","88.734","0.004","1322.24","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","","- C14 H10 Cl2 N2 O2 -","- C14 H10 Cl2 N2 O2 -","- C56 H40 Cl8 N8 O8 -","4","2","LQ5003","Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini","Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals","IUCrJ","2017","4","3","","","10.1107/S2052252517004043","","","1.54184","CuKα","","0.0564","0.0433","","","0.107","0.1193","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545682","7.2798","0.0009","13.2794","0.0015","14.5473","0.0009","87.618","0.007","80.816","0.007","75.707","0.01","1345.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","","- C14 H10 Cl2 N2 O2 -","- C14 H10 Cl2 N2 O2 -","- C56 H40 Cl8 N8 O8 -","4","2","LQ5003","Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini","Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals","IUCrJ","2017","4","3","","","10.1107/S2052252517004043","","","1.54184","CuKα","","0.1063","0.0616","","","0.1604","0.2179","","","","","","0.988","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545683","7.4309","0.0014","13.296","0.002","14.694","0.003","87.6","0.006","80.034","0.007","75.859","0.007","1386.5","0.4","453","2","453","2","","","","","","","","5","P -1","-P 1","2","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide","","- C14 H10 Cl2 N2 O2 -","- C14 H10 Cl2 N2 O2 -","- C56 H40 Cl8 N8 O8 -","4","2","","Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini","Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals","IUCrJ","2017","4","3","","","10.1107/S2052252517004043","","","0.71073","MoKα","","0.0639","0.0541","","","0.1472","0.1572","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545684","8.3928","0.0007","9.2815","0.0008","9.3877","0.0008","81.62","0.007","75.049","0.007","81.589","0.007","694.45","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","((E)-4-((3,5-Dibromo-2-Hydroxybenzylidene)amino)benzamide","((E)-4-((3,5-Dibromo-2-Hydroxybenzylidene)amino)benzamide","","- C14 H10 Br2 N2 O2 -","- C14 H10 Br2 N2 O2 -","- C28 H20 Br4 N4 O4 -","2","1","","Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini","Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals","IUCrJ","2017","4","3","","","10.1107/S2052252517004043","","","1.54184","CuKα","","0.0407","0.0369","","","0.0965","0.1007","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545685","8.4678","0.0006","9.6066","0.0007","9.6522","0.0007","81.239","0.002","84.45","0.002","72.336","0.002","738.36","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","((E)-4-((3,5-Diiodo-2-Hydroxybenzylidene)amino)benzamide","((E)-4-((3,5-Diiodo-2-Hydroxybenzylidene)amino)benzamide","","- C14 H10 I2 N2 O2 -","- C14 H10 I2 N2 O2 -","- C28 H20 I4 N4 O4 -","2","1","","Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini","Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals","IUCrJ","2017","4","3","","","10.1107/S2052252517004043","","","0.71073","MoKα","","0.0489","0.0337","","","0.0742","0.0809","","","","","","1.017","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1546012","12.232","0.0012","12.7073","0.0015","17.15","0.002","90","","103.5","0.008","90","","2592.1","0.5","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl I O4 -","- C12 H10 Cl I O4 -","- C96 H80 Cl8 I8 O32 -","8","2","LC5079","Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe","Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts","IUCrJ","2017","4","4","","","10.1107/S2052252517004262","","","0.71073","MoKα","","0.0359","0.0227","","","0.0483","0.0538","","","","","","1.064","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1546013","5.9721","0.0005","12.9442","0.0012","18.387","0.002","90","","96.195","0.012","90","","1413.1","0.2","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 F6 I P -","- C12 H10 F6 I P -","- C48 H40 F24 I4 P4 -","4","1","","Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe","Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts","IUCrJ","2017","4","4","","","10.1107/S2052252517004262","","","0.71073","MoKα","","0.035","0.0242","","","0.0581","0.0629","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1546014","11.7183","0.001","13.4322","0.0012","14.8978","0.0013","113.429","0.011","107.498","0.01","101.366","0.01","1913","0.4","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H22 Cl2 F18 I2 O3 -","- C33 H22 Cl2 F18 I2 O3 -","- C66 H44 Cl4 F36 I4 O6 -","2","1","","Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe","Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts","IUCrJ","2017","4","4","","","10.1107/S2052252517004262","","","0.71073","MoKα","","0.0526","0.0309","","","0.0561","0.0621","","","","","","1.014","","","","has coordinates,has disorder","301779","2025-08-18","16:06:50",""
"1546015","15.4248","0.0007","15.4248","0.0007","15.4248","0.0007","90","","90","","90","","3669.9","0.3","103","2","103","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C36 H24 B0.5 Br5.5 F8 -","- C36 H24 B0.537 Br5.463 F8.144 -","- C144 H96 B2.148 Br21.852 F32.576 -","4","0.166667","","Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe","Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts","IUCrJ","2017","4","4","","","10.1107/S2052252517004262","","","0.71073","MoKα","","0.0434","0.0297","","","0.0516","0.054","","","","","","1.107","","","","has coordinates","196623","2020-10-21","18:00:00",""
"1546016","15.2905","0.0008","15.2905","0.0008","15.2905","0.0008","90","","90","","90","","3574.9","0.3","103","2","103","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C36 H24 B Br3 Cl2 F10 -","- C36 H24 B Br3 Cl2 F10 -","- C144 H96 B4 Br12 Cl8 F40 -","4","0.166667","","Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe","Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts","IUCrJ","2017","4","4","","","10.1107/S2052252517004262","","","0.71073","MoKα","","0.0374","0.0246","","","0.0489","0.0517","","","","","","1.011","","","","has coordinates","196623","2020-10-21","18:00:00",""
"1546017","8.1574","0.0011","10.0848","0.0014","10.157","0.0016","89.158","0.005","72.819","0.004","66.607","0.005","727.64","0.19","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 B Br F4 O2 -","- C14 H12 B Br F4 O2 -","- C28 H24 B2 Br2 F8 O4 -","2","1","","Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe","Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts","IUCrJ","2017","4","4","","","10.1107/S2052252517004262","","","0.71073","MoKα","","0.0496","0.0338","","","0.0697","0.0745","","","","","","1.02","","","","has coordinates","196623","2020-10-21","18:00:00",""
"1546113","22.206","0.003","22.206","0.003","8.692","0.002","90","","90","","90","","4286.1","1.3","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H18 B F10 N -","- C24 H18 B F10 N -","- C192 H144 B8 F80 N8 -","8","1","","Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine","Validation of experimental charge-density refinement strategies: when do we overfit?","IUCrJ","2017","4","4","","","10.1107/S2052252517005103","","","0.71073","MoKα","","0.0371","0.0298","","","0.0792","0.0835","","","","","","1.124","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546114","22.206","0.003","22.206","0.003","8.692","0.002","90","","90","","90","","4286.1","1.3","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H18 B F10 N -","- C24 H18 B F10 N -","- C192 H144 B8 F80 N8 -","8","1","","Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine","Validation of experimental charge-density refinement strategies: when do we overfit?","IUCrJ","2017","4","4","","","10.1107/S2052252517005103","","","0.71073","MoKα","","0.0186","0.0183","","","","0.0157","0.0117","","","","","1.102","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546115","10.9323","0.0007","14.5698","0.001","21.091","0.0014","90","","90","","90","","3359.4","0.4","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H23 P S -","- C20 H23 P S -","- C160 H184 P8 S8 -","8","1","","Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine","Validation of experimental charge-density refinement strategies: when do we overfit?","IUCrJ","2017","4","4","","","10.1107/S2052252517005103","","","0.71073","MoKα","","0.0326","0.0238","","","0.0839","0.0904","","","","","","1.106","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546116","10.932","0.002","14.57","0.002","21.091","0.003","90","","90","","90","","3359.4","0.9","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H23 P S -","- C20 H23 P S -","- C160 H184 P8 S8 -","8","1","","Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine","Validation of experimental charge-density refinement strategies: when do we overfit?","IUCrJ","2017","4","4","","","10.1107/S2052252517005103","","","0.71073","MoKα","","0.0186","0.0183","","","","0.0157","0.0117","","","","","1.204","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546261","28.685","0.015","6.783","0.003","13.975","0.007","90","","94.175","0.007","90","","2712","2","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4(N,N-Dimethylamino)pyridinium 3-Nitrobenzoate","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C112 H120 N24 O32 -","8","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt–cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0403","0.0383","","","0.1097","0.1119","","","","","","1.099","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546262","28.86","0.02","6.791","0.005","14.243","0.01","90","","95.4097","0.001","90","","2779","3","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4(N,N-Dimethylamino)pyridinium 3-Nitrobenzoate","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C112 H120 N24 O32 -","8","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt–cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0564","0.0498","","","0.1347","0.1414","","","","","","1.081","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546263","8.439","0.006","14.091","0.009","12.167","0.008","90","","95.5","0.011","90","","1440.2","1.7","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Ethylpyridinium 3,5-Dinitrobenzoate","","","- C14 H13 N3 O6 -","- C14 H13 N3 O6 -","- C56 H52 N12 O24 -","4","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt–cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0426","0.04","","","0.1134","0.1248","","","","","","1.143","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546264","8.574","0.009","14.346","0.015","12.19","0.013","90","","94.44","0.013","90","","1495","3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Ethylpyridinium 3,5-Dinitrobenzoate","","","- C14 H13 N3 O6 -","- C14 H13 N3 O6 -","- C56 H52 N12 O24 -","4","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt–cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0626","0.0555","","","0.1606","0.1737","","","","","","1.135","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546265","6.631","0.005","7.032","0.006","14.216","0.012","87.967","0.017","88.58","0.03","80.207","0.018","652.7","0.9","110","","110","","","","","","","","","4","P -1","-P 1","2","3-Ethylpyridine 4-Nitrobenzoic acid","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt–cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0477","0.0427","","","0.1203","0.1338","","","","","","1.105","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546266","6.7302","0.0016","7.1859","0.0017","14.298","0.003","88.158","0.006","88.34","0.006","78.636","0.005","677.4","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","3-Ethylpyridine 4-Nitrobenzoic acid","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt–cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.1077","0.0646","","","0.1644","0.1894","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546267","7.316","0.006","8.942","0.008","11.763","0.009","70.15","0.04","84.67","0.04","76.24","0.04","703","1","110","","110","","","","","","","","","5","P -1","-P 1","2","4-Methylpyridinium Pentachlorophenolate","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt–cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0494","0.0402","","","0.1228","0.1513","","","","","","1.299","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546268","7.389","0.008","8.922","0.008","12.014","0.012","69.82","0.03","85.61","0.04","76.26","0.04","722.1","1.3","298","","298","","","","","","","","","5","P -1","-P 1","2","4-Methylpyridinium Pentachlorophenolate","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt–cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0726","0.0505","","","0.1613","0.1943","","","","","","1.155","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546269","7.3382","0.0008","8.8986","0.0009","11.8245","0.0011","69.945","0.005","85.055","0.005","76.133","0.005","704.17","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","4-Methylpyridine Pentachlorophenol","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt–cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0614","0.0396","","","0.0964","0.1034","","","","","","1.102","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546270","7.3857","0.0008","8.9202","0.001","12.0227","0.0012","69.77","0.003","85.869","0.003","76.324","0.004","722.1","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","4-Methylpyridine Pentachlorophenol","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R.","Exploring the salt–cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering","IUCrJ","2017","4","4","","","10.1107/S205225251700687X","","","0.71073","MoKα","","0.0936","0.0466","","","0.1136","0.1288","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546304","22.232","0.006","15.058","0.004","13.627","0.004","90","","90","","90","","4562","2","","","293","","","","","","","","","5","F m m m","-F 2 2","69","","","","- C5 H13 N O44 Si22 -","- C9 O44 Si22 -","- C36 O176 Si88 -","4","0.125","","Marler, B.; Dehnbostel, N.; Eulert, H. -H.; Gies, H.; Liebau, F.","Studies on clathrasils VIII. Nonasils-[4158], 88SiO2.8M8.8M9.4M20 : synthesis, thermal properties, and crystal structure","Journal of Inclusion Phenomena","1986","4","","339","349","10.1007/BF00656161","","x-ray","0.71069","MoKα","","","","","","0.125","","","","","","","","","","","has coordinates","197766","2020-10-21","18:00:00",""
"1546475","11.5863","0.0005","9.608","0.0002","10.1371","0.0002","90","","118.906","0.002","90","","987.88","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 O11 Sm -","- C3 H6 O11 Sm -","- C12 H24 O44 Sm4 -","4","1","","Matvienko, Alexander A.; Maslennikov, Daniel V.; Zakharov, Boris A.; Sidelnikov, Anatoly A.; Chizhik, Stanislav A.; Boldyreva, Elena V.","Structural aspects of displacive transformations: what can optical microscopy contribute? Dehydration of Sm~2~(C~2~O~4~)~3~·10H~2~O as a case study","IUCrJ","2017","4","5","","","10.1107/S2052252517008624","","","0.71073","MoKα","","0.025","0.022","","","0.0538","0.0562","","","","","","1.043","","","","has coordinates","198455","2020-10-21","18:00:00",""
"1546476","8.4368","0.0003","9.7963","0.0003","9.4986","0.0004","90","","90.393","0.003","90","","785.04","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 O9 Sm -","- C3 H6 O9 Sm -","- C12 H24 O36 Sm4 -","4","1","","Matvienko, Alexander A.; Maslennikov, Daniel V.; Zakharov, Boris A.; Sidelnikov, Anatoly A.; Chizhik, Stanislav A.; Boldyreva, Elena V.","Structural aspects of displacive transformations: what can optical microscopy contribute? Dehydration of Sm~2~(C~2~O~4~)~3~·10H~2~O as a case study","IUCrJ","2017","4","5","","","10.1107/S2052252517008624","","","0.7093","","","0.0469","0.0299","","","0.059","0.0659","","","","","","1.037","","","","has coordinates","198455","2020-10-21","18:00:00",""
"1546775","6.8576","0.0003","8.1526","0.0003","7.7457","0.0002","90","","90","","90","","433.04","0.03","293","2","293","2","22600000","","22600000","","","","","4","P n a m","-P 2c 2n","62","danburite","danburite","","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B8 Ca4 O32 Si8 -","4","0.5","","Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid","A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite","IUCrJ","2017","4","5","","","10.1107/S2052252517010612","","","0.29024","synchrotron","","0.0293","0.0262","","","0.0698","0.0723","","","","","","1.19","","","","has coordinates","199718","2020-10-21","18:00:00",""
"1546776","6.3537","0.0005","7.9518","0.0003","8.0112","0.0003","90","","90","","90","","404.75","0.04","293","2","293","2","25400000","","25400000","","","","","4","P n a m","-P 2c 2n","62","danburite","danburite","","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B8 Ca4 O32 Si8 -","4","0.5","","Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid","A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite","IUCrJ","2017","4","5","","","10.1107/S2052252517010612","","","0.29056","synchrotron","","0.0596","0.0423","","","0.1256","0.1783","","","","","","1.321","","","","has coordinates","199718","2020-10-21","18:00:00",""
"1546777","5.479","0.005","5.532","0.002","6.681","0.006","91.74","0.05","104.57","0.08","95.59","0.05","194.7","0.3","296","2","296","2","25400000","","25400000","","","","","4","P -1","-P 1","2","danburite","danburite","","- B2 Ca O8 Si2 -","- B2 Ca O8 Si2 -","- B4 Ca2 O16 Si4 -","2","1","","Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid","A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite","IUCrJ","2017","4","5","","","10.1107/S2052252517010612","","","0.29024","synchrotron","","0.1154","0.0887","","","0.2368","0.2714","","","","","","1.12","","","","has coordinates","199718","2020-10-21","18:00:00",""
"1546778","7.9989","0.0017","7.8697","0.0014","6.249","0.003","90","","89.75","0.03","90","","393.4","0.2","293","2","293","2","32300000","","32300000","","","","","4","P 1 21/c 1","-P 2ybc","14","danburite","danburite","","- B4 Ca2 O16 Si4 -","- B4 Ca2 O16 Si4 -","- B8 Ca4 O32 Si8 -","2","0.5","","Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid","A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite","IUCrJ","2017","4","5","","","10.1107/S2052252517010612","","","0.29024","synchrotron","","0.1252","0.0979","","","0.2941","0.3095","","","","","","1.175","","","","has coordinates","199718","2020-10-21","18:00:00",""
"1546928","5.1","0.0004","6.285","0.0003","5.4295","0.0003","85.815","0.005","114.456","0.005","104.136","0.005","153.545","0.018","100","","100","","0","","","","","","","4","I 1","I 1","1","","zeta-glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","","","Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G.","ζ-Glycine: insight into the mechanism of a polymorphic phase transition","IUCrJ","2017","4","5","569","574","10.1107/S205225251701096X","powder diffraction","","","Neutron","","","","","","","","","","1.36489","","","","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546929","5.023","0.0004","5.9846","0.0004","5.4946","0.0005","90","","114.654","0.008","90","","150.11","0.02","100","","100","","0","","","","","","","4","P 1 n 1","P -2yac","7","","epsilon-glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","1","","Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G.","ζ-Glycine: insight into the mechanism of a polymorphic phase transition","IUCrJ","2017","4","5","569","574","10.1107/S205225251701096X","powder diffraction","","","Neutron","","","","","","","","","","1.36489","","","","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546930","5.0907","0.0002","6.25954","0.00016","5.3871","0.00019","90","","113.261","0.004","90","","157.709","0.01","290","","290","","0","","","","","","","4","P 1 21 1","P 2yb","4","","beta-glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","1","","Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G.","ζ-Glycine: insight into the mechanism of a polymorphic phase transition","IUCrJ","2017","4","5","569","574","10.1107/S205225251701096X","powder diffraction","","","Neutron","","","","","","","","","","0.977798","","","","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546931","5.1029","0.0016","6.345","0.0012","5.4331","0.0018","85.91","0.03","114.26","0.03","103.55","0.03","155.85","0.09","290","","290","","0","","","","","","","4","I 1","I 1","1","","zeta-glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","","","Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G.","ζ-Glycine: insight into the mechanism of a polymorphic phase transition","IUCrJ","2017","4","5","569","574","10.1107/S205225251701096X","powder diffraction","","","Neutron","","","","","","","","","","0.977798","","","","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1547808","8.0683","0.0004","10.7464","0.0006","15.6155","0.0008","90","","90.89","0.002","90","","1353.78","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Cl2 N3 O2 -","- C13 H9 Cl2 N3 O2 -","- C52 H36 Cl8 N12 O8 -","4","1","ED5012","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.0404","0.0327","","","0.0861","0.0916","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547809","15.441","0.003","8.3179","0.0016","10.6014","0.0018","90","","90","","90","","1361.6","0.4","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Cl2 N3 O2 -","- C13 H9 Cl2 N3 O2 -","- C52 H36 Cl8 N12 O8 -","4","1","ED5012","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.0263","0.0245","","","0.0616","0.0626","","","","","","1.096","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547810","8.6916","0.0006","10.2641","0.0007","15.4965","0.001","90","","90.186","0.002","90","","1382.46","0.16","338","2","338","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Cl2 N3 O2 -","- C13 H9 Cl2 N3 O2 -","- C52 H36 Cl8 N12 O8 -","4","1","ED5012","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.0934","0.0811","","","0.2905","0.2943","","","","","","1.535","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547811","8.266","0.002","10.917","0.002","15.734","0.003","90","0.03","95.82","0.03","90","0.03","1412.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3,5-dibromo-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-dibromo-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Br2 N3 O2 -","- C13 H9 Br2 N3 O2 -","- C52 H36 Br8 N12 O8 -","4","1","","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71075","MoKα","","0.0664","0.047","","","0.0954","0.1028","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547812","9.8084","0.0007","10.7751","0.0008","13.9516","0.0009","103.219","0.003","94.907","0.003","91.018","0.003","1429.11","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","(E)-N'-(3,5-dibromo-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-dibromo-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Br2 N3 O2 -","- C13 H9 Br2 N3 O2 -","- C52 H36 Br8 N12 O8 -","4","2","","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.0591","0.0478","","","0.1102","0.118","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547813","8.2475","0.0009","10.8035","0.0011","15.7971","0.0015","90","","96.098","0.003","90","","1399.6","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3-bromo-5-chloro-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3-bromo-5-chloro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Br Cl N3 O2 -","- C13 H9 Br Cl N3 O2 -","- C52 H36 Br4 Cl4 N12 O8 -","4","1","","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.0391","0.0354","","","0.0963","0.099","","","","","","1.077","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547814","8.651","0.002","10.446","0.003","15.68","0.004","90","","94.116","0.011","90","","1413.3","0.6","368","2","368","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3-bromo-5-chloro-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3-bromo-5-chloro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 Br Cl N3 O2 -","- C13 H9 Br Cl N3 O2 -","- C52 H36 Br4 Cl4 N12 O8 -","4","1","","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.135","0.0878","","","0.1796","0.2015","","","","","","1.143","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547815","8.2946","0.0005","11.2673","0.0006","16.2177","0.001","90","","97.993","0.002","90","","1500.95","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3,5-diiodo-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-diiodo-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 I2 N3 O2 -","- C13 H9 I2 N3 O2 -","- C52 H36 I8 N12 O8 -","4","1","","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71073","MoKα","","0.0307","0.0272","","","0.067","0.0698","","","","","","1.111","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547816","7.897","0.002","10.396","0.002","14.989","0.003","90","0.03","92.27","0.03","90","0.03","1229.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-N'-(3,5-difluoro-2-hydroxybenzylidene)isonicotinohydrazide","(E)-N'-(3,5-difluoro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H9 F2 N3 O2 -","- C13 H9 F2 N3 O2 -","- C52 H36 F8 N12 O8 -","4","1","","Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini","Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions","IUCrJ","2017","4","6","812","823","10.1107/S2052252517014658","","","0.71075","MoKα","","0.0716","0.0457","","","0.1088","0.1229","","","","","","1.096","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548317","6.991","0.005","10.778","0.005","15.575","0.005","90","","90","","90","","1173.6","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Cu N4 O5 -","- C8 H12 Cu N4 O5 -","- C32 H48 Cu4 N16 O20 -","4","1","","Carlos Carbonell; Kyriakos C. Stylianou; Jordi Hernando; Emi Evangelio; Sarah A. Barnett; Saju Nettikadan; Inhar Imaz; Daniel Maspoch","Femtolitre chemistry assisted by microfluidic pen lithography","Nature Communications","2013","4","","2173","","10.1038/ncomms3173","","","0.71073","MoKα","","0.1272","0.069","","","0.1471","0.1805","","","","","","0.913","","","","has coordinates","203780","2020-10-21","18:00:00",""
"1548318","8.768","0.005","15.22","0.005","18.86","0.005","90","","90","","90","","2516.8","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 N8 Ni O13 -","- C16 H36 N8 Ni O13 -","- C64 H144 N32 Ni4 O52 -","4","1","","Carlos Carbonell; Kyriakos C. Stylianou; Jordi Hernando; Emi Evangelio; Sarah A. Barnett; Saju Nettikadan; Inhar Imaz; Daniel Maspoch","Femtolitre chemistry assisted by microfluidic pen lithography","Nature Communications","2013","4","","2173","","10.1038/ncomms3173","","","0.71073","MoKα","","0.1234","0.0926","","","0.2144","0.2404","","","","","","1.037","","","","has coordinates","203781","2020-10-21","18:00:00",""
"1548323","9.1469","0.0018","10.368","0.002","12.092","0.002","86.48","0.03","88.75","0.03","75.41","0.03","1107.6","0.4","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 Cl18 S4 -","- C44 Cl18 S4 -","- C44 Cl18 S4 -","1","0.5","","Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen","Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons","Nature Communications","2013","4","","2646","","10.1038/ncomms3646","","","1.54178","CuKα","","0.1578","0.091","","","0.2284","0.2833","","","","","","1.066","","","","has coordinates","203786","2020-10-21","18:00:00",""
"1548324","12.861","0.002","28.435","0.004","10.629","0.003","90","","97.155","0.018","90","","3856.8","1.4","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C48 Cl18 -","- C48 Cl18 -","- C192 Cl72 -","4","0.5","","Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen","Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons","Nature Communications","2013","4","","2646","","10.1038/ncomms3646","","","1.54184","CuKα","","0.0988","0.0825","","","0.239","0.2542","","","","","","1.143","","","","has coordinates","203787","2020-10-21","18:00:00",""
"1548325","27.683","0.006","21.998","0.004","21.006","0.004","90","","91.15","0.03","90","","12789","4","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C60 Cl22 -","- C60 Cl22 -","- C480 Cl176 -","8","1","","Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen","Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons","Nature Communications","2013","4","","2646","","10.1038/ncomms3646","","","0.71073","MoKα","","0.0978","0.0651","","","0.1289","0.1397","","","","","","0.925","","","","has coordinates","203788","2020-10-21","18:00:00",""
"1548326","20.4128","0.0007","22.9777","0.0006","15.0794","0.0005","90","","108.949","0.004","90","","6689.5","0.4","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C60 Cl24 -","- C60 Cl24 -","- C240 Cl96 -","4","0.5","","Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen","Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons","Nature Communications","2013","4","","2646","","10.1038/ncomms3646","","","1.54184","CuKα","","0.0479","0.0369","","","0.0908","0.0959","","","","","","0.994","","","","has coordinates","203789","2020-10-21","18:00:00",""
"1548327","36.715","0.004","22.1591","0.0012","24.607","0.003","90","","116.242","0.014","90","","17956","4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C96 H3 Cl27 -","- C96 H3 Cl27 -","- C768 H24 Cl216 -","8","1","","Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen","Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons","Nature Communications","2013","4","","2646","","10.1038/ncomms3646","","","1.54184","CuKα","","0.1245","0.062","","","0.1431","0.1681","","","","","","0.811","","","","has coordinates","203790","2020-10-21","18:00:00",""
"1548329","23.7764","0.0005","14.2049","0.0006","16.3214","0.0004","90","","90","","90","","5512.4","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C72 H120 Au Br4 K O68 -","- C72 H120 Au Br4 K O68 -","- C144 H240 Au2 Br8 K2 O136 -","2","0.5","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","1.54178","CuKα","","0.1097","0.1072","","","0.2817","0.2835","","","","","","1.129","","","","has coordinates","203814","2020-10-21","18:00:00",""
"1548330","16.2732","0.0009","14.186","0.0008","23.6996","0.0012","90","","90.041","0.004","90","","5471.1","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H115 Au Cl4 K O68 -","- C72 H115 Au Cl4 K O68 -","- C144 H230 Au2 Cl8 K2 O136 -","2","1","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","0.71073","MoKα","","0.1064","0.0674","","","0.1694","0.1867","","","","","","0.987","","","","has coordinates,has disorder","203815","2020-10-21","18:00:00",""
"1548331","15.8246","0.0004","24.5009","0.0006","19.0924","0.0005","90","","108.401","0.001","90","","7024","0.3","109","2","109.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H143 Au Br4 K O72 -","- C84 H143 Au Br4 K O72 -","- C168 H286 Au2 Br8 K2 O144 -","2","1","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","1.54184","CuKα","","0.0829","0.08","","","0.218","0.2225","","","","","","1.032","","","","has coordinates,has disorder","203816","2020-10-21","18:00:00",""
"1548332","15.7337","0.0003","24.3445","0.0005","19.2645","0.0004","90","","108.748","0.001","90","","6987.4","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H134 Au0.79 Cl3.36 K O92 -","- C84 H134 Au0.786 Cl3.3586 K O92 -","- C168 H268 Au1.572 Cl6.7172 K2 O184 -","2","1","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","1.54178","CuKα","","0.0618","0.0601","","","0.1614","0.163","","","","","","1.058","","","","has coordinates,has disorder","203817","2020-10-21","18:00:00",""
"1548333","23.6711","0.0011","23.6711","","22.7697","0.0014","90","","90","","90","","12758.3","1","100","2","100","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C144 H240 Au Br4 O124 -","- C144 H240 Au Br4 O124 -","- C288 H480 Au2 Br8 O248 -","2","0.25","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","0.71073","MoKα","","0.1909","0.0822","","","0.2141","0.2461","","","","","","0.832","","","","has coordinates","203818","2020-10-21","18:00:00",""
"1548334","23.6973","0.0003","23.6973","0.0003","22.8929","0.0004","90","","90","","90","","12855.8","0.3","100","2","100.01","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C144 H240 Au Cl4 O120 -","- C144 H240 Au Cl4 O120 -","- C288 H480 Au2 Cl8 O240 -","2","0.25","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","1.54184","CuKα","","0.0615","0.0542","","","0.1643","0.1696","","","","","","1.061","","","","has coordinates,has disorder","203819","2020-10-21","18:00:00",""
"1548335","17","0.0011","17","0.0011","17","0.0011","90","","90","","90","","4913","0.6","135","2","135","2","","","","","","","synthesis as described","5","I -4 3 m","I -4 2 3","217","","NOF-1","","- C6 H4 N6 O4 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Stephane Diring; Dan Ohtan Wang; Chiwon Kim; Mio Kondo; Yong Chen; Susumu Kitagawa; Ken-ichiro Kamei; Shuhei Furukawa","Localized cell stimulation by nitric oxide using a photoactive porous coordination polymer platform","Nature Communications","2013","4","","2684","","10.1038/ncomms3684","","","0.71075","MoKα","","0.0747","0.0746","","","0.1731","0.1731","","","","","","1.231","","","","has coordinates","203820","2020-10-21","18:00:00",""
"1548336","23.132","0.003","23.132","0.003","15.528","0.003","90","","90","","120","","7195.7","1.9","243","2","243","2","","","","","","","synthesis as described","5","R -3 m :H","-R 3 2""","166","","NOF-2 ?","","- C8 H8 N6 O4 Zn -","- C8 H8 N6 O4 Zn -","- C144 H144 N108 O72 Zn18 -","18","0.5","","Stephane Diring; Dan Ohtan Wang; Chiwon Kim; Mio Kondo; Yong Chen; Susumu Kitagawa; Ken-ichiro Kamei; Shuhei Furukawa","Localized cell stimulation by nitric oxide using a photoactive porous coordination polymer platform","Nature Communications","2013","4","","2684","","10.1038/ncomms3684","","","0.710735","MoKα","","0.0589","0.0577","","","0.1767","0.1777","","","","","","1.143","","","","has coordinates,has disorder","203821","2020-10-21","18:00:00",""
"1548337","14.268","0.003","4.5707","0.0011","10.746","0.003","90","","90","","90","","700.8","0.3","123","2","123","2","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","","NOF-3","","- C4 H3 N3 O4 Zn -","- C4 H3 N3 O4 Zn -","- C16 H12 N12 O16 Zn4 -","4","1","","Stephane Diring; Dan Ohtan Wang; Chiwon Kim; Mio Kondo; Yong Chen; Susumu Kitagawa; Ken-ichiro Kamei; Shuhei Furukawa","Localized cell stimulation by nitric oxide using a photoactive porous coordination polymer platform","Nature Communications","2013","4","","2684","","10.1038/ncomms3684","","","0.71075","MoKα","","0.0175","0.0172","","","0.0465","0.0468","","","","","","1.075","","","","has coordinates","203822","2020-10-21","18:00:00",""
"1548351","14.339","0.0026","14.3374","0.0026","14.3642","0.0013","90","","90","","90","","2953","0.8","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Fe4 Na4 O36 P12 -","- Fe4 Na4 O36 P12 -","- Fe16 Na16 O144 P48 -","4","1","","Xinghao Lin; Yanming Zhao; Youzhong Dong; Quan Kuang","Synthesis and structural data of a Fe-base sodium metaphosphate compound, NaFe(PO3)3","Data in Brief","2015","4","","217","221","10.1016/j.dib.2015.05.022","powder diffraction","x-ray","1.5406","","","","","","","","","0.10545","","1.6","","","","","","","has coordinates","203863","2020-10-21","18:00:00",""
"1548424","8.7123","0.0017","8.7388","0.0017","14.342","0.003","72.586","0.004","73.955","0.004","62.928","0.004","915","0.3","","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 Cu N5 O5 -","- C19 H16 Cu N5 O5 -","- C38 H32 Cu2 N10 O10 -","2","1","","Isolda Roger; Claire Wilson; Hans M. Senn; Stephen Sproules; Mark D. Symes","An investigation into the unusual linkage isomerization and nitrite reduction activity of a novel tris(2-pyridyl) copper complex","Royal Society Open Science","2017","4","","170593","","10.1098/rsos.170593","","x-ray","0.71073","MoKα","","","0.055","","","0.141","","","","","","","1.13","","","","has coordinates","204160","2020-10-21","18:00:00",""
"1550458","11.7085","0.0003","16.9319","0.0003","15.2399","0.0004","90","","105.324","0.0019","90","","2913.85","0.12","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido[1,1-(diphenylphosphino)hydrazide]palladium(II) dichloromethane monosolvate","","- C25 H24 Cl4 N2 P2 Pd -","- C25 H24 Cl4 N2 P2 Pd -","- C100 H96 Cl16 N8 P8 Pd4 -","4","1","SJ4198","Höhne, Martha; Aluri, Bhaskar R.; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","Dichlorido[1,1-(diphenylphosphino)hydrazide]palladium(II) dichloromethane monosolvate","IUCrData","2019","4","1","x181803","","10.1107/S2414314618018035","","","0.71073","MoKα","","0.0277","0.0222","","","0.0559","0.0569","","","","","","1","","","","has coordinates,has Fobs","213469","2020-10-21","18:00:00",""
"1550459","5.7323","0.0003","9.2537","0.0005","21.6899","0.0012","90","","91.168","0.005","90","","1150.3","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-chloro-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C12 H14 Cl N O3 -","- C12 H14 Cl N O3 -","- C48 H56 Cl4 N4 O12 -","4","1","SJ4197","Rodriguez-Vega, Gibran; Aguirre, Gerardo; Chávez, Daniel","Ethyl 4-chloro-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate","IUCrData","2019","4","1","x190016","","10.1107/S2414314619000166","","x-ray","0.71073","MoKα","","0.0515","0.0438","","","0.0972","0.1012","","","","","","1.092","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550460","12.241","0.0004","5.9386","0.0002","25.2112","0.0009","90","","90.317","0.003","90","","1832.69","0.11","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","2-[(<i>E</i>)-{[3-(1<i>H</i>-Imidazol-1-yl)propyl]imino}methyl]-4-[(<i>E</i>)-(4-methylphenyl)diazenyl]phenol","","","- C20 H21 N5 O -","- C20 H21 N5 O -","- C80 H84 N20 O4 -","4","1","HB4279","Slassi, Siham; Stetsiuk, Oleh; Amine, Amina; Aarjane, Mohammed; El-Ghayoury, Abdelkrim; Zouihri, Hafid; Yamni, Khalid","2-[(<i>E</i>)-{[3-(1<i>H</i>-Imidazol-1-yl)propyl]imino}methyl]-4-[(<i>E</i>)-(4-methylphenyl)diazenyl]phenol","IUCrData","2019","4","1","x190036","","10.1107/S2414314619000361","","","1.54184","CuKα","","0.0931","0.0842","","","0.234","0.2445","","","","","","1.079","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550461","9.0801","0.0004","15.4598","0.0007","10.092","0.0004","90","","109.453","0.001","90","","1335.81","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,5-Diphenyl-<i>cis</i>-penta-2,4-dienoic acid","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","HB4275","Pineda, Leslie W.; Amey, Adam; Cabezas, Jorge A.","5,5-Diphenyl-<i>cis</i>-penta-2,4-dienoic acid","IUCrData","2019","4","1","x181799","","10.1107/S2414314618017996","","","0.71073","MoKα","","0.0625","0.0453","","","0.0943","0.101","","","","","","1.05","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550462","13.702","0.003","11.349","0.002","28.538","0.006","90","","92.999","0.005","90","","4431.7","1.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 Cl2 N4 O7 -","- C52 H50 Cl2 N4 O7 -","- C208 H200 Cl8 N16 O28 -","4","1","","Lee, Jae Myoung; Kim, Sung Baek; Sim, Wonbo; Lee, Jai Young","25,27-(3,6,9-Trioxaundecane-1,11-dioxy)-26,28-[3-(4-tricyanoethylene)phenyl]-3-aza-pentane-1,5-dioxy)calix[4]arene dichloromethane monosolvate","IUCrData","2019","4","1","x190026","","10.1107/S2414314619000269","","","0.71073","MoKα","","0.1665","0.0613","","","0.1261","0.1754","","","","","","0.88","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550481","16.252","0.003","5.3787","0.0009","27.109","0.004","90","","90.551","0.012","90","","2369.6","0.7","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Bromo-2-(4-chlorophenyl)-3-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C23 H26 Br Cl N6 -","- C23 H26 Br Cl N6 -","- C92 H104 Br4 Cl4 N24 -","4","1","HB4278","Bourichi, Selma; Kandri Rodi, Youssef; Hökelek, Tuncer; Chakroune, Said; Ouzidan, Younes; Capet, Frédéric","6-Bromo-2-(4-chlorophenyl)-3-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2019","4","1","x190053","","10.1107/S2414314619000531","","","0.71073","MoKα","","0.1309","0.0534","","","0.1008","0.1243","","","","","","1.007","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550482","12.2257","0.0004","19.3422","0.0008","19.5199","0.0008","88.061","0.002","72.058","0.002","77.104","0.002","4277.6","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","FeIIITpivPP1-PhyIm2-Triflate","Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvate","","- C95 H90 Cl2 F3 Fe N12 O7 S -","- C95 H90 Cl2 F3 Fe N12 O7 S -","- C190 H180 Cl4 F6 Fe2 N24 O14 S2 -","2","1","PK4022","Li, Jianfeng; Oliver, Allen G.; Scheidt, W. Robert","Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvate","IUCrData","2019","4","1","x190015","","10.1107/S2414314619000154","","","0.71073","MoKα","","0.08","0.0448","","","0.1032","0.1236","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","213120","2020-10-21","18:00:00",""
"1550483","8.3075","0.0003","10.4488","0.0004","15.563","0.0006","90","","92.202","0.002","90","","1349.92","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Rubidium bis(2-methyllactato)borate monohydrate","Poly[aqua[μ~4~-bis(2-methyllactato)borato]rubidium]","","- C8 H14 B O7 Rb -","- C8 H14 B O7 Rb -","- C32 H56 B4 O28 Rb4 -","4","1","WM4095","Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Rubidium bis(2-methyllactato)borate monohydrate","IUCrData","2019","4","1","x190039","","10.1107/S2414314619000397","","","0.71073","MoKα","","0.1106","0.0513","","","0.0879","0.1046","","","","","","1.05","","","","has coordinates,has Fobs","213121","2020-10-21","18:00:00",""
"1550484","10.5467","0.0017","11.6469","0.0019","12.942","0.002","108.321","0.003","102.108","0.003","110.887","0.003","1313.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 6'-cyano-7'-(<i>p</i>-tolyl)-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole]-6'-carboxylate","","- C31 H26 N4 O2 S -","- C31 H26 N4 O2 S -","- C62 H52 N8 O4 S2 -","2","1","BT4080","Muthuselvi, C.; Muthu, M.; Athimoolam, S.; Ravikumar, B.; Pandiarajan, S.; Srinivasan, N.; Krishnakumar, R. V.","Ethyl 6'-cyano-7'-(<i>p</i>-tolyl)-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole]-6'-carboxylate","IUCrData","2019","4","1","x190010","","10.1107/S2414314619000105","","","0.71073","MoKα","","0.0744","0.0612","","","0.1427","0.1513","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","213122","2020-10-21","18:00:00",""
"1550494","8.4638","0.0005","11.1799","0.0007","5.8353","0.0004","90","","90","","90","","552.16","0.06","100","2","100","2","","","","","","","","4","P m a n","-P 2ab 2","53","","Barium hexahydrogen <i>cyclo</i>-tetradecaoxidotetraarsenate(V)","","- As4 Ba H6 O14 -","- As4 Ba H6 O14 -","- As8 Ba2 H12 O28 -","2","0.25","BT4081","Weil, Matthias","The crystal structure of BaH6As4O14 redetermined, revealing the localization of the hydrogen atoms","IUCrData","2019","4","1","x190075","","10.1107/S2414314619000750","","","0.71073","MoKα","","0.019","0.0149","","","0.0314","0.0323","","","","","","1.051","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:43",""
"1550518","14.0201","0.0007","17.4488","0.0008","7.8775","0.0003","90","","90","","90","","1927.1","0.15","296","","296","2","","","","","","","Synthetic","4","P n a 21","P 2c -2n","33","","14-(4-Chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene","","- C27 H17 Cl O -","- C27 H17 Cl O -","- C108 H68 Cl4 O4 -","4","1","","Roy Choudhury, Anuradha; Paul, Satya B.; Choudhury, Sudip","14-(4-Chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene","IUCrData","2019","4","1","x181846","","10.1107/S2414314618018461","","","0.71073","MoKα","","0.0589","0.046","","0.0526","0.0518","0.0526","","","","","","0.6074","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550535","7.2595","0.0008","27.492","0.003","7.963","0.0009","90","","113.072","0.008","90","","1462.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3-Butyl-5-(4-nitrobenzylidene)thiazolidine-2,4-dione","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C56 H56 N8 O16 S4 -","4","1","","Faizi, Md. Serajul Haque; Lone, Mohammad Nadeem; Dege, Necmi; Iskenderov, Turganbay; Malinkin, Sergey","(<i>Z</i>)-3-Butyl-5-(4-nitrobenzylidene)thiazolidine-2,4-dione","IUCrData","2019","4","1","x190094","","10.1107/S2414314619000944","","","0.71073","MoKα","","0.099","0.0479","","","0.1218","0.1407","","","","","","0.833","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550536","12.1865","0.0008","7.6666","0.0005","14.1087","0.0009","90","","111.467","0.002","90","","1226.72","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido(2,2'-methylenedipyridine)zinc(II)","","- C11 H10 Cl2 N2 Zn -","- C11 H10 Cl2 N2 Zn -","- C44 H40 Cl8 N8 Zn4 -","4","1","SJ4199","Siegfried, Adam; McAbee, Brett; Zotov, Vladimir; McMillen, Colin; Hanks, Timothy","Dichlorido(2,2'-methylenedipyridine)zinc(II)","IUCrData","2019","4","1","x190131","","10.1107/S2414314619001317","","","0.71073","MoKα","","0.0224","0.0208","","","0.0569","0.0579","","","","","","1.056","","","","has coordinates,has Fobs","213392","2020-10-21","18:00:00",""
"1550540","10.087","0.003","7.349","0.002","19.442","0.006","90","","101.276","0.006","90","","1413.4","0.7","220","2","220.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2,2'-Bipyridine)(1,2-dicyanoethene-1,2-dithiolato)platinum(II)","","- C14 H8 N4 Pt S2 -","- C14 H8 N4 Pt S2 -","- C56 H32 N16 Pt4 S8 -","4","1","","Nesterov, Vladimir N.; Hu, Jiandu; Reinheimer, Eric W.; Smucker, Bradley W.","(2,2'-Bipyridine)(1,2-dicyanoethene-1,2-dithiolato)platinum(II)","IUCrData","2019","4","1","x190158","","10.1107/S2414314619001585","","","0.71073","MoKα","","0.0431","0.0318","","","0.0752","0.0814","","","","","","1.049","","","","has coordinates,has Fobs","213446","2020-10-21","18:00:00",""
"1550541","17.8925","0.0015","7.4168","0.0006","11.5006","0.0009","90","","102.061","0.008","90","","1492.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-[5-(4-Chlorophenyl)isoxazol-3-yl]-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine","","- C17 H11 Cl N4 O2 -","- C17 H11 Cl N4 O2 -","- C68 H44 Cl4 N16 O8 -","4","1","HB4282","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Hayal Alotaibi, Mohammad; Hegazy, Amany S.; Kariuki, Benson M.","5-[5-(4-Chlorophenyl)isoxazol-3-yl]-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine","IUCrData","2019","4","1","x190136","","10.1107/S2414314619001366","","","0.71073","MoKα","","0.0734","0.0453","","","0.0966","0.1116","","","","","","1.059","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550542","16.8696","0.0012","7.5226","0.0006","9.054","0.0006","90","","90","","90","","1148.98","0.14","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","[(1,2,5,6-η)-Cycloocta-1,5-diene]bis(thiocyanato-κ<i>S</i>)platinum(II)","","- C10 H12 N2 Pt S2 -","- C10 H12 N2 Pt S2 -","- C40 H48 N8 Pt4 S8 -","4","0.5","TK4054","Ha, Kwang","[(1,2,5,6-η)-Cycloocta-1,5-diene]bis(thiocyanato-κ<i>S</i>)platinum(II)","IUCrData","2019","4","1","x190162","","10.1107/S2414314619001627","","","0.71073","MoKα","","0.0202","0.0187","","","0.0437","0.0445","","","","","","1.105","","","","has coordinates,has Fobs","213448","2020-10-21","18:00:00",""
"1550543","7.185","0.0006","7.8479","0.0007","8.9932","0.0008","68.572","0.001","88.393","0.002","74.975","0.001","454.66","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Dipotassium tetrahydroxidopentaoxidotetraborate monohydrate","","- B4 H6 K2 O10 -","- B4 H6 K2 O10 -","- B8 H12 K4 O20 -","2","1","WM5482","Dhatchaiyini, M. K.; NizamMohideen, M.; Rajasekar, G.; Bhaskaran, A.","Dipotassium tetrahydroxidopentaoxidotetraborate monohydrate","IUCrData","2019","4","1","x190128","","10.1107/S2414314619001287","","","1.54178","CuKα","","0.0307","0.0287","","","0.0715","0.0729","","","","","","1.079","","","","has coordinates,has Fobs","213449","2020-10-21","18:00:00",""
"1550567","7.7143","0.0005","28.907","0.002","7.501","0.0005","90","","90","","90","","1672.7","0.19","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","LH4043","Lee, Ji Hye; Koh, Dongsoo","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","IUCrData","2019","4","2","x190179","","10.1107/S2414314619001792","","","0.71073","MoKα","","0.0966","0.0446","","","0.0772","0.1052","","","","","","0.946","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550568","9.959","0.002","10.49","0.002","23.62","0.005","90","","90","","90","","2467.6","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diethyl 3,3'-[(4-fluorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate)","","- C29 H25 F N2 O4 -","- C29 H25 F N2 O4 -","- C116 H100 F4 N8 O16 -","4","1","","Li, Yu-Long; Zhou, Jin; Zhong, Kai-Long; Shi, Xing-Hao; Zhang, Zhi-Yuan; Jiang, Hong; Sun, Hong-Shun","Diethyl 3,3'-[(4-fluorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate)","IUCrData","2019","4","2","x190134","","10.1107/S2414314619001342","","","0.71073","MoKα","","0.1395","0.0573","","","0.0791","0.0999","","","","","","0.954","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550583","12.3919","0.0007","10.7917","0.0006","19.9794","0.0012","90","","103.138","0.002","90","","2601.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Potassium bis(2-methyllactato)borate hemihydrate","Poly[aquabis[μ~3~-bis(2-methyllactato)borato]dipotassium] [K(C~8~H~12~BO~6~)(H~2~O)~0.5~]","","- C8 H13 B K O6.5 -","- C8 H13 B K O6.5 -","- C64 H104 B8 K8 O52 -","8","1","WM4100","Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Potassium bis(2-methyllactato)borate hemihydrate","IUCrData","2019","4","2","x190202","","10.1107/S2414314619002025","","","0.71073","MoKα","","0.0705","0.0493","","","0.1081","0.1192","","","","","","1.161","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550584","10.6258","0.0005","10.2217","0.0005","18.0993","0.0008","90","","90.798","0.002","90","","1965.64","0.16","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 4-(1<i>H</i>-indol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","ZQ4034","Lee, Ji Hye; Koh, Dongsoo","Diethyl 4-(1<i>H</i>-indol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","IUCrData","2019","4","2","x190193","","10.1107/S2414314619001937","","","0.71073","MoKα","","0.1074","0.0634","","","0.1689","0.1983","","","","","","1.025","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550587","7.9243","0.0005","23.7112","0.0009","24.927","0.0015","90","","90","","90","","4683.7","0.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2<i>H</i>-chromen-2-one","","- C27 H17 Cl F N3 O2 S -","- C27 H17 Cl F N3 O2 S -","- C216 H136 Cl8 F8 N24 O16 S8 -","8","1","HB4283","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M.","3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2<i>H</i>-chromen-2-one","IUCrData","2019","4","2","x190170","","10.1107/S2414314619001706","","","0.71073","MoKα","","0.1193","0.0581","","","0.1491","0.1841","","","","","","1.044","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550588","5.2879","0.0003","26.3742","0.001","15.7872","0.0007","90","","98.293","0.004","90","","2178.73","0.18","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","5-[(4-Chlorophenyl)diazenyl]-2-[5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-methylthiazole","","- C23 H17 Cl F N5 O S -","- C23 H17 Cl F N5 O S -","- C92 H68 Cl4 F4 N20 O4 S4 -","4","1","HB4284","El-Hiti, Gamal A; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","5-[(4-Chlorophenyl)diazenyl]-2-[5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-methylthiazole","IUCrData","2019","4","2","x190211","","10.1107/S2414314619002116","","","0.71073","MoKα","","0.0621","0.0424","","","0.0996","0.113","","","","","","1.035","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550628","9.7894","0.0007","10.983","0.0006","17.2596","0.0008","93.49","0.004","95.702","0.005","107.729","0.006","1750.67","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C20 H17 N5 O -","- C20 H17 N5 O -","- C80 H68 N20 O4 -","4","2","HB4285","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M.","3-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","IUCrData","2019","4","2","x190217","","10.1107/S2414314619002177","","","0.71073","MoKα","","0.1244","0.0647","","","0.1441","0.1862","","","","","","1.018","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550645","12.2574","0.001","7.6912","0.0008","22.821","0.003","90","","90","","90","","2151.4","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(4-Fluorophenyl)-5-methyl-<i>N</i>'-{1-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethylidene}-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","","- C22 H21 F N8 O -","- C22 H21 F N8 O -","- C88 H84 F4 N32 O4 -","4","1","ZQ4035","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","1-(4-Fluorophenyl)-5-methyl-<i>N</i>'-{1-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethylidene}-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","IUCrData","2019","4","2","x190261","","10.1107/S241431461900261X","","","0.71073","MoKα","","0.1054","0.0615","","","0.1527","0.1782","","","","","","1.078","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550646","11.6975","0.0006","11.0671","0.0005","16.5395","0.001","90","","100.303","0.006","90","","2106.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-8<i>H</i>-indeno[1,2-<i>d</i>]thiazole","","- C25 H17 Cl F N3 S -","- C25 H17 Cl F N3 S -","- C100 H68 Cl4 F4 N12 S4 -","4","1","LH4044","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M.","2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-8<i>H</i>-indeno[1,2-<i>d</i>]thiazole","IUCrData","2019","4","2","x190218","","10.1107/S2414314619002189","","","0.71073","MoKα","","0.0839","0.0484","","","0.1076","0.1288","","","","","","1.033","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550647","6.493","0.0007","13.8065","0.001","27.539","0.002","90","","90","","90","","2468.8","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)thiazole","","- C28 H23 F N6 S -","- C28 H23 F N6 S -","- C112 H92 F4 N24 S4 -","4","1","HB4287","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)thiazole","IUCrData","2019","4","2","x190240","","10.1107/S2414314619002402","","","0.71073","MoKα","","0.0975","0.054","","","0.1072","0.1296","","","","","","1.018","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550648","10.432","0.002","11.297","0.002","12.688","0.002","90","","90","","90","","1495.3","0.5","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-1-benzoyl-5-benzylidene-2-hydroxy-4-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carbonitrile","","- C19 H12 N2 O3 -","- C19 H12 N2 O3 -","- C76 H48 N8 O12 -","4","1","EB4001","Onami, Yuika; Siddaraju, Budanur P.; Anilkumar, Haleyur G.; Yathirajan, Hemmige S.; Haraguchi, Tomoyuki; Akitsu, Takashiro","(<i>Z</i>)-1-Benzoyl-5-benzylidene-2-hydroxy-4-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carbonitrile","IUCrData","2019","4","2","x190220","","10.1107/S2414314619002207","","","0.71073","MoKα","","0.0731","0.0713","","","0.1716","0.1732","","","","","","1.076","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550649","7.7981","0.001","7.2249","0.0008","8.9956","0.0011","90","","110.38","0.014","90","","475.09","0.11","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[{μ~3~-2-[bis(2-hydroxyethyl)amino]ethan-1-ol}sodium] chloride]","","- C6 H15 Cl N Na O3 -","- C6 H15 Cl N Na O3 -","- C12 H30 Cl2 N2 Na2 O6 -","2","1","WM4096","Krabbe, Christina; Gock, Vinusuya; Lutter, Michael; Jurkschat, Klaus","The sodium chloride complex <i>catena</i>-poly[[{μ~3~-2-[bis(2-hydroxyethyl)amino]ethan-1-ol}sodium] chloride], N(CH~2~CH~2~OH)~3~·NaCl","IUCrData","2019","4","2","x190238","","10.1107/S2414314619002384","","x-ray","0.71073","MoKα","","0.0532","0.0315","","","0.0412","0.0433","","","","","","0.703","","","","has coordinates,has Fobs","213816","2020-10-21","18:00:00",""
"1550687","6.508","0.004","10.524","0.006","16.047","0.01","90","","90.507","0.01","90","","1099","1.1","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-Iodophenyl)pentanedinitrile","","- C11 H9 I N2 -","- C11 H9 I N2 -","- C44 H36 I4 N8 -","4","1","PK4025","Nanpo, Yuuki; Okuno, Tsunehisa","3-(4-Iodophenyl)pentanedinitrile","IUCrData","2019","4","2","x190282","","10.1107/S2414314619002827","","","0.71075","MoKα","","0.0855","0.0684","","","0.0896","0.0951","","","","","","1.207","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550688","9.871","0.004","10.973","0.005","18.067","0.007","90","","91.908","0.014","90","","1955.8","1.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Butyl 3-(3,5-di-<i>tert</i>-butyl-4-hydroxyphenyl)propanoate","","- C21 H34 O3 -","- C21 H34 O3 -","- C84 H136 O12 -","4","1","GG4002","Kihle, Jan Braly; Görbitz, Carl Henrik","Butyl 3-(3,5-di-<i>tert</i>-butyl-4-hydroxyphenyl)propanoate","IUCrData","2019","4","2","x190289","","10.1107/S241431461900289X","","","0.71073","MoKα","","0.0529","0.0407","","","0.1046","0.1111","","","","","","1.029","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550753","8.1712","0.0006","9.5435","0.0008","11.9771","0.001","104.231","0.004","99.49","0.004","100.705","0.004","867.57","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Chloridobis(ethane-1,2-diamine)(4-fluoroaniline)cobalt(III) dichloride monohydrate","","- C10 H24 Cl3 Co F N5 O -","- C9.999 H23.998 Cl3 Co F N5 O -","- C19.998 H47.996 Cl6 Co2 F2 N10 O2 -","2","1","WM4097","SubbiahPandi, A.; AaminaNaaz, Y.; Mahalakshmi, C. Maharaja; Anbalagan, K.","Chloridobis(ethane-1,2-diamine)(4-fluoroaniline)cobalt(III) dichloride monohydrate","IUCrData","2019","4","3","x190327","","10.1107/S2414314619003274","","","0.71073","MoKα","","0.0215","0.0193","","","0.0552","0.0578","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","214148","2020-10-21","18:00:00",""
"1550772","6.6631","0.0006","15.2297","0.0017","22.431","0.003","90","","96.39","0.009","90","","2262.1","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4-(Benzofuran-2-yl)-2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazole","","- C26 H17 Cl F N3 O S -","- C26 H17 Cl F N3 O S -","- C104 H68 Cl4 F4 N12 O4 S4 -","4","1","HB4289","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M.","4-(Benzofuran-2-yl)-2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazole","IUCrData","2019","4","3","x190359","","10.1107/S2414314619003596","","","0.71073","MoKα","","0.1247","0.0603","","","0.1345","0.1708","","","","","","1.03","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550832","5.033","0.005","11.682","0.01","15.433","0.015","96.228","0.019","91.207","0.014","94.27","0.02","899.1","1.5","93","","93","","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-[5-(Diphenylamino)penta-2,4-diyn-1-yl]benzamide","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C48 H36 N4 O2 -","2","1","SJ4201","Ozaki, Koji; Okuno, Tsunehisa","A triclinic polymorph of N-[5-(diphenylamino)penta-2,4-diyn-1-yl]benzamide","IUCrData","2019","4","4","x190371","","10.1107/S2414314619003717","","","0.71075","MoKα","","0.086","0.0582","","","0.1195","0.1356","","","","","","1.051","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550833","8.0664","0.0004","10.0476","0.0005","12.5229","0.0005","79.554","0.004","81.137","0.004","70.517","0.005","936.17","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-Ethoxy-5-phenyl-1<i>H</i>-1,2,4-triazole","","- C10 H11 N3 O -","- C10 H11 N3 O -","- C40 H44 N12 O4 -","4","2","SU4171","Hebishy, Ali M.; Elgemeie, Galal H.; Salama, Hagar T.; Jones, Peter G.","3-Ethoxy-5-phenyl-1<i>H</i>-1,2,4-triazole","IUCrData","2019","4","4","x190378","","10.1107/S241431461900378X","","","1.54184","CuKα","","0.0406","0.0344","","","0.0849","0.0902","","","","","","1.049","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550843","30.3184","0.0013","11.0972","0.0005","8.0354","0.0003","90","","93.127","0.005","90","","2699.5","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Methyl-2-phenylpent-2-enal thiosemicarbazone","","- C13 H17 N3 S -","- C13 H17 N3 S -","- C104 H136 N24 S8 -","8","1","HB4290","Anitha, L.; Saritha, S. R.; Layana, S. R.; Sithambaresan, M.; Sudarsanakumar, M. R.","4-Methyl-2-phenylpent-2-enal thiosemicarbazone","IUCrData","2019","4","4","x190436","","10.1107/S241431461900436X","","","0.71073","MoKα","","0.0813","0.052","","","0.1202","0.1351","","","","","","1.064","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550844","12.8109","0.0013","19.708","0.002","11.4152","0.0012","90","","108.649","0.001","90","","2730.8","0.5","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","4-[4-(Azidomethyl)phenyl]-2,6-diphenylpyridine","","- C24 H18 N4 -","- C24 H18 N4 -","- C144 H108 N24 -","6","3","HB4273","Cheng, Xingwang; Du, Yanan; Guo, Hui; Chen, Zhiyuan; Tian, Yupeng","4-[4-(Azidomethyl)phenyl]-2,6-diphenylpyridine","IUCrData","2019","4","4","x190295","","10.1107/S2414314619002955","","","0.71073","MoKα","","0.0545","0.0431","","","0.0982","0.1046","","","","","","1.054","","","","has coordinates,has Fobs","214505","2020-10-21","18:00:00",""
"1550845","16.8114","0.0006","16.8114","0.0006","17.8288","0.0006","90","","90","","90","","5038.8","0.3","153","1","153","1","","","","","","","","4","I 41/a","-I 4ad","88","","2,8-Dimethyl-5,11-bis[3-(methylsulfanyl)propyl]-1<i>H</i>,7<i>H</i>-diimidazo[<i>c</i>,<i>h</i>][1,6]diazecine","","- C20 H34 N6 S2 -","- C20 H34 N6 S2 -","- C160 H272 N48 S16 -","8","","TK4057","Gasque, Laura; Zermeño, Edgar; Bernès, Sylvain","2,8-Dimethyl-5,11-bis[3-(methylsulfanyl)propyl]-1<i>H</i>,7<i>H</i>-diimidazo[<i>c</i>,<i>h</i>][1,6]diazecine","IUCrData","2019","4","4","x190441","","10.1107/S2414314619004413","","x-ray","0.56083","AgKα","","0.0622","0.0476","","","0.1299","0.1379","","","","","","0.973","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:23",""
"1550846","5.9435","0.0003","22.7785","0.0007","15.091","0.0009","90","","124.087","0.008","90","","1692.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-(3,4-Dimethylphenyl)-1-[5-(phenylethynyl)thiophen-2-yl]methanimine","","- C21 H17 N S -","- C21 H17 N S -","- C84 H68 N4 S4 -","4","1","BH4045","Crundwell, Guy; Crundwell, Hugh Ian","(<i>E</i>)-<i>N</i>-(3,4-Dimethylphenyl)-1-[5-(phenylethynyl)thiophen-2-yl]methanimine","IUCrData","2019","4","4","x190363","","10.1107/S2414314619003638","","x-ray","0.71073","MoKα","","0.0809","0.0461","","","0.1134","0.1311","","","","","","1.028","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550879","10.3403","0.0003","10.3926","0.0003","14.1442","0.0003","78.9928","0.0014","83.6739","0.0015","60.2736","0.0011","1295.45","0.06","300","1","300","1","","","","","","","","4","P -1","-P 1","2","","2-[(<i>tert</i>-Butyldiphenylsilyl)oxy]-1,2-diphenylethan-1-one","","- C30 H30 O2 Si -","- C30 H30 O2 Si -","- C60 H60 O4 Si2 -","2","1","LH4045","Di Grandi, Martin J.; Taylor, Brett; Corfield, Peter W. R.","The crystal structure of 2-[(<i>tert</i>-butyldiphenylsilyl)oxy]-1,2-diphenylethan-1-one","IUCrData","2019","4","4","x190478","","10.1107/S2414314619004784","","","0.7107","MoKα","","0.0513","0.0434","","","0.1174","0.123","","","","","","1.044","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550880","8.4771","0.0002","16.0726","0.0004","15.7922","0.0003","90","","103.958","0.001","90","","2088.14","0.08","180","2","180","2","","","","","","","","5","P 1 c 1","P -2yc","7","","1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate","","- C21 H25 Cl N2 O4 -","- C21 H25 Cl N2 O4 -","- C84 H100 Cl4 N8 O16 -","4","2","SJ4202","Wang, Ruiyao; Aquino, Manuel A.S.","1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate","IUCrData","2019","4","4","x190494","","10.1107/S2414314619004942","","","0.71073","MoKα","","0.0473","0.0378","","","0.0918","0.0987","","","","","","1.037","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550896","6.4849","0.0003","14.7539","0.0007","8.3224","0.0004","90","","97.295","0.0013","90","","789.82","0.06","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Propane-1,3-diammonium molybdate","","- C3 H12 Mo N2 O4 -","- C3 H12 Mo N2 O4 -","- C12 H48 Mo4 N8 O16 -","4","1","WM4103","Wane, Alioune; Kama, Antoine Blaise; Diop, Mouhamadou Birame; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène","Propane-1,3-diammonium molybdate","IUCrData","2019","4","4","x190500","","10.1107/S2414314619005005","","x-ray","0.71073","MoKα","","0.0164","0.016","","","0.0403","0.0405","","","","","","1.111","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550914","11.5029","0.0003","31.8022","0.0009","10.8445","0.0003","90","","113.84","0.002","90","","3628.63","0.18","250","1","250","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Aquatris[1-(2,4-dioxo-2<i>H</i>-1-benzopyran-3-ylidene)ethan-1-olato]ethanolgadolinium(III) ethanol monosolvate","","- C37 H35 Gd O15 -","- C37 H35 Gd O15 -","- C148 H140 Gd4 O60 -","4","1","IM4004","Gasque, Laura; Guzmán-Méndez, Óscar; Bernès, Sylvain","Aquatris[1-(2,4-dioxo-2<i>H</i>-1-benzopyran-3-ylidene)ethan-1-olato]ethanolgadolinium(III) ethanol monosolvate","IUCrData","2019","4","4","x190493","","10.1107/S2414314619004930","","x-ray","0.56083","AgKα","","0.0534","0.0337","","","0.0723","0.0784","","","","","","1.013","","","","has coordinates,has Fobs","214706","2020-10-21","18:00:00",""
"1550945","24.2914","0.0017","14.3317","0.001","7.5014","0.0005","90","","90","","90","","2611.5","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","1,1'-Bis(4-bromophenyl)-3,3'-diphenylferrocene","","","- C34 H24 Br2 Fe -","- C34 H24 Br2 Fe -","- C136 H96 Br8 Fe4 -","4","1","HB4292","Peloquin, Andrew J.; Smith, Madelyn B.; Balaich, Gary J.; Iacono, Scott T.","1,1'-Bis(4-bromophenyl)-3,3'-diphenylferrocene","IUCrData","2019","4","4","x190487","","10.1107/S2414314619004875","","","0.71073","MoKα","","0.0637","0.0461","","","0.0954","0.1033","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","214796","2020-10-21","18:00:00",""
"1550946","10.8596","0.001","15.1262","0.001","7.904","0.0003","90","","103.749","0.01","90","","1261.14","0.16","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-Dichloro-3',4'-dimethoxybiphenyl","","- C14 H12 Cl2 O2 -","- C14 H12 Cl2 O2 -","- C56 H48 Cl8 O8 -","4","1","SJ4203","Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim","3,5-Dichloro-3',4'-dimethoxybiphenyl","IUCrData","2019","4","4","x190518","","10.1107/S2414314619005182","","","0.71073","MoKα","","0.0376","0.0298","","","0.0694","0.0721","","","","","","1.09","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550962","11.0914","0.0004","13.6412","0.0004","11.9739","0.0004","90","","113.863","0.004","90","","1656.78","0.11","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>R</i>,<i>R</i>/<i>S</i>,<i>S</i>)-9-Benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","1","NK4001","Forsyth, Craig M.; Nazarian, Zohreh","(<i>R</i>,<i>R</i>/<i>S</i>,<i>S</i>)-9-Benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione","IUCrData","2019","4","4","x190520","","10.1107/S2414314619005200","","","1.54184","CuKα","","0.0379","0.0348","","","0.0859","0.0882","","","","","","1.053","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1550970","10.1398","0.0005","10.8359","0.0006","11.2588","0.0005","90","","115.687","0.003","90","","1114.8","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ~4~-bis(2-methyllactato)borato]sodium]","","- C8 H12 B Na O6 -","- C8 H12 B Na O6 -","- C32 H48 B4 Na4 O24 -","4","1","WM4104","Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Sodium bis(2-methyllactato)borate","IUCrData","2019","4","5","x190593","","10.1107/S2414314619005935","","","0.71073","MoKα","","0.0534","0.0349","","","0.0828","0.0957","","","","","","1.038","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:44",""
"1551017","11.8362","0.0007","11.7958","0.0007","7.8459","0.0005","90","","91.673","0.001","90","","1094.96","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-{[(2-Hydroxyethyl)sulfanyl]methyl}quinolin-8-ol","","- C12 H13 N O2 S -","- C12 H13 N O2 S -","- C48 H52 N4 O8 S4 -","4","1","VM4040","Rbaa, Mohamed; Ramli, Youssef; Lakhrissi, Younes; Mague, Joel; Lakhrissi, Brahim","5-{[(2-Hydroxyethyl)sulfanyl]methyl}quinolin-8-ol","IUCrData","2019","4","5","x190625","","10.1107/S2414314619006254","","","0.71073","MoKα","","0.0331","0.0317","","","0.0912","0.0927","","","","","","1.048","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551018","11.3335","0.0002","32.6839","0.0009","15.9743","0.0004","90","","105.876","0.001","90","","5691.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Carbonyl-2:3κ^2^<i>C</i>:<i>C</i>-octacarbonyl-1κ^3^<i>C</i>, 2κ<i>C</i>,3κ<i>C</i>,4κ^3^<i>C</i>-bis[1:2μ-(η^6^:η^5^);3:4μ-(η^5^:η^6^)-2-methylindenyl]-1,4-dichromium(0)-2,3-dirhodium(III)}(<i>Rh</i>—<i>Rh</i>)","","- C29 H18 Cr2 O9 Rh2 -","- C29 H18 Cr2 O9 Rh2 -","- C232 H144 Cr16 O72 Rh16 -","8","2","NR4002","Werlé, Christophe; Bailly, Corinne; Karmazin, Lydia; Djukic, Jean-Pierre","μ-Carbonyl-bis(carbonyl{η^5^-[tricarbonyl(η^6^-2-methylindenyl)chromium(0)]rhodium(III)})(<i>Rh</i>—<i>Rh</i>)","IUCrData","2019","4","5","x190573","","10.1107/S241431461900573X","","","0.71073","MoKα","","0.1077","0.0565","","","0.0967","0.1124","","","","","","1.034","","","","has coordinates,has Fobs","215044","2020-10-21","18:00:00",""
"1551019","16.0043","0.0003","7.4649","0.0002","23.5799","0.0005","90","","95.161","0.001","90","","2805.68","0.11","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-Amino-6-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate","","- C12 H11 Cl N2 O6 S -","- C12 H11 Cl N2 O6 S -","- C96 H88 Cl8 N16 O48 S8 -","8","1","IS4031","Manickam, R.; Rajakannan, V.; Prabhaharan, M.; Srinivasan, G.","2-Amino-6-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate","IUCrData","2019","4","5","x190566","","10.1107/S2414314619005662","","","0.71073","MoKα","","0.0297","0.0279","","","0.0777","0.0785","","","","","","1.144","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551020","10.8313","0.0004","7.618","0.0003","24.1463","0.0008","90","","90","","90","","1992.38","0.13","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-[(1<i>R</i>*,2<i>R</i>*)-1,2-Dihydroxy-1,2-dihydronaphthalen-1-yl]ethan-1-one","","- C12 H12 O3 -","- C12 H12 O3 -","- C96 H96 O24 -","8","1","HB4297","Lough, Alan J.; Hill, Jarvis; Tam, William","1-[(1<i>R</i>*,2<i>R</i>*)-1,2-Dihydroxy-1,2-dihydronaphthalen-1-yl]ethan-1-one","IUCrData","2019","4","5","x190609","","10.1107/S2414314619006096","","","1.54178","CuKα","","0.0346","0.0341","","","0.0873","0.0877","","","","","","1.053","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551058","7.774","0.0006","8.4772","0.0005","9.6599","0.0007","66.595","0.006","77.917","0.006","76.113","0.006","562.49","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>'-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-2-(3-nitrophenyl)acetimidamide","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C20 H26 N6 O6 -","2","1","HB4291","Ruan, Yao; Zhao, Hui","(<i>E</i>)-<i>N</i>'-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-2-(3-nitrophenyl)acetimidamide","IUCrData","2019","4","5","x190607","","10.1107/S2414314619006072","","","0.71073","MoKα","","0.0693","0.0585","","","0.1452","0.1572","","","","","","1.084","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551059","7.3573","0.0003","11.2345","0.0005","12.9215","0.0005","74.215","0.004","78.085","0.004","85.178","0.004","1005.17","0.08","288.9","0.1","288.9","0.1","","","","","","","","6","P -1","-P 1","2","","Poly[[decaaquabis(μ~6~-1,8-disulfonato-9<i>H</i>-carbazole-3,6-dicarboxylato)di-μ~3~-hydroxy-pentazinc] decahydrate]","","- C28 H32 N2 O32 S4 Zn5 -","- C28 H32 N2 O32 S4 Zn5 -","- C28 H32 N2 O32 S4 Zn5 -","1","0.5","TK4056","Yu, Jiamei; Wang, De-Chao; Wang, Bin","Polymeric poly[[decaaquabis(μ~6~-1,8-disulfonato-9<i>H</i>-carbazole-3,6-dicarboxylato)di-μ~3~-hydroxy-pentazinc] decahydrate]","IUCrData","2019","4","5","x190667","","10.1107/S2414314619006679","","","1.54184","CuKα","","0.0518","0.0427","","","0.1151","0.1293","","","","","","1.081","","","","has coordinates,has Fobs","215176","2020-10-21","18:00:00",""
"1551060","6.8542","0.0004","19.9526","0.0011","7.6704","0.0004","90","","95.762","0.003","90","","1043.7","0.1","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3-Dichloro-3',4'-dihydroxybiphenyl","4-(2,3-Dichlorophenyl)benzene-1,2-diol","","- C12 H8 Cl2 O2 -","- C12 H8 Cl2 O2 -","- C48 H32 Cl8 O8 -","4","1","SJ4205","Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim","2,3-Dichloro-3',4'-dihydroxybiphenyl","IUCrData","2019","4","5","x190662","","10.1107/S241431461900662X","","","0.71073","MoKα","","0.0776","0.0456","","","0.0678","0.0741","","","","","","1.048","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551061","21.1667","0.0008","6.6243","0.0003","11.3247","0.0004","90","","91.509","0.002","90","","1587.34","0.11","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethylammonium hydrogen oxalate–oxalic acid (2/1)","","- C10 H20 N2 O12 -","- C10 H20 N2 O12 -","- C40 H80 N8 O48 -","4","0.5","BV4024","Toure, Assane; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène","Ethylammonium hydrogen oxalate–oxalic acid (2/1)","IUCrData","2019","4","5","x190635","","10.1107/S2414314619006357","","x-ray","0.71073","MoKα","","0.0333","0.0281","","","0.0706","0.0747","","","","","","1.029","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551062","6.944","0.0008","12.1354","0.0016","8.8283","0.0011","90","","98.888","0.011","90","","735.01","0.16","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-5,5-dimethylthiazol-4(5<i>H</i>)-one","","- C5 H8 N2 O S -","- C5 H8 N2 O S -","- C20 H32 N8 O4 S4 -","4","1","SJ4204","Josey, Daniel; Shank, Nathaniel; Padgett, Clifford W.","2-Amino-5,5-dimethylthiazol-4(5<i>H</i>)-one","IUCrData","2019","4","5","x190613","","10.1107/S2414314619006138","","x-ray","0.71073","MoKα","","0.0857","0.0509","","","0.1106","0.1417","","","","","","1.082","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551069","7.0128","0.0007","7.9882","0.0008","9.0732","0.0009","74.121","0.004","86.734","0.004","79.29","0.004","480.36","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","6-Amino-2-iminiumyl-4-oxo-1,2,3,4-tetrahydropyrimidin-5-aminium sulfate monohydrate","","- C4 H11 N5 O6 S -","- C4 H11 N5 O6 S -","- C8 H22 N10 O12 S2 -","2","1","RZ4030","Tapmeyer, Lukas; Prill, Dragica","6-Amino-2-iminiumyl-4-oxo-1,2,3,4-tetrahydropyrimidin-5-aminium sulfate monohydrate","IUCrData","2019","4","5","x190689","","10.1107/S2414314619006898","","","1.54178","CuKα","","0.0866","0.0797","","","0.2624","0.2812","","","","","","1.399","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551092","6.9477","0.0004","10.8782","0.0007","20.8769","0.0011","89.11","0.003","87.052","0.003","78.876","0.003","1546.13","0.16","150","2","150.39","","","","","","","","","5","P -1","-P 1","2","","Dodecan-1-aminium sulfate trihydrate","","- C24 H62 N2 O7 S -","- C24 H62 N2 O7 S -","- C48 H124 N4 O14 S2 -","2","1","ZQ4036","Liu, Jiapan; Di, Youying; Chen, Fengying","Dodecan-1-aminium sulfate trihydrate","IUCrData","2019","4","5","x190704","","10.1107/S2414314619007041","","","0.71073","MoKα","","0.0753","0.0467","","","0.1106","0.1253","","","","","","1.024","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551159","8.4487","0.0002","23.7284","0.0005","10.4078","0.0002","90","","104.698","0.001","90","","2018.22","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C24 H26 S2","1,3-Bis{[(2,6-dimethylphenyl)sulfanyl]methyl}benzene","","- C24 H26 S2 -","- C24 H26 S2 -","- C96 H104 S8 -","4","1","HB4295","Garita-Salazar, Bruno; Pineda, Leslie W.","1,3-Bis{[(2,6-dimethylphenyl)sulfanyl]methyl}benzene","IUCrData","2019","4","5","x190677","","10.1107/S2414314619006771","","","1.54178","CuKα","","0.035","0.0304","","","0.0741","0.0765","","","","","","1.054","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551194","8.6061","0.0002","7.582","0.0001","7.7252","0.0002","90","","105.88","0.0011","90","","484.843","0.018","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Barium oxidotellurate(IV) monohydrate","","- Ba H2 O4 Te -","- Ba H2 O4 Te -","- Ba4 H8 O16 Te4 -","4","1","HB4298","Weil, Matthias","Redetermination of the crystal structure of BaTeO3(H2O), including the localization of the hydrogen atoms","IUCrData","2019","4","5","x190770","","10.1107/S2414314619007703","","","0.71069","MoKα","","0.029","0.0199","","","0.0388","0.0415","","","","","","1.006","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551244","7.0848","0.0008","26.422","0.003","6.2664","0.0007","90","","90","","90","","1173","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(<i>E</i>)-4-Iodo-2-[(phenylimino)methyl]phenol","","- C13 H10 I N O -","- C13 H10 I N O -","- C52 H40 I4 N4 O4 -","4","1","TK4058","Swetha, G.; Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J.","(E)-4-Iodo-2-[(phenylimino)methyl]phenol","IUCrData","2019","4","6","x190788","","10.1107/S2414314619007880","","","0.71073","MoKα","","0.0806","0.0802","","","0.2228","0.2233","","","","","","1.182","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551354","23.194","0.003","9.825","0.001","16.475","0.002","90","","106.154","0.013","90","","3606.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate]bis(thiocyanato)cobalt(II)","","- C32 H44 Co N6 O4 S2 -","- C32 H44 Co N6 O4 S2 -","- C128 H176 Co4 N24 O16 S8 -","4","1","HB4299","Nithya, Palanivelu; Govindarajan, Subbiah; Simpson, Jim","Bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate]bis(thiocyanato)cobalt(II)","IUCrData","2019","4","6","x190812","","10.1107/S2414314619008125","","","1.54184","CuKα","","0.1533","0.0943","","","0.223","0.2625","","","","","","1.07","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:23",""
"1551364","9.757","0.002","19.778","0.004","20.491","0.004","113.73","0.03","95.26","0.03","90.27","0.03","3600.9","1.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl2 Co N6 O8 -","- C36 H30 Cl2 Co N6 O8 -","- C144 H120 Cl8 Co4 N24 O32 -","4","2","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","0.71073","MoKα","","0.2604","0.1614","","","0.4041","0.4562","","","","","","1.363","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551365","21.469","0.004","31.178","0.006","34.437","0.007","90","","96.87","0.03","90","","22885","8","180","2","180","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C390 H330 Cl20 Co10 N60 O76 -","- C390 H330 Cl16 Co10 N60 O60 -","- C780 H660 Cl32 Co20 N120 O120 -","2","0.5","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","0.71073","MoKα","","0.1992","0.157","","","0.3787","0.413","","","","","","1.424","","","","has coordinates","215883","2020-10-21","18:00:00",""
"1551366","70.5877","0.0007","79.1494","0.001","80.8163","0.001","90","","90","","90","","451519","9","120","2","120","2","","","","","","","","9","F d d d :2","-F 2uv 2vw","70","","","","- C422 H343.5 Cl Co10 F114 N76 O46 P7.5 S23 -","- C403.5 H343.5 Cl Co10 F58.5 N67 O9 P7.5 S7.51 -","- C12912 H10992 Cl32 Co320 F1872 N2144 O288 P240 S240.32 -","32","1","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","1.54184","CuKα","","0.3405","0.2186","","","0.5124","0.5616","","","","","","1.736","","","","has coordinates,has disorder","215884","2020-10-21","18:00:00",""
"1551367","70.759","0.003","79.508","0.002","81.13","0.002","90","","90","","90","","456430","3","100","2","100","2","","","","","","","","9","F d d d :2","-F 2uv 2vw","70","","","","- C423 H345 Cl Co10 F111 N76 O47 P7 S23 -","- C407.5 H345 Cl Co10 F64.5 N68.5 O16 P7 S11.26 -","- C13040 H11040 Cl32 Co320 F2064 N2192 O512 P224 S360.32 -","32","1","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","0.6889","","","0.2646","0.2374","","","0.5673","0.5905","","","","","","1.657","","","","has coordinates,has disorder","215885","2020-10-21","18:00:00",""
"1551368","24.7578","0.0002","24.7578","0.0002","41.4172","0.001","90","","90","","120","","21985.5","0.6","120","2","120","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C188 H168 Co4 F24 N34 O24 S8 -","- C171.5 H143.997 Co4 F22.5 N28 O22.5 S7.5 -","- C686 H575.988 Co16 F90 N112 O90 S30 -","4","0.333333","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","1.54178","CuKα","","0.1226","0.1027","","","0.2835","0.3019","","","","","","1.113","","","","has coordinates","287876","2023-11-30","07:26:55",""
"1551420","14.82958","0.000064","14.82958","0.000064","11.773164","0.000051","90","","90","","90","","2589.11","0.019","293","2","293","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C16 H20 Al2 O16 -","- C16 Al2 O22.5 -","- C64 Al8 O90 -","4","0.25","","Sihai Yang; Junliang Sun; Anibal J. Ramirez-Cuesta; Samantha K. Callear; William I. F. David; Daniel P. Anderson; Ruth Newby; Alexander J. Blake; Julia E. Parker; Chiu C. Tang; Martin Schroder","Selectivity and direct visualization of carbon dioxide and sulfur dioxide in a decorated porous host","Nature Chemistry","2012","4","","887","894","10.1038/nchem.1457","","","0.826949","","","","","","","","","","","","","","","","","","has coordinates","215958","2020-10-21","18:00:00",""
"1551421","14.824318","0.000064","14.824318","0.000064","11.805704","0.000051","90","","90","","90","","2594.43","0.019","273","2","273","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C19.2 H8 Al2 O16.4 -","- C19.1862 H8 Al2 O16.3722 -","- C76.7448 H32 Al8 O65.4888 -","4","0.25","","Sihai Yang; Junliang Sun; Anibal J. Ramirez-Cuesta; Samantha K. Callear; William I. F. David; Daniel P. Anderson; Ruth Newby; Alexander J. Blake; Julia E. Parker; Chiu C. Tang; Martin Schroder","Selectivity and direct visualization of carbon dioxide and sulfur dioxide in a decorated porous host","Nature Chemistry","2012","4","","887","894","10.1038/nchem.1457","","","0.826126","","","","","","","","","","","","","","","","","","has coordinates","215959","2020-10-21","18:00:00",""
"1551422","14.84741","0.0001","14.84741","0.0001","11.805642","0.000082","90","","90","","90","","2602.5","0.03","273","2","273","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C16 H8 Al2 O18 S4 -","- C16 H8 Al2 O18 S4 -","- C64 H32 Al8 O72 S16 -","4","0.25","","Sihai Yang; Junliang Sun; Anibal J. Ramirez-Cuesta; Samantha K. Callear; William I. F. David; Daniel P. Anderson; Ruth Newby; Alexander J. Blake; Julia E. Parker; Chiu C. Tang; Martin Schroder","Selectivity and direct visualization of carbon dioxide and sulfur dioxide in a decorated porous host","Nature Chemistry","2012","4","","887","894","10.1038/nchem.1457","","","0.826126","","","","","","","","","","","","","","","","","","has coordinates","215960","2020-10-21","18:00:00",""
"1551445","14.7115","0.0016","4.9598","0.0006","17.3105","0.0019","90","","112.96","0.002","90","","1163","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Amino-6-chloropyridine–glutaric acid (1/1)","6-Chloropyridin-2-amine–pentanedioic acid (1/1)","","- C10 H13 Cl N2 O4 -","- C10 H13 Cl N2 O4 -","- C40 H52 Cl4 N8 O16 -","4","1","IS4033","Manickam, R.; Prabhaharan, M.; Jagadeesan, G.; Rajakannan, V.; Srinivasan, G.","2-Amino-6-chloropyridine–glutaric acid (1/1)","IUCrData","2019","4","6","x190781","","10.1107/S2414314619007818","","","0.71073","MoKα","","0.043","0.0326","","","0.0861","0.0935","","","","","","0.927","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:24",""
"1551865","20.572","0.003","3.9052","0.0005","14.811","0.003","90","","110.95","0.02","90","","1111.2","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-Methyluracil","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","1","RZ4031","Portalone, Gustavo","6-Methyluracil: a redetermination of polymorph (II)","IUCrData","2019","4","6","x190861","","10.1107/S2414314619008617","","x-ray","0.710689","MoKα","","0.0582","0.0483","","","0.1255","0.1333","","","","","","1.109","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1551882","15.1905","0.0002","14.3672","0.0002","7.2454","0.0001","90","","96.624","0.001","90","","1570.72","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N5 O2 -","- C17 H17 N5 O2 -","- C68 H68 N20 O8 -","4","1","","Debdas Ray; Justin T. Foy; Russell P. Hughes; Ivan Aprahamian","A switching cascade of hydrazone-based rotary switches through coordination-coupled proton relays","Nature Chemistry","2012","4","","757","762","10.1038/nchem.1408","","x-ray","1.54178","CuKα","","0.0389","0.0333","","","0.0877","0.0911","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551883","7.9462","0.001","27.204","0.003","10.9195","0.0013","90","","96.293","0.002","90","","2346.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 F6 N5 O6 -","- C21 H19 F6 N5 O6 -","- C84 H76 F24 N20 O24 -","4","1","","Debdas Ray; Justin T. Foy; Russell P. Hughes; Ivan Aprahamian","A switching cascade of hydrazone-based rotary switches through coordination-coupled proton relays","Nature Chemistry","2012","4","","757","762","10.1038/nchem.1408","","x-ray","0.71073","MoKα","","0.1297","0.0719","","","0.1922","0.2328","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551884","7.838","0.002","12.963","0.004","13.201","0.004","106.371","0.003","91.445","0.004","93.803","0.003","1282.7","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Cl2 N6 O11 Zn -","- C19 H22 Cl2 N6 O11 Zn -","- C38 H44 Cl4 N12 O22 Zn2 -","2","1","","Debdas Ray; Justin T. Foy; Russell P. Hughes; Ivan Aprahamian","A switching cascade of hydrazone-based rotary switches through coordination-coupled proton relays","Nature Chemistry","2012","4","","757","762","10.1038/nchem.1408","","x-ray","0.71073","MoKα","","0.0614","0.0456","","","0.1195","0.1309","","","","","","1.027","","","","has coordinates","216526","2020-10-21","18:00:00",""
"1551885","7.7908","0.0008","12.9951","0.0013","15.0442","0.0015","65.683","0.001","84.903","0.001","86.633","0.001","1382.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 Cl2 N6 O10 Zn -","- C23 H24 Cl2 N6 O10 Zn -","- C46 H48 Cl4 N12 O20 Zn2 -","2","1","","Debdas Ray; Justin T. Foy; Russell P. Hughes; Ivan Aprahamian","A switching cascade of hydrazone-based rotary switches through coordination-coupled proton relays","Nature Chemistry","2012","4","","757","762","10.1038/nchem.1408","","x-ray","0.71073","MoKα","","0.0432","0.0326","","","0.0803","0.0866","","","","","","1.056","","","","has coordinates","216527","2020-10-21","18:00:00",""
"1552047","17.3865","0.001","25.0127","0.0011","15.0576","0.0011","90","","90","","90","","6548.3","0.7","120","2","120","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C88 H56 Fe2 N9 -","- C88 H56 Fe2 N9 -","- C352 H224 Fe8 N36 -","4","0.5","","Evgeny V. Kudrik; Pavel Afanasiev; Leonardo X. Alvarez; Patrick Dubourdeaux; Martin Clemancey; Jean-Marc Latour; Genevieve Blondin; Denis Bouchu; Florian Albrieux; Sergey E. Nefedov; Alexander B. Sorokin","An N-bridged high-valent diiron-oxo species on a porphyrin platform that can oxidize methane","Nature Chemistry","2012","4","","1024","1029","10.1038/nchem.1471","","","0.71073","MoKα","","0.0605","0.0439","","","0.0805","0.0856","","","","","","0.881","","","","has coordinates","216865","2020-10-21","18:00:00",""
"1552048","18.928","0.002","18.409","0.003","27.12","0.004","90","","104.089","0.001","90","","9166","2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C120 H96 Fe2 N9 -","- C120 H96 Fe2 N9 -","- C480 H384 Fe8 N36 -","4","0.5","","Evgeny V. Kudrik; Pavel Afanasiev; Leonardo X. Alvarez; Patrick Dubourdeaux; Martin Clemancey; Jean-Marc Latour; Genevieve Blondin; Denis Bouchu; Florian Albrieux; Sergey E. Nefedov; Alexander B. Sorokin","An N-bridged high-valent diiron-oxo species on a porphyrin platform that can oxidize methane","Nature Chemistry","2012","4","","1024","1029","10.1038/nchem.1471","","","0.71073","MoKα","","0.0947","0.0487","","","0.0882","0.0978","","","","","","0.901","","","","has coordinates","216866","2020-10-21","18:00:00",""
"1552081","16.0488","0.0008","11.2984","0.0006","19.648","0.001","90","","112.379","0.004","90","","3294.4","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Iodo(triphenyl)silane","","- C18 H15 I Si -","- C18 H15 I Si -","- C144 H120 I8 Si8 -","8","1","HB4304","Schödel, Frauke; Lerner, Hans-Wolfram; Trageser, Timo; Bolte, Michael","Iodo(triphenyl)silane","IUCrData","2019","4","7","x190959","","10.1107/S2414314619009593","","","0.71073","MoKα","","0.0993","0.0727","","","0.1369","0.1528","","","","","","1.341","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552082","6.3966","0.0009","11.7504","0.0016","13.3579","0.0019","104.407","0.001","96.978","0.001","93.267","0.001","961.3","0.2","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","Poly[diaqua[μ~4~-2-(carboxylatomethoxy)benzoato][μ~2~-2-(carboxylatomethoxy)benzoato]dicadmium(II)]","","- C18 H16 Cd2 O12 -","- C18 H16 Cd2 O12 -","- C36 H32 Cd4 O24 -","2","1","LH4046","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[diaqua[μ4-2-(carboxylatomethoxy)benzoato][μ2-2-(carboxylatomethoxy)benzoato]dicadmium(II)]","IUCrData","2019","4","7","x190953","","10.1107/S2414314619009532","","","0.71073","MoKα","","0.0274","0.0239","","","0.0546","0.0573","","","","","","1.059","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:45",""
"1552104","7.2599","0.0005","9.4979","0.0007","11.9596","0.0008","106.149","0.002","90.236","0.002","108.939","0.002","745.18","0.09","446","2","446","2","","","","","","","","7","P -1","-P 1","2","","Ethyl 4-(4-chloro-3-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C14 H14 Cl F N2 O2 S -","- C14 H14 Cl F N2 O2 S -","- C28 H28 Cl2 F2 N4 O4 S2 -","2","1","HB4301","Shraddha, K. N.; Devika, S.; Begum, Noor Shahina","Ethyl 4-(4-chloro-3-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","IUCrData","2019","4","7","x190960","","10.1107/S241431461900960X","","","0.71073","MoKα","","0.0727","0.0543","","","0.1492","0.158","","","","","","1.03","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552105","7.0809","0.0001","16.7912","0.0003","6.5001","0.0001","90","","90","","90","","772.84","0.02","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Bis(2-methyllactato)borate tetrahydrate","3,3,8,8-Tetramethyl-1,4,6,9-tetraoxa-λ^4^-boraspiro[4.4]nonane-2,7-dione tetrahydrate","","- C8 H20 B O10 -","- C8 H20 B O10 -","- C16 H40 B2 O20 -","2","0.5","","Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Bis(2-methyllactato)borate tetrahydrate","IUCrData","2019","4","7","x190982","","10.1107/S2414314619009829","","","0.71073","MoKα","","0.0383","0.036","","","0.0917","0.0942","","","","","","1.081","","","","has coordinates,has Fobs","217014","2020-10-21","18:00:00",""
"1552106","11.1629","0.0002","8.7778","0.0001","15.3748","0.0003","90","","101.558","0.002","90","","1475.96","0.04","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(2<i>S</i>,3<i>S</i>,4<i>R</i>,4a'<i>R</i>,5<i>R</i>,5a'<i>R</i>,11a'<i>R</i>,12'<i>S</i>,12a'<i>R</i>)-5-(Acetoxymethyl)-2',2',10',10'-tetramethyloctahydro-3<i>H</i>,8'<i>H</i>-spiro[furan-2,7'-[1,3]dioxino[4',5':5,6]pyrano[3,2-<i>d</i>][1,3,6]trioxocine]-3,4,12'-triyl triacetate","","- C26 H38 O15 -","- C26 H38 O15 -","- C52 H76 O30 -","2","1","","Bollard, H. E.; Banwell, M. G.; Ward, J. S.","(2<i>S</i>,3<i>S</i>,4<i>R</i>,4a'<i>R</i>,5<i>R</i>,5a'<i>R</i>,11a'<i>R</i>,12'<i>S</i>,12a'<i>R</i>)-5-(Acetoxymethyl)-2',2',10',10'-tetramethyloctahydro-3<i>H</i>,8'<i>H</i>-spiro[furan-2,7'-[1,3]dioxino[4',5':5,6]pyrano[3,2-<i>d</i>][1,3,6]trioxocine]-3,4,12'-triyl triacetate","IUCrData","2019","4","7","x190986","","10.1107/S2414314619009866","","x-ray","1.54184","CuKα","","0.0376","0.0366","","","0.0965","0.0981","","","","","","1.022","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552113","17.667","0.0004","12.8871","0.0003","11.7476","0.0003","90","","90","","90","","2674.65","0.11","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Dibromido[<i>N</i>-(1-diethylamino-1-oxo-3-phenylpropan-2-yl)-<i>N</i>'-(pyridin-2-yl)imidazol-2-ylidene]palladium(II) dichloromethane monosolvate","","- C22 H26 Br2 Cl2 N4 O Pd -","- C22 H26 Br2 Cl2 N4 O Pd -","- C88 H104 Br8 Cl8 N16 O4 Pd4 -","4","1","RZ4032","Liu, Qilin; Mao, Pu; Yuan, Jinwei; Xiao, Yongmei; Yang, Liangru","Dibromido[<i>N</i>-(1-diethylamino-1-oxo-3-phenylpropan-2-yl)-<i>N</i>'-(pyridin-2-yl)imidazol-2-ylidene]palladium(II) dichloromethane monosolvate","IUCrData","2019","4","7","x190899","","10.1107/S241431461900899X","","x-ray","1.54184","CuKα","","0.0551","0.0486","","","0.1293","0.1379","","","","","","1.031","","","","has coordinates,has Fobs","217103","2020-10-21","18:00:00",""
"1552114","9.384","0.003","11.032","0.004","14.827","0.005","90","","102.609","0.004","90","","1497.9","0.9","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-(Biphenyl-4-yl)-6-hydroxyindan-1-one","","- C21 H16 O2 -","- C21 H16 O2 -","- C84 H64 O8 -","4","1","BH4047","McCoy, Ryan N.; Robertson, Katherine N.; Ylijoki, Kai E. O.","7-(Biphenyl-4-yl)-6-hydroxyindan-1-one","IUCrData","2019","4","7","x190951","","10.1107/S2414314619009519","","","0.71073","MoKα","","0.132","0.0792","","","0.203","0.2334","","","","","","1.077","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552117","13.479","0.003","11.213","0.002","22.552","0.005","90","","90","","90","","3408.5","1.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis(2-(3,5-bis(trifluoromethyl)phenyl)\ hydrazineylidene)-1,2-bis(4-methoxyphenyl)ethane","","- C32 H22 F12 N4 O2 -","- C32 H22 F12 N4 O2 -","- C128 H88 F48 N16 O8 -","4","0.5","HB4306","Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Mukhtarova, Sevinc H.; Mammadova, Gunay Z.; Toze, Flavien A. A.","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis(2-(3,5-bis(trifluoromethyl)phenyl)hydrazineylidene)-1,2-bis(4-methoxyphenyl)ethane including an unknown solvate","IUCrData","2019","4","7","x191010","","10.1107/S2414314619010101","","","0.7879","synchrotron","","0.1153","0.0792","","","0.1897","0.2152","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:25",""
"1552118","5.4399","0.0004","6.3599","0.0004","11.0232","0.0008","96.702","0.001","92.728","0.001","98.599","0.001","373.69","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,2,4,5-Tetrachloro-3,6-diiodobenzene benzene monosolvate","","- C12 H6 Cl4 I2 -","- C12 H6 Cl4 I2 -","- C12 H6 Cl4 I2 -","1","0.5","ZL4031","Bosch, Eric","1,2,4,5-Tetrachloro-3,6-diiodobenzene benzene monosolvate","IUCrData","2019","4","7","x190993","","10.1107/S2414314619009933","","","0.71073","MoKα","","0.0134","0.0131","","","0.0315","0.0317","","","","","","1.094","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552119","14.265","0.008","8.06","0.004","17.564","0.009","90","","90","","90","","2019.4","1.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Amino-6-nitro-1,10-phenanthroline","","- C12 H8 N4 O2 -","- C12 H8 N4 O2 -","- C96 H64 N32 O16 -","8","1","HB4300","Oosthuizen, U.; Schutte-Smith, M.; Visser, Hendrik G.","5-Amino-6-nitro-1,10-phenanthroline","IUCrData","2019","4","7","x191016","","10.1107/S2414314619010162","","","0.71073","MoKα","","0.1332","0.0579","","","","0.1758","","","","","","1.027","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552129","12.7307","0.0016","9.0363","0.0012","7.4742","0.0009","90","","100.924","0.004","90","","844.24","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethan-1-one","","- C8 H5 Cl F3 N O -","- C8 H5 Cl F3 N O -","- C32 H20 Cl4 F12 N4 O4 -","4","1","HB4303","Gao, Jie; Pan, Yangdan; Li, Yahong; Li, Yafei","1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethan-1-one","IUCrData","2019","4","7","x191025","","10.1107/S2414314619010253","","","0.71073","MoKα","","0.0783","0.0432","","","0.093","0.1131","","","","","","1.057","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552130","9.3993","0.0004","13.7266","0.0005","13.8797","0.0006","90","","93.9017","0.0014","90","","1786.61","0.13","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1,4,8,11-Tetraazacyclotetradecane)palladium(II) diiodide monohydrate","","- C10 H26 I2 N4 O Pd -","- C10 H26 I2 N4 O Pd -","- C40 H104 I8 N16 O4 Pd4 -","4","1","WM4111","Ha, Kwang","(1,4,8,11-Tetraazacyclotetradecane)palladium(II) diiodide monohydrate","IUCrData","2019","4","7","x191032","","10.1107/S2414314619010320","","","0.71073","MoKα","","0.0194","0.0174","","","0.0396","0.0406","","","","","","1.116","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552132","5.767","0.0003","8.1908","0.0003","31.6737","0.0009","90","","90","","90","","1496.15","0.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-1-(Benzylselanyl)-3-phenylpropan-2-amine","","- C16 H19 N Se -","- C16 H19 N Se -","- C64 H76 N4 Se4 -","4","1","HB4305","Prabhu Kumar, K. M.; Palakshamurthy, B. S.; Jasinski, J. P.; Butcher, R. J.; Raghavendra Kumar, P.","(<i>S</i>)-1-(Benzylselanyl)-3-phenylpropan-2-amine","IUCrData","2019","4","7","x191029","","10.1107/S2414314619010290","","","1.54178","CuKα","","0.0469","0.0414","","","0.1173","0.1221","","","","","","1.086","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552133","8.3836","0.0003","8.478","0.0003","13.305","0.0004","97.779","0.003","101.929","0.002","114.967","0.002","811.94","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3-(2,5-Dichlorothiophen-3-yl)-5-(2,4-dimethoxyphenyl)-1-methyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C16 H16 Cl2 N2 O2 S -","- C16 H16 Cl2 N2 O2 S -","- C32 H32 Cl4 N4 O4 S2 -","2","1","HB4309","Ibrahim, Mohammad M.; Al-Refai, Mahmoud; Ali, Basem F.; Geyer, Armin; Harms, Klaus; Marsch, Michael","3-(2,5-Dichlorothiophen-3-yl)-5-(2,4-dimethoxyphenyl)-1-methyl-4,5-dihydro-1<i>H</i>-pyrazole","IUCrData","2019","4","7","x191046","","10.1107/S2414314619010460","","","1.54178","CuKα","","0.0519","0.0495","","","0.1345","0.1365","","","","","","1.054","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552134","9.078","0.002","10.473","0.002","12.236","0.003","65.065","0.006","77.42","0.007","65.229","0.007","956.6","0.4","183","2","183.15","","","","","","","","","5","P -1","-P 1","2","1-(mesityl)-3-(benzyl)imidazole-2-silver(I)acetate","Di-μ-acetato-bis{[3-benzyl-1-(2,4,6-trimethylphenyl)imidazol-2-\ ylidene]silver(I)}","","- C42 H46 Ag2 N4 O4 -","- C42 H46 Ag2 N4 O4 -","- C42 H46 Ag2 N4 O4 -","1","0.5","PK4026","Jayaraman, Selvakumar; Castillo Guel, Roberto Alexander; Malek, Kotiba; Arumugam, Kuppuswamy","Di-μ-acetato-bis{[3-benzyl-1-(2,4,6-trimethylphenyl)imidazol-2-ylidene]silver(I)}","IUCrData","2019","4","7","x191003","","10.1107/S2414314619010034","","","0.71073","MoKα","","0.0455","0.0346","","","0.0752","0.0798","","","","","","1.051","","","","has coordinates,has Fobs","217329","2020-10-21","18:00:00",""
"1552135","9.7053","0.0006","11.0901","0.0007","12.4156","0.0008","68.0282","0.0016","81.7012","0.0016","86.4672","0.0016","1226.25","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","8,13-Diisopropyl-10,11-dimethyl-bis([1,3]dioxolo[4',5':6,7]naphtho)[1,2-<i>d</i>;2,1-<i>f</i>][1,3]dioxepine","","- C31 H30 O6 -","- C31 H30 O6 -","- C62 H60 O12 -","2","1","HB4307","Täufer, Amely; Köckritz, Angela; Quint, Stephan; Spannenberg, Anke","8,13-Diisopropyl-10,11-dimethyl-bis([1,3]dioxolo[4',5':6,7]naphtho)[1,2-<i>d</i>;2,1-<i>f</i>][1,3]dioxepine","IUCrData","2019","4","7","x191018","","10.1107/S2414314619010186","","","0.71073","MoKα","","0.0539","0.0454","","","0.1272","0.1375","","","","","","1.052","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552143","9.6314","0.0011","4.8612","0.0006","17.269","0.002","90","","90","","90","","808.54","0.17","173","2","173.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","<i>poly</i>-[μ~4~(4-(Carboxymethyl)benzoato)zinc(II)]","","- C9 H6 O4 Zn -","- C9 H6 O4 Zn -","- C36 H24 O16 Zn4 -","4","1","LH4047","Jia, Jason; LaDuca, Robert L.","Poly[[μ~4~-4-(carboxylatomethyl)benzoato]zinc(II)]","IUCrData","2019","4","7","x191014","","10.1107/S2414314619010149","","","0.71073","MoKα","","0.02","0.0193","","","0.048","0.0485","","","","","","1.074","","","","has coordinates,has Fobs","217382","2020-10-21","18:00:00",""
"1552164","12.8262","0.0002","22.1075","0.0004","28.9552","0.0005","72.349","0.002","79.8","0.002","89.827","0.001","7689","0.2","150","1","150","0.1","","","","","","","","6","P -1","-P 1","2","","Bis(μ~2~-4-nitrophenolato)bis(4-nitrophenolato)di-μ~3~-oxido-octaphenyltetratin chloroform sesquisolvate [+ solvate]","","- C73.5 H57.5 Cl4.5 N4 O14 Sn4 -","- C73.5 H57.5 Cl4.5 N4 O14 Sn4 -","- C294 H230 Cl18 N16 O56 Sn16 -","4","2","","Butler, Patrick","Bis(μ2-4-nitrophenolato)bis(4-nitrophenolato)di-μ3-oxido-octaphenyltetratin chloroform sesquisolvate [+ solvate]: a tetranuclear stannoxane","IUCrData","2019","4","8","x191067","","10.1107/S2414314619010678","","x-ray","1.54184","CuKα","","0.0942","0.0691","","","0.1746","0.1967","","","","","","1.042","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:45",""
"1552238","5.7854","0.0007","9.2974","0.0011","12.6443","0.0012","90","","94.217","0.01","90","","678.29","0.13","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","5-Chloro-2-ferrocenylbenzo[<i>d</i>]oxazole","","- C17 H12 Cl Fe N O -","- C17 H12 Cl Fe N O -","- C34 H24 Cl2 Fe2 N2 O2 -","2","1","VM4041","Sánchez-García, Jessica J.; Flores-Alamo, Marcos; Martínez-Falcón, Ezequiel; Klimova, Elena I.","5-Chloro-2-ferrocenylbenzo[<i>d</i>]oxazole","IUCrData","2019","4","8","x191096","","10.1107/S2414314619010964","","","0.71073","MoKα","","0.0566","0.0467","","","0.1043","0.1142","","","","","","1.077","","","","has coordinates,has Fobs","217556","2020-10-21","18:00:00",""
"1552239","4.576","0.004","15.755","0.013","11.134","0.009","90","","100.45","0.03","90","","789.4","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Nitro-1,3-benzoxazole-2(3<i>H</i>)-thione","","- C7 H4 N2 O3 S -","- C7 H4 N2 O3 S -","- C28 H16 N8 O12 S4 -","4","1","HB4314","Jebbari, Said; Abdellatif, El Kihel; Ahbala, Mustapha; Saadi, Mohamed; El Ammari, Lahcen","6-Nitro-1,3-benzoxazole-2(3<i>H</i>)-thione","IUCrData","2019","4","8","x191119","","10.1107/S2414314619011192","","","0.71073","MoKα","","0.052","0.0401","","","0.1027","0.1101","","","","","","1.033","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552261","12.7584","0.0008","11.706","0.0007","13.3452","0.0008","90","","92.273","0.002","90","","1991.5","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(Cycloheptylidene)thiosemicarbazide","","- C8 H15 N3 S -","- C8 H15 N3 S -","- C64 H120 N24 S8 -","8","2","","Singh, Mulveer; Anthal, Sumati; Sankpal, Sandeep S.; Deshmukh, Madhukar B.; Kant, Rajni","1-(Cycloheptylidene)thiosemicarbazide","IUCrData","2019","4","8","x191153","","10.1107/S2414314619011532","","","0.71073","MoKα","","0.0389","0.0333","","","0.0848","0.0914","","","","","","1.055","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:25",""
"1552276","8.2151","0.0005","9.285","0.0005","11.6086","0.0007","108.184","0.004","103.004","0.004","105.089","0.002","765.64","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Allyl 6-amino-5-cyano-2-methyl-4-phenyl-4<i>H</i>-pyran-3-carboxylate","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C34 H32 N4 O6 -","2","1","BV4022","Krishnan, G. Anantha; Kumar, C. Udhaya; Mohandas, T.; Pillai, M. Velayutham; Sakthivel, P.","Allyl 6-amino-5-cyano-2-methyl-4-phenyl-4<i>H</i>-pyran-3-carboxylate","IUCrData","2019","4","1","x190054","","10.1107/S2414314619000543","","","0.71073","MoKα","","0.1006","0.052","","","0.1313","0.1601","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","274689","2022-04-26","14:29:15",""
"1552281","7.5009","0.0009","7.6819","0.0009","19.387","0.003","99.733","0.011","100.641","0.011","90.523","0.009","1081.1","0.3","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","5,10-Dihydroindeno[2,1-<i>a</i>]indene","","- C16 H12 -","- C16 H12 -","- C64 H48 -","4","2","BT4085","Detert, Heiner; Schollmeyer, Dieter","5,10-Dihydroindeno[2,1-<i>a</i>]indene","IUCrData","2019","4","8","x191179","","10.1107/S2414314619011799","","","0.71073","MoKα","","0.1351","0.056","","","0.1146","0.1413","","","","","","1.031","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:26",""
"1552297","9.3713","0.0002","14.1059","0.0003","15.7347","0.0004","90","","90","","90","","2079.98","0.08","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Poly[diaqua[μ-<i>D</i>-(+)-glucosammonium]tri-μ-thiocyanato-thiocyanatocobalt(II)potassium(I)]","","- C10 H18 Co K N5 O7 S4 -","- C10 H18 Co K N5 O7 S4 -","- C40 H72 Co4 K4 N20 O28 S16 -","4","1","WM4108","Peppel, Tim; Detert, Sabine M. L.; Vogel, Christian; Köckerling, Martin","Crystal structure of a salt with a protonated sugar cation and a cobalt(II) complex anion: (GlcN‒H, K)[Co(NCS)~4~]·2H~2~O","IUCrData","2019","4","9","x191142","","10.1107/S2414314619011428","","","0.71073","MoKα","","0.061","0.0376","","","0.0539","0.0583","","","","","","0.98","","","","has coordinates,has Fobs","218068","2020-10-21","18:00:00",""
"1552298","14.8549","0.0008","5.1581","0.0003","10.5471","0.0006","90","","105.816","0.002","90","","777.56","0.08","149.98","","149.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~4~-phenylphosphonato)zinc(II)]","","- C6 H5 O3 P Zn -","- C6 H5 O3 P Zn -","- C24 H20 O12 P4 Zn4 -","4","1","HB4317","Falvello, Larry; Lotti, Paolo; Massera, Chiara; Tarantino, Serena C.; Zema, Michele; Puschmann, Horst; Agbahoungbata, Marielle Y.; Andreo, Jacopo; Sahadevan, Suchithra Ashoka; Bismuto, Alessandro; Bonfant, Giulia; Bonou, Sourou A. S.; Carraro, Claudia; Zotti, Marta De; di Biase, Armando; Fantini, Riccardo; Ferraboschi, Ilaria; Custodio, Jean Marcos Ferreira; Frigerio, Matteo; Gallo, Gianpiero; Gjyli, Silvana; Goudjil, Meriem; Igoa, Fernando; Kahveci, Enver; Kalienko, Maksim; Lorenzon, Sofia; Macera, Ludovico; Fajardo, Joaqun Joaqun Manrique; Nushi, Enida; Ouaatta, Said; Parisi, Emmanuele; Pasqualetto, Leonardo; Pesko, Edyta; Pierri, Giovanni; Pinalli, Roberta; Poppe, Romy; Santoro, Antonio; Smirnova, Ekaterina; Sorbara, Simona; Tensi, Leonardo; Tusha, Gers","Poly[(μ~4~-phenylphosphonato)zinc(II)]","IUCrData","2019","4","9","x191222","","10.1107/S2414314619012227","","","1.54178","CuKα","","0.0457","0.0449","","","0.1205","0.121","","","","","","1.0378","","","","has coordinates,has disorder","218069","2020-10-21","18:00:00",""
"1552299","6.2198","0.0003","16.9271","0.0008","10.446","0.0005","90","","101.013","0.003","90","","1079.53","0.09","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3,5-Dichlorophenyl)benzene-1,2-diol","","- C12 H8 Cl2 O2 -","- C12 H8 Cl2 O2 -","- C48 H32 Cl8 O8 -","4","1","LH4050","Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim","3-(3,5-Dichlorophenyl)benzene-1,2-diol","IUCrData","2019","4","9","x191202","","10.1107/S2414314619012021","","","0.71073","MoKα","","0.0463","0.0333","","","0.0703","0.0742","","","","","","1.042","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:26",""
"1552300","7.5318","0.0005","11.0092","0.0006","18.1896","0.0012","85.6","0.005","87.945","0.005","78.702","0.005","1474.34","0.16","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","3,4',5,5'-Tetramethoxy-2'-methylbiphenyl-4-ol","","- C17 H20 O5 -","- C17 H20 O5 -","- C68 H80 O20 -","4","2","HB4315","Gleede, Barbara; Oehl, Elisabeth K.; Schollmeyer, Dieter; Waldvogel, Siegfried R.","3,4',5,5'-Tetramethoxy-2'-methylbiphenyl-4-ol","IUCrData","2019","4","9","x191212","","10.1107/S2414314619012124","","","0.71073","MoKα","","0.0867","0.0459","","","0.11","0.1218","","","","","","0.962","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:26",""
"1552301","9.1797","0.0013","30.203","0.004","11.0131","0.0016","90","","111.056","0.002","90","","2849.6","0.7","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-{3-Ethoxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl}-5,6,8,9-tetrahydrodibenzo[<i>c</i>,<i>h</i>]acridine","","- C34 H35 N O4 -","- C34 H35 N O4 -","- C136 H140 N4 O16 -","4","1","HB4313","Zhang, Sijing; Han, Heguo; Xu, Yahan; Ma, Wen; Wu, Jieying","7-{3-Ethoxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl}-5,6,8,9-tetrahydrodibenzo[<i>c</i>,<i>h</i>]acridine","IUCrData","2019","4","9","x191205","","10.1107/S2414314619012057","","","0.71073","MoKα","","0.0727","0.0507","","","0.1342","0.1498","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:26",""
"1552316","17.4314","0.0006","9.1871","0.0003","13.227","0.0004","90","","93.7501","0.0012","90","","2113.69","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(quinolinium) tetrabromidomanganate(II)","","- C18 H16 Br4 Mn N2 -","- C18 H16 Br4 Mn N2 -","- C72 H64 Br16 Mn4 N8 -","4","0.5","SJ4208","Papa, Veronica; Spannenberg, Anke; Beller, Matthias; Junge, Kathrin","Bis(quinolinium) tetrabromidomanganate(II)","IUCrData","2019","4","9","x191231","","10.1107/S2414314619012318","","","0.71073","MoKα","","0.0186","0.0163","","","0.0397","0.0406","","","","","","1.053","","","","has coordinates,has Fobs","218161","2020-10-21","18:00:00",""
"1552317","10.2673","0.0017","11.885","0.002","12.839","0.002","90.601","0.003","108.694","0.002","108.797","0.002","1393.5","0.4","100","2","100.03","","","","","","","","","4","P -1","-P 1","2","","3-Ethyl-4-methyl-3-pyrrolin-2-one‒3-ethyl-4-methyl-3-pyrroline-2,5-dione (1/1)","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","2","HB4316","Gehman, Zoë M.; Kassel, W. Scott; Piro, Nicholas A.","1:1 Co-crystal of 3-ethyl-4-methyl-3-pyrrolin-2-one and 3-ethyl-4-methyl-3-pyrroline-2,5-dione","IUCrData","2019","4","9","x191209","","10.1107/S2414314619012094","","","0.71073","MoKα","","0.0724","0.0493","","","0.1158","0.129","","","","","","1.023","","","","has coordinates,has Fobs","218162","2020-10-21","18:00:00",""
"1552318","10.238","0.002","19.104","0.004","9.463","0.002","90","","90","","90","","1850.8","0.7","298","","298","","","","","","","","","4","I b a 2","I 2 -2c","45","","Poly[di(μ~2~-2-hydroxypropanoato)cadmium]","","- C6 H10 Cd O6 -","- C6 H10 Cd O6 -","- C48 H80 Cd8 O48 -","8","1","WM4107","Chen, Ao-Wei; Shi, Rong; Wang, Ce; Shi, Bi-Bo; Yin, Zheng","Poly[di(μ~2~-2-hydroxypropanoato)cadmium]","IUCrData","2019","4","9","x191255","","10.1107/S2414314619012550","","","0.71073","MoKα","","0.029","0.0253","","","0.0625","0.0646","","","","","","1.054","","","","has coordinates,has Fobs","218163","2020-10-21","18:00:00",""
"1552332","13.2243","0.0001","16.1431","0.0002","24.3966","0.0003","90","","90.958","0.001","90","","5207.49","0.1","122.99","0.1","122.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)caesium] pentacarbonylmolybdate","","- C41 H72 Cs2 Mo N4 O17 -","- C41 H72 Cs2 Mo N4 O17 -","- C164 H288 Cs8 Mo4 N16 O68 -","4","1","WM4112","Kaas, Marina; Korber, Nikolaus","Synthesis and crystal structure of [Cs([2.2.2]crypt)]~2~[Mo(CO)~5~]","IUCrData","2019","4","9","x191244","","10.1107/S2414314619012446","","","0.71073","MoKα","","0.039","0.0297","","","0.0617","0.0654","","","","","","1.073","","","","has coordinates,has Fobs","218290","2020-10-21","18:00:00",""
"1552355","18.1038","0.0011","18.1038","0.0011","18.1038","0.0011","90","","90","","90","","5933.5","0.6","100","2","100","","","","","","","","","5","I m -3","-I 2 2 3","204","1,1',3,3'-Tetramesitylquinobis(imidazole)-2,2'-dithione [+solvent]","5,11-Disulfanylidene-4,6,10,12-tetrakis(2,4,6-trimethylphenyl)-4,6,10,12-\ tetraazatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-diene-2,8-dione [+solvent]","","- C44 H44 N4 O2 S2 -","- C44 H44 N4 O2 S2 -","- C264 H264 N24 O12 S12 -","6","0.125","ZQ4037","Selvakumar, Jayaraman; Arumugam, Kuppuswamy","1,1',3,3'-Tetramesitylquinobis(imidazole)-2,2'-dithione","IUCrData","2019","4","9","x191268","","10.1107/S2414314619012689","","","0.71073","MoKα","","0.0597","0.049","","","0.1095","0.1221","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:26",""
"1552356","14.822","0.0009","5.2416","0.0003","20.8364","0.0013","90","","90","","90","","1618.8","0.17","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-en-1-one","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","1","HB4318","Sung, Jiha","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-en-1-one","IUCrData","2019","4","9","x191281","","10.1107/S2414314619012811","","","0.71073","MoKα","","0.0634","0.0366","","","0.0696","0.0883","","","","","","1.035","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:26",""
"1552369","7.8821","0.0002","11.748","0.0003","7.4169","0.0002","90","","113.906","0.001","90","","627.88","0.03","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Bromo-2-cyanopyridine","3-Bromopyridine-2-carbonitrile","","- C6 H3 Br N2 -","- C6 H3 Br N2 -","- C24 H12 Br4 N8 -","4","1","","Sharif, Muhammad; Razzaq, Rauf; Jackstell, Ralf; Spannenberg, Anke","3-Bromopyridine-2-carbonitrile","IUCrData","2019","4","10","x191326","","10.1107/S2414314619013269","","","0.71073","MoKα","","0.0169","0.016","","","0.0416","0.0422","","","","","","1.156","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:26",""
"1552370","27.797","0.003","3.975","0.0004","14.4569","0.0015","90","","110.642","0.004","90","","1494.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,3'-[(1<i>E</i>,1'<i>E</i>)-Hydrazine-1,2-diylidenebis(ethan-1-yl-1-ylidene)]bis(4-hydroxy-6-methyl-2<i>H</i>-pyran-2-one)","","- C16 H16 N2 O6 -","- C16 H16 N2 O6 -","- C64 H64 N8 O24 -","4","0.5","SJ4210","El Alami, Abouelhaoul; Hamid, Sdassi; El Kihel, Abdellatif; Saadi, Mohamed; El Ammari, Lahcen","3,3'-[(1<i>E</i>,1'<i>E</i>)-Hydrazine-1,2-diylidenebis(ethan-1-yl-1-ylidene)]bis(4-hydroxy-6-methyl-2<i>H</i>-pyran-2-one)","IUCrData","2019","4","10","x191348","","10.1107/S2414314619013488","","","0.71073","MoKα","","0.0696","0.0504","","","0.1351","0.1482","","","","","","1.033","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:26",""
"1552478","9.5647","0.00006","11.59555","0.00008","15.6161","0.00011","90","","90","","90","","1731.95","0.02","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Decacarbonyl(μ-ethylidenimino-1κ<i>N</i>:2κ<i>C</i>)-μ-hydrido-<i>triangulo</i>-triosmium(3 <i>Os</i>‒<i>Os</i>)","","- C12 H5 N O10 Os3 -","- C12 H5 N O10 Os3 -","- C48 H20 N4 O40 Os12 -","4","1","WM4114","Powell, Cynthia B.; Powell, Gregory L.; Archambeau, Ashley K.; Wilson, Kylie M.","Decacarbonyl(μ-ethylidenimino-1κ<i>N</i>:2κ<i>C</i>)-μ-hydrido-<i>triangulo</i>-triosmium(3<i>Os</i>‒<i>Os</i>)","IUCrData","2019","4","10","x191386","","10.1107/S2414314619013865","","x-ray","1.54184","CuKα","","0.0153","0.0152","","","0.0368","0.0368","","","","","","1.06","","","","has coordinates,has Fobs","225387","2020-10-21","18:00:00",""
"1552479","13.595","0.003","14.337","0.003","10.958","0.002","90","","92.23","0.03","90","","2134.2","0.8","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Isobutyl-8,9-dimethoxy-3-phenyl-5,6-dihydroimidazo[5,1-<i>a</i>]isoquinolin-2-ium chloride","","- C23 H27 Cl N2 O2 -","- C23 H27 Cl N2 O2 -","- C92 H108 Cl4 N8 O8 -","4","1","","Okmanov, R. Ya.; Tukhtaev, D. B.; Saidov, A. Sh.; Tashkhodjaev, B.","1-Isobutyl-8,9-dimethoxy-3-phenyl-5,6-dihidroimidazo[5,1-<i>a</i>]isoquinolin-2-ium chloride","IUCrData","2019","4","10","x191390","","10.1107/S2414314619013907","","x-ray","1.54184","CuKα","","0.0785","0.0495","","","0.1231","0.1422","","","","","","1.012","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:26",""
"1552480","8.7319","0.0004","11.3091","0.0005","16.122","0.0007","69.599","0.003","77.168","0.004","81.042","0.004","1449.57","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","4-Amino-5-{[cyclohexyl(methyl)amino]methyl}isophthalonitrile","","- C16 H20 N4 -","- C16 H20 N4 -","- C64 H80 N16 -","4","2","SJ4209","Sharif, Muhammad; Razzaq, Rauf; Jackstell, Ralf; Spannenberg, Anke","4-Amino-5-{[cyclohexyl(methyl)amino]methyl}isophthalonitrile","IUCrData","2019","4","10","x191369","","10.1107/S2414314619013695","","","0.71073","MoKα","","0.0633","0.0379","","","0.0868","0.0914","","","","","","0.848","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:26",""
"1552550","16.6119","0.0005","6.83947","0.00016","22.5749","0.0006","90","","98.255","0.007","90","","2538.31","0.13","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-Dichloro-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone","","- C14 H11 Cl2 N O2 -","- C14 H11 Cl2 N O2 -","- C112 H88 Cl16 N8 O16 -","8","2","IS4037","Pal, Tarun Kumar; Alam, Md Ashraful; Hossain, Md Dulal; Paul, Subrata; Miyatake, Ryuta; Sheikh, Md Chanmiya","2,4-Dichloro-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone","IUCrData","2019","4","10","x191401","","10.1107/S2414314619014019","","","0.71075","MoKα","","0.0667","0.043","","","0.091","0.0995","","","","","","1.025","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:26",""
"1552551","9.8947","0.0004","10.6554","0.0004","19.0286","0.0008","90","","90","","90","","2006.22","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9α-Hydroxy-4,8-dimethyl-3'-phenyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one-12-spiro-5'-isoxazole monohydrate","","- C22 H27 N O6 -","- C22 H27 N O6 -","- C88 H108 N4 O24 -","4","1","HB4321","Outahar, Fatima; Hannioui, Abdellah; Rakib, El Mostapha; Akssira, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","9α-Hydroxy-4,8-dimethyl-3'-phenyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one-12-spiro-5'-isoxazole monohydrate","IUCrData","2019","4","10","x191408","","10.1107/S2414314619014081","","","0.71073","MoKα","","0.0555","0.0421","","","0.0995","0.1068","","","","","","1.035","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:27",""
"1552552","9.5014","0.0015","13.801","0.002","15.834","0.003","66.375","0.004","89.911","0.004","81.735","0.004","1878.9","0.5","208","2","208","2","","","","","","","","5","P -1","-P 1","2","","Bis[2-(dimethylamino-κ<i>N</i>)-α,α-diphenylbenzenemethanolato-κ<i>O</i>](tetrahydrofuran-κ<i>O</i>)magnesium(II)","","- C46 H48 Mg N2 O3 -","- C46 H48 Mg N2 O3 -","- C92 H96 Mg2 N4 O6 -","2","1","WM4115","Al-Masri, Harbi Tomah","Bis[2-(dimethylamino-κ<i>N</i>)-α,α-diphenylbenzenemethanolato-κ<i>O</i>](tetrahydrofuran-κ<i>O</i>)magnesium(II)","IUCrData","2019","4","10","x191412","","10.1107/S2414314619014123","","","0.71073","MoKα","","0.1618","0.0866","","","0.2172","0.25","","","","","","1.087","","","","has coordinates","301780","2025-08-18","21:43:27",""
"1552756","10.3724","0.0004","11.1647","0.0005","14.1562","0.0005","85.454","0.003","71.125","0.004","74.999","0.004","1498.32","0.11","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","(4-Carboxybenzyl)triphenylphosphonium hexafluoridophosphate tetrahydrofuran monosolvate","","- C30 H29 F6 O3 P2 -","- C30 H29 F6 O3 P2 -","- C60 H58 F12 O6 P4 -","2","1","BV4025","Traver, Joseph R.; Guillet, Gary L.; Hillesheim, Patrick C.","(4-Carboxybenzyl)triphenylphosphonium hexafluoridophosphate tetrahydrofuran monosolvate","IUCrData","2019","4","11","x191478","","10.1107/S2414314619014780","","","0.71073","MoKα","","0.1374","0.0644","","","0.1604","0.2119","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","223402","2020-10-21","18:00:00",""
"1552757","6.0338","0.0003","12.9814","0.0006","11.489","0.0005","90","","91.185","0.004","90","","899.71","0.07","293","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(2-nitrobenzyl)piperazine","","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","- C36 H40 N8 O8 -","2","0.5","HB4325","Crundwell, Hugh I.; Grimmett, Rhiannon I.; Crundwell, Guy; Westcott, Barry L.","1,4-Bis(2-nitrobenzyl)piperazine","IUCrData","2019","4","11","x191468","","10.1107/S2414314619014688","","x-ray","0.71073","MoKα","","0.0809","0.0559","","","0.1377","0.1532","","","","","","1.031","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:28",""
"1552864","8.3495","0.0008","12.5138","0.0011","18.6631","0.0017","90","","100.902","0.003","90","","1914.8","0.3","200","2","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis{[2-(4-hydroxy-1<i>H</i>-indol-3-yl)ethyl]bis(propan-2-yl)azanium} but-2-enedioate tetrahydrate","","- C18 H30 N2 O5 -","- C18 H30 N2 O5 -","- C72 H120 N8 O20 -","4","1","FF4032","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","Bis(4-hydroxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptammonium) fumarate tetrahydrate","IUCrData","2019","4","11","x191469","","10.1107/S241431461901469X","","","0.71073","MoKα","","0.0694","0.0464","","","0.1123","0.1275","","","","","","1.052","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:28",""
"1552865","15.0751","0.0006","7.6891","0.0004","20.7891","0.0009","90","","90","","90","","2409.75","0.19","99","2","99","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[1-(1,3-Dioxo-1,3-dihydro-2<i>H</i>-inden-2-ylidene)ethyl]hydrazinecarbothioamide","","- C12 H11 N3 O2 S -","- C12 H11 N3 O2 S -","- C96 H88 N24 O16 S8 -","8","1","IS5524","Omar Ali, Nur Halilatul Sadiqin; Sheikh Abdul Hamid, Malai Haniti; Mirza, Aminul Huq; Usman, Anwar","2-[1-(1,3-Dioxo-1,3-dihydro-2<i>H</i>-inden-2-ylidene)ethyl]hydrazinecarbothioamide","IUCrData","2019","4","11","x191501","","10.1107/S2414314619015013","","","0.71073","MoKα","","0.0779","0.0628","","","0.1611","0.1728","","","","","","1.071","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:28",""
"1552920","9.9461","0.0004","12.151","0.0005","16.8171","0.0007","105.006","0.001","94.22","0.001","104.926","0.001","1875.34","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Ethyl 5-[(ethoxycarbonyl)oxy]-5,5-diphenylpent-2-ynoate","","- C22 H22 O5 -","- C22 H22 O5 -","- C88 H88 O20 -","4","2","HB4323","Cabezas, Jorge A.; Fernandez, Cristian Saul Campos","Ethyl 5-[(ethoxycarbonyl)oxy]-5,5-diphenylpent-2-ynoate","IUCrData","2019","4","11","x191526","","10.1107/S2414314619015268","","","0.71073","MoKα","","0.0494","0.0361","","","0.0861","0.0928","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:28",""
"1552921","16.3881","0.0012","4.6912","0.0003","22.4928","0.0018","90","","97.512","0.007","90","","1714.4","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","5-(3-Hydroxyphenyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione hemihydrate","","- C8 H7 N2 O2.5 S -","- C8 H7 N2 O2.5 S -","- C64 H56 N16 O20 S8 -","8","1","WM4116","Razzoqova, Surayyo Razzoqovna; Kadirova, Shaxnoza; Ashurov, Jamshid Mengnorovich; Rakhmonova, Dilnoza Salamovna; Ziyaev, Abdukhakim; Parpiev, Nusrat Agzamovich","5-(3-Hydroxyphenyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione hemihydrate","IUCrData","2019","4","11","x191532","","10.1107/S2414314619015323","","","1.54184","CuKα","","0.0704","0.0429","","","0.0995","0.1167","","","","","","1.04","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:28",""
"1552938","14.013","0.003","5.4123","0.0011","22.901","0.005","90","","93.157","0.005","90","","1734.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methoxy]-1-naphthaldehyde","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","HB4324","Vishnupriya, R.; Venkateshan, M.; Suresh, J.; Jaabil, G.; Ponnuswamy, A.; Lakshman, P. L. Nilantha","2-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methoxy]-1-naphthaldehyde","IUCrData","2019","4","11","x191525","","10.1107/S2414314619015256","","","0.71073","MoKα","","0.1418","0.0484","","","0.1317","0.1988","","","","","","0.865","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:28",""
"1552939","13.3725","0.0017","13.3725","0.0017","40.84","0.005","90","","90","","120","","6324.7","1.4","200","2","200","2","","","","","","","","7","P 32","P 32","145","","Sodium [2-({2-[(1-carboxylato-2-methyl-2-sulfanidylpropyl)amino]ethyl}amino)-3-methyl-\ 3-sulfanidylbutanoato-κ^4^<i>S</i>,<i>N</i>,<i>N</i>',<i>S</i>']indate(III) tetrahydrate","","- C12 H28 In N2 Na O8 S2 -","- C12 H28 In N2 Na O8 S2 -","- C144 H336 In12 N24 Na12 O96 S24 -","12","4","SJ4211","Yoshinari, Nobuto; Konno, Takumi","Sodium [N,N′-ethylenebis(D-penicillaminato)]indate(III) tetrahydrate","IUCrData","2019","4","11","x191529","","10.1107/S2414314619015293","","","0.71075","MoKα","","0.0474","0.0398","","","0.0719","0.076","","","","","","1.041","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:45",""
"1552940","13.7369","0.0005","13.8077","0.0005","16.4824","0.0006","78.442","0.002","68.211","0.002","80.216","0.002","2828.35","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5,13-Bis(4-methoxyphenyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>d</i>]thiophene <i>S</i>,<i>S</i>-dioxide dichloromethane hemisolvate","","- C69 H50 Cl2 O8 S2 -","- C69 H50 Cl2 O8 S2 -","- C138 H100 Cl4 O16 S4 -","2","1","BT4084","Manickam, R.; Jagadeesan, G.; Rafiq, S. Muhamad; Mohanakrishnan, A. K.; Srinivasan, G.","5,13-Bis(4-methoxyphenyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>d</i>]thiophene <i>S</i>,<i>S</i>-dioxide dichloromethane hemisolvate","IUCrData","2019","4","11","x191394","","10.1107/S2414314619013944","","","0.71073","MoKα","","0.1194","0.0529","","","0.131","0.1685","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","231082","2020-10-21","18:00:00",""
"1552941","10.139","0.003","11.35","0.003","17.815","0.005","90","","96.773","0.003","90","","2035.8","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Oxybis(ethane-1,2-diyl)]bis(dimethylammonium) octamolybdate dihydrate","","- C16 H44 D4 Mo8 N4 O30 -","- C16 H44 D4 Mo8 N4 O30 -","- C32 H88 D8 Mo16 N8 O60 -","2","0.5","LH4048","Ermert, David M.; Gembicky, Milan; Rheingold, Arnold L.","[Oxybis(ethane-1,2-diyl)]bis(dimethylammonium) octamolybdate dihydrate","IUCrData","2019","4","11","x191536","","10.1107/S2414314619015360","","","0.71073","MoKα","","0.044","0.0318","","","0.0695","0.0741","","","","","","1.078","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:28",""
"1552963","7.8536","0.0003","8.5571","0.0003","29.1438","0.0009","90","","90.415","0.002","90","","1958.53","0.12","123","","123","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br F5 N2 -","- C18 H22 Br F5 N2 -","- C72 H88 Br4 F20 N8 -","4","1","","Anthofer, Michael H.; Wilhelm, Michael E.; Cokoja, Mirza; Markovits, Iulius I. E.; Pöthig, Alexander; Mink, János; Herrmann, Wolfgang A.; Kühn, Fritz E.","Cycloaddition of CO2 and epoxides catalyzed by imidazolium bromides under mild conditions: influence of the cation on catalyst activity","Catalysis Science & Technology","2014","4","6","1749","","10.1039/c3cy01024d","","x-ray","0.71073","MoKα","","0.1433","0.0793","","","0.0824","0.0927","","","","","","1.112","","","","has coordinates","301780","2025-08-18","21:43:28",""
"1553497","8.125","0.0016","9.328","0.0019","11.408","0.002","90.91","0.03","96.19","0.03","107.69","0.03","817.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C38 H34 N2 O8 -","2","1","","Dai, Jie; Ren, Wenlong; Chang, Wenju; Zhang, Ping; Shi, Yian","An effective route to β2-amino acid derivatives via Pd-catalyzed regioselective hydrocarboxylation of 1,2-disubstituted enimides","Organic Chemistry Frontiers","2017","4","2","297","","10.1039/C6QO00353B","","","0.71073","MoKα","","0.1599","0.0691","","","0.1238","0.1481","","","","","","1.001","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553519","11.5593","0.0003","14.0068","0.0003","17.8914","0.0004","90","","90","","90","","2896.78","0.12","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 F2 N2 O2 -","- C36 H32 F2 N2 O2 -","- C144 H128 F8 N8 O8 -","4","1","","Zhu, Zi-Qi; Yin, Lei; Wang, Yang; Shen, Yang; Li, Can; Mei, Guang-Jian; Shi, Feng","Diastereo- and enantioselective construction of biologically important pyrrolo[1,2-a]indole scaffolds via catalytic asymmetric [3 + 2] cyclodimerizations of 3-alkyl-2-vinylindoles","Organic Chemistry Frontiers","2017","4","1","57","","10.1039/C6QO00446F","","","1.54178","CuKα","","0.0409","0.0361","","","0.1029","0.1084","","","","","","0.821","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553520","19.661","0.013","10.71","0.007","17.118","0.011","90","","97.306","0.011","90","","3575","4","130","","130","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 N2 -","- C44 H50 N2 -","- C176 H200 N8 -","4","1","","Zhu, Zi-Qi; Yin, Lei; Wang, Yang; Shen, Yang; Li, Can; Mei, Guang-Jian; Shi, Feng","Diastereo- and enantioselective construction of biologically important pyrrolo[1,2-a]indole scaffolds via catalytic asymmetric [3 + 2] cyclodimerizations of 3-alkyl-2-vinylindoles","Organic Chemistry Frontiers","2017","4","1","57","","10.1039/C6QO00446F","","","0.71073","MoKα","","0.1483","0.0877","","","0.1849","0.221","","","","","","1.07","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553521","6.9478","0.0005","9.1969","0.0005","11.8012","0.001","82.206","0.006","81.643","0.007","75.22","0.006","717.55","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(Ph-CH3)-S-[Ph(OCH3)3]","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C32 H36 O6 S2 -","2","1","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C–S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","1.54184","CuKα","","0.0488","0.0374","","","0.0923","0.0976","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553522","7.68603","0.00016","23.9176","0.0004","7.76261","0.00017","90","","111.053","0.003","90","","1331.76","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Ph-CH3)-S-(Ph-(OCH3)2)","","","- C15 H16 O2 S -","- C15 H16 O2 S -","- C60 H64 O8 S4 -","4","1","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C–S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","1.54184","CuKα","","0.0309","0.0287","","","0.0772","0.0786","","","","","","1.07","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553523","5.7042","0.0003","25.743","0.002","7.8069","0.0004","90","","94.59","0.005","90","","1142.71","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Ph-CH3)-S-(Ph-CN)","","","- C14 H11 N S -","- C14 H11 N S -","- C56 H44 N4 S4 -","4","1","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C–S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","0.71073","MoKα","","0.049","0.0426","","","0.0937","0.0967","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553524","5.7958","0.0003","25.4544","0.0012","8.3123","0.0004","90","","93.626","0.004","90","","1223.85","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Ph-CH3)-S-(PhCOCH3)","","","- C15 H14 O S -","- C15 H14 O S -","- C60 H56 O4 S4 -","4","1","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C–S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","0.71073","MoKα","","0.0442","0.0359","","","0.0856","0.0903","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553525","5.611","0.0003","25.6833","0.0013","8.991","0.0004","90","","98.982","0.004","90","","1279.8","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Ph-CH3)-S-(PhCOOCH3)","","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C60 H56 O8 S4 -","4","1","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C–S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","1.54184","CuKα","","0.0725","0.0551","","","0.1475","0.1531","","","","","","1.18","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553526","5.67633","0.00018","26.8781","0.0008","7.7875","0.0002","90","","95.042","0.003","90","","1183.53","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Ph-CN)-S-(PhOCH3)","","","- C14 H11 N O S -","- C14 H11 N O S -","- C56 H44 N4 O4 S4 -","4","1","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C–S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","1.54184","CuKα","","0.0356","0.0332","","","0.0883","0.0899","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553527","7.8232","0.0004","11.6428","0.0005","14.5818","0.0007","84.863","0.004","83.654","0.004","73.557","0.004","1263.68","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(Ph-CN)-S-S-(Ph-CN)","","","- C14 H8 N2 S2 -","- C14 H8 N2 S2 -","- C56 H32 N8 S8 -","4","2","","Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang","Nickel-catalyzed direct formation of the C–S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent","Organic Chemistry Frontiers","2017","4","1","31","","10.1039/C6QO00451B","","","1.54184","CuKα","","0.0784","0.0691","","","0.2121","0.2166","","","","","","1.119","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553530","7.455","0.0005","11.3624","0.0007","18.4877","0.0013","90","","92.585","0.006","90","","1564.44","0.18","273.77","0.1","273.77","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H53 N O3 -","- C35 H53 N O3 -","- C70 H106 N2 O6 -","2","1","","Li, Zheng-Yu; Qi, Feng-Ming; Zhi, De-Juan; Hu, Qiao-Ling; Liu, Ying-Hong; Zhang, Zhan-Xin; Fei, Dong-Qing","A novel spirocyclic triterpenoid and a new taraxerane triterpenoid from Teucrium viscidum","Organic Chemistry Frontiers","2017","4","1","42","","10.1039/C6QO00460A","","x-ray","1.54184","CuKα","","0.0628","0.0567","","","0.1539","0.1616","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553531","6.52391","0.0001","12.9427","0.0002","31.7963","0.0006","90","","90","","90","","2684.78","0.08","154.89","0.1","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","1","","Li, Zheng-Yu; Qi, Feng-Ming; Zhi, De-Juan; Hu, Qiao-Ling; Liu, Ying-Hong; Zhang, Zhan-Xin; Fei, Dong-Qing","A novel spirocyclic triterpenoid and a new taraxerane triterpenoid from Teucrium viscidum","Organic Chemistry Frontiers","2017","4","1","42","","10.1039/C6QO00460A","","x-ray","1.54184","CuKα","","0.0436","0.0381","","","0.0965","0.1006","","","","","","1.023","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553543","7.348","0.0009","22.781","0.003","11.236","0.0015","90","","101.092","0.013","90","","1845.7","0.4","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Yu, Wenlong; Zhang, Wei; Liu, Yue; Liu, Zhanxiang; Zhang, Yuhong","Cobalt(iii)-catalyzed cross-coupling of enamides with allyl acetates/maleimides","Organic Chemistry Frontiers","2017","4","1","77","","10.1039/C6QO00479B","","","0.71073","MoKα","","0.1248","0.0677","","","0.1801","0.2255","","","","","","1.024","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553544","9.3103","0.0008","4.8793","0.0005","30.741","0.003","90","","96.596","0.008","90","","1387.3","0.2","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Yu, Wenlong; Zhang, Wei; Liu, Yue; Liu, Zhanxiang; Zhang, Yuhong","Cobalt(iii)-catalyzed cross-coupling of enamides with allyl acetates/maleimides","Organic Chemistry Frontiers","2017","4","1","77","","10.1039/C6QO00479B","","","0.71073","MoKα","","0.0875","0.0562","","","0.1248","0.1436","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553545","33.922","0.006","33.922","0.006","11.008","0.002","90","","90","","120","","10970","3","173","2","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C25 H21 N O2 S -","- C25 H21 N O2 S -","- C450 H378 N18 O36 S18 -","18","1","","Gong, Xinxing; Li, Guangming; Wu, Jie","Synthesis of polycyclic sultams via a palladium-catalyzed reaction of 1-bromo-2-(cyclopropylidenemethyl)benzenes with 2-alkynylbenzenesulfonamides","Organic Chemistry Frontiers","2017","4","1","14","","10.1039/C6QO00480F","","","0.71073","MoKα","","0.0953","0.062","","","0.1336","0.1442","","","","","","0.925","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553547","5.3248","0.0004","17.2473","0.001","7.6729","0.0006","90","","96.167","0.006","90","","700.59","0.09","123","","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Br2 -","- C18 H12 Br2 -","- C36 H24 Br4 -","2","0.5","","Wilbuer, J.; Grenz, D. C.; Schnakenburg, G.; Esser, B.","Donor- and acceptor-functionalized dibenzo[a,e]pentalenes: modulation of the electronic band gap","Organic Chemistry Frontiers","2017","4","5","658","","10.1039/C6QO00487C","","","0.71073","MoKα","","0.0461","0.0231","","","0.0494","0.0525","","","","","","0.84","","","","has coordinates","235123","2020-10-21","18:00:00",""
"1553548","6.6723","0.0015","8.653","0.002","15.099","0.003","90","","111.66","0.01","90","","810.2","0.3","123","","123.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br2 -","- C20 H16 Br2 -","- C40 H32 Br4 -","2","0.5","","Wilbuer, J.; Grenz, D. C.; Schnakenburg, G.; Esser, B.","Donor- and acceptor-functionalized dibenzo[a,e]pentalenes: modulation of the electronic band gap","Organic Chemistry Frontiers","2017","4","5","658","","10.1039/C6QO00487C","","","0.71073","MoKα","","0.0845","0.0628","","","0.1605","0.1831","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553549","21.802","0.003","4.9336","0.0005","18.875","0.003","90","","90.188","0.013","90","","2030.2","0.5","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 Br2 -","- C28 H16 Br2 -","- C112 H64 Br8 -","4","0.5","","Wilbuer, J.; Grenz, D. C.; Schnakenburg, G.; Esser, B.","Donor- and acceptor-functionalized dibenzo[a,e]pentalenes: modulation of the electronic band gap","Organic Chemistry Frontiers","2017","4","5","658","","10.1039/C6QO00487C","","","0.71073","MoKα","","0.1474","0.0681","","","0.157","0.1785","","","","","","0.831","","","","has coordinates,has disorder","235123","2020-10-21","18:00:00",""
"1553550","10.0648","0.0005","11.6684","0.0006","12.2462","0.0006","77.981","0.002","86.017","0.002","79.287","0.002","1381.44","0.12","100","","100","","","","","","","","","3","P -1","-P 1","2","","jm192.1","","- C36 H32 Br2 -","- C36 H32 Br2 -","- C72 H64 Br4 -","2","1","","Wilbuer, J.; Grenz, D. C.; Schnakenburg, G.; Esser, B.","Donor- and acceptor-functionalized dibenzo[a,e]pentalenes: modulation of the electronic band gap","Organic Chemistry Frontiers","2017","4","5","658","","10.1039/C6QO00487C","","","0.71073","MoKα","","0.0695","0.0508","","","0.1308","0.1396","","","","","","1.07","","","","has coordinates,has disorder","235123","2020-10-21","18:00:00",""
"1553551","11.131","0.0004","10.249","0.0003","11.763","0.0004","90","","101.301","0.002","90","","1315.92","0.08","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Br2 -","- C34 H28 Br2 -","- C68 H56 Br4 -","2","0.5","","Wilbuer, J.; Grenz, D. C.; Schnakenburg, G.; Esser, B.","Donor- and acceptor-functionalized dibenzo[a,e]pentalenes: modulation of the electronic band gap","Organic Chemistry Frontiers","2017","4","5","658","","10.1039/C6QO00487C","","x-ray","1.54178","CuKα","","0.1028","0.0691","","","0.1474","0.1648","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553552","10.8252","0.0008","13.5794","0.001","14.2122","0.001","114.377","0.004","91.316","0.005","95.604","0.004","1889.2","0.2","100","","100","","","","","","","","","2","P -1","-P 1","2","","jm245.3b","","- C50 H38 -","- C50 H38 -","- C100 H76 -","2","1","","Wilbuer, J.; Grenz, D. C.; Schnakenburg, G.; Esser, B.","Donor- and acceptor-functionalized dibenzo[a,e]pentalenes: modulation of the electronic band gap","Organic Chemistry Frontiers","2017","4","5","658","","10.1039/C6QO00487C","","x-ray","1.54178","CuKα","","0.1377","0.1086","","","0.259","0.2735","","","","","","1.09","","","","has coordinates","235123","2020-10-21","18:00:00",""
"1553554","20.3","0.005","5.882","0.005","27.651","0.005","90","0.002","94.075","0.003","90","0.001","3293","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","iodo methoxy phenyl methyl phenylselenophene","3-iodo-5-(methoxy(phenyl)methyl)-2-phenylselenophene","","- C18 H15 I O Se -","- C18 H15 I O Se -","- C144 H120 I8 O8 Se8 -","8","1","","Pistoia, Renan P.; Roehrs, Juliano A.; Back, Davi F.; Zeni, Gilson","Iodine-mediated regioselective 5-endo-dig electrophilic cyclization reaction of selenoenynes: synthesis of selenophene derivatives","Organic Chemistry Frontiers","2017","4","2","277","","10.1039/C6QO00491A","","","0.71073","MoKα","","0.0854","0.046","","","0.0627","0.0699","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553555","19.0809","0.0007","5.7136","0.0002","17.2112","0.0006","90","","100.175","0.001","90","","1846.87","0.11","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","3-iodo-5-isopropoxy-2,4-diphenylselenophene","3-iodo-5-isopropoxy-2,4-diphenylselenophene","","- C20 H19 I O Se -","- C20 H19 I O Se -","- C80 H76 I4 O4 Se4 -","4","1","","Pistoia, Renan P.; Roehrs, Juliano A.; Back, Davi F.; Zeni, Gilson","Iodine-mediated regioselective 5-endo-dig electrophilic cyclization reaction of selenoenynes: synthesis of selenophene derivatives","Organic Chemistry Frontiers","2017","4","2","277","","10.1039/C6QO00491A","","","0.71073","MoKα","","0.0243","0.0207","","","0.0482","0.0495","","","","","","1.07","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553556","11.4186","0.0019","9.7011","0.0017","13.152","0.002","90","","92.473","0.004","90","","1455.5","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H25 Cl N2 O8 S -","- C29 H25 Cl N2 O8 S -","- C58 H50 Cl2 N4 O16 S2 -","2","1","","He, Fu-Sheng; Li, Cong-Shan; Deng, Hua; Zheng, Xing; Yang, Zhong-Tao; Deng, Wei-Ping","The facile and stereoselective synthesis of pyrrolidine β-amino acids via copper(i)-catalyzed asymmetric 1,3-dipolar cycloaddition","Organic Chemistry Frontiers","2017","4","1","52","","10.1039/C6QO00512H","","","0.71073","MoKα","","0.0552","0.0461","","","0.1112","0.1179","","","","","","1","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553557","14.3717","0.0006","5.917","0.0002","21.4597","0.0009","90","","90","","90","","1824.88","0.12","300","","300","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C100 H72 O8 -","4","1","","Sreenivasulu, Chinnabattigalla; Gopi Krishna Reddy, A.; Satyanarayana, G.","Oxidative annulations triggered by a simple Lewis acid: facile synthesis of benzofurans","Organic Chemistry Frontiers","2017","4","6","972","","10.1039/C6QO00531D","","","1.54184","CuKα","","0.1073","0.0671","","","0.1467","0.1967","","","","","","1.0503","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553558","7.9447","0.0003","10.3826","0.0004","17.0108","0.0007","90","","90","","90","","1403.16","0.1","300","","300","","","","","","","","Synthesized compound","3","P 21 21 21","P 2ac 2ab","19","","2,3-diphenylbenzofuran","","- C20 H14 O -","- C20 H14 O -","- C80 H56 O4 -","4","1","","Sreenivasulu, Chinnabattigalla; Gopi Krishna Reddy, A.; Satyanarayana, G.","Oxidative annulations triggered by a simple Lewis acid: facile synthesis of benzofurans","Organic Chemistry Frontiers","2017","4","6","972","","10.1039/C6QO00531D","","","1.54184","CuKα","","0.0579","0.0502","","","0.1222","0.1338","","","","","","1.0451","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553559","21.226","0.003","8.2493","0.0007","16.985","0.002","90","","109.61","0.014","90","","2801.6","0.6","294.74","0.1","294.74","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N O7 S3 -","- C27 H31 N O7 S3 -","- C108 H124 N4 O28 S12 -","4","1","","Chen, Fei; Zhou, Neng-Neng; Zhan, Jun-Long; Han, Bing; Yu, Wei","tert-Butyl nitrite-mediated vicinal sulfoximation of alkenes with sulfinic acids: a highly efficient approach toward α-sulfonyl ketoximes","Organic Chemistry Frontiers","2017","4","1","135","","10.1039/C6QO00535G","","","0.71073","MoKα","","0.1316","0.0909","","","0.2444","0.2645","","","","","","1.073","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553560","25.961","0.0017","5.793","0.0003","22.2512","0.0017","90","","114.088","0.009","90","","3055","0.4","293.64","0.1","293.64","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C120 H168 N8 O24 S8 -","8","1","","Chen, Fei; Zhou, Neng-Neng; Zhan, Jun-Long; Han, Bing; Yu, Wei","tert-Butyl nitrite-mediated vicinal sulfoximation of alkenes with sulfinic acids: a highly efficient approach toward α-sulfonyl ketoximes","Organic Chemistry Frontiers","2017","4","1","135","","10.1039/C6QO00535G","","x-ray","0.71073","MoKα","","0.1117","0.0626","","","0.1415","0.1744","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553561","6.52","0.006","8.149","0.007","18.175","0.015","102.278","0.014","95.21","0.015","97.731","0.016","927.9","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 F3 N O2 S2 -","- C18 H16 F3 N O2 S2 -","- C36 H32 F6 N2 O4 S4 -","2","1","","Chen, Min-Tao; Tang, Xiang-Ying; Shi, Min","A facile approach for the trifluoromethylthiolation of methylenecyclopropanes","Organic Chemistry Frontiers","2017","4","1","86","","10.1039/C6QO00536E","","","0.71073","MoKα","","0.1295","0.0942","","","0.2386","0.2635","","","","","","1.05","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553562","13.451","0.004","14.313","0.004","15.248","0.004","86.714","0.004","63.827","0.003","90.014","0.004","2629.2","1.3","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","4","","Rajaguru, Kandasamy; Mariappan, Arumugam; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Divergent reactivity of α-azidochalcones with metal β-diketonates: tunable synthesis of substituted pyrroles and indoles","Organic Chemistry Frontiers","2017","4","1","124","","10.1039/C6QO00541A","","","0.71073","MoKα","","0.0847","0.0536","","","0.1215","0.1378","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553563","7.3875","0.0004","11.6702","0.0006","13.4944","0.0007","64.647","0.001","82.911","0.001","77.69","0.001","1026.5","0.09","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cl N O3 -","- C26 H20 Cl N O3 -","- C52 H40 Cl2 N2 O6 -","2","1","","Rajaguru, Kandasamy; Mariappan, Arumugam; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Divergent reactivity of α-azidochalcones with metal β-diketonates: tunable synthesis of substituted pyrroles and indoles","Organic Chemistry Frontiers","2017","4","1","124","","10.1039/C6QO00541A","","","0.71073","MoKα","","0.0347","0.0314","","","0.0892","0.0913","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553564","8.5455","0.0004","12.047","0.0006","12.1501","0.0006","60.733","0.001","81.883","0.002","87.112","0.002","1079.97","0.09","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 N2 O6 S -","- C23 H24 N2 O6 S -","- C46 H48 N4 O12 S2 -","2","1","","Rajaguru, Kandasamy; Mariappan, Arumugam; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Divergent reactivity of α-azidochalcones with metal β-diketonates: tunable synthesis of substituted pyrroles and indoles","Organic Chemistry Frontiers","2017","4","1","124","","10.1039/C6QO00541A","","","0.71073","MoKα","","0.0552","0.0474","","","0.1229","0.1296","","","","","","1.069","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553565","9.3265","0.001","9.7095","0.0009","23.593","0.002","78.225","0.008","84.998","0.008","75.52","0.008","2023.6","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H52 N4 S4 -","- C44 H52 N4 S4 -","- C88 H104 N8 S8 -","2","1","","Xia, Debin; Keerthi, Ashok; An, Cunbin; Baumgarten, Martin","Synthesis of a quinoidal dithieno[2,3-d;2′,3′-d]benzo[2,1-b;3,4-b′]-dithiophene based open-shell singlet biradicaloid","Organic Chemistry Frontiers","2017","4","1","18","","10.1039/C6QO00543H","","","1.54178","CuKα","","0.1924","0.0676","","","0.1475","0.2042","","","","","","0.802","","","","has coordinates","235142","2020-10-21","18:00:00",""
"1553566","8.101","0.0016","19.041","0.004","13.693","0.003","90","","107.19","0.03","90","","2017.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O8 -","- C20 H21 N O8 -","- C80 H84 N4 O32 -","4","1","","Zhang, Li; Zhang, Beichen; Jiang, Teng; Lu, Tao; Zhou, Qingfa","Synthesis of tricyclic 3-hydroxyisoindolin-1-ones via triethylamine-catalyzed domino reactions of electron-deficient alkynes with phthalimidomalonate derivatives","Organic Chemistry Frontiers","2017","4","1","119","","10.1039/C6QO00544F","","","0.71073","MoKα","","0.1304","0.0679","","","0.1552","0.1807","","","","","","1.008","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553567","11.366","0.004","11.305","0.004","14.788","0.006","90","","110.536","0.006","90","","1779.4","1.1","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","","Zhu, Chao-Qun; Deng, Zhuo-Fei; Zhang, Yahong; Wang, You-Qing","Synthesis of 4-substituted 3-(2-hydroxyphenyl)-quinolines through an unexpected iron(iii) chloride promoted reaction of cyclic imine dibenzo[b,f][1,4]oxazepines with alkynes","Organic Chemistry Frontiers","2017","4","2","196","","10.1039/C6QO00545D","","","0.71073","MoKα","","0.0485","0.0359","","","0.11","0.1195","","","","","","0.973","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553568","8.902","0.006","13.209","0.009","12.059","0.008","90","","99.65","0.007","90","","1397.9","1.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H30 N4 O3 -","- C33 H30 N4 O3 -","- C66 H60 N8 O6 -","2","1","","Cheng, Cang; Lu, Xuehe; Ge, Luo; Chen, Jie; Cao, Weiguo; Wu, Xiaoyu; Zhao, Gang","Effective asymmetric vinylogous Mannich reaction of isatin imines with α,α-dicyanoolefins in the presence of a simple chiral amide phosphonium bifunctional phase transfer catalyst","Organic Chemistry Frontiers","2017","4","1","101","","10.1039/C6QO00546B","","","0.71073","MoKα","","0.0389","0.0335","","","0.0782","0.0823","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553569","9.662","0.004","12.286","0.006","24.441","0.011","90","","90","","90","","2901","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Br N4 O3 -","- C31 H27 Br N4 O3 -","- C124 H108 Br4 N16 O12 -","4","1","","Cheng, Cang; Lu, Xuehe; Ge, Luo; Chen, Jie; Cao, Weiguo; Wu, Xiaoyu; Zhao, Gang","Effective asymmetric vinylogous Mannich reaction of isatin imines with α,α-dicyanoolefins in the presence of a simple chiral amide phosphonium bifunctional phase transfer catalyst","Organic Chemistry Frontiers","2017","4","1","101","","10.1039/C6QO00546B","","","0.71073","MoKα","","0.0536","0.0363","","","0.0791","0.0854","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553570","8.4091","0.0001","8.4091","0.0001","29.3175","0.0006","90","","90","","90","","2073.13","0.05","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Xu, Meng-Meng; Wang, Hai-Qing; Wan, Ying; He, Guofeng; Yan, Jingjing; Zhang, Shu; Wang, Shu-Liang; Shi, Feng","Catalytic asymmetric substitution of ortho-hydroxybenzyl alcohols with tetronic acid-derived enamines: enantioselective synthesis of tetronic acid-derived diarylmethanes","Organic Chemistry Frontiers","2017","4","3","358","","10.1039/C6QO00549G","","","1.54178","CuKα","","0.0591","0.0574","","","0.1527","0.155","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553571","7.2915","0.0005","12.7983","0.001","15.9552","0.0009","90","","90","","90","","1488.92","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Cl N2 O3 -","- C15 H17 Cl N2 O3 -","- C60 H68 Cl4 N8 O12 -","4","1","","Peng, Xiao-Jiao; Ho, Yee Ann; Wang, Zhi-Peng; Shao, Pan-Lin; Zhao, Yu; He, Yun","Formal [3 + 2] cycloaddition of α-unsubstituted isocyanoacetates and methyleneindolinones: enantioselective synthesis of spirooxindoles","Organic Chemistry Frontiers","2017","4","1","81","","10.1039/C6QO00555A","","","0.71073","MoKα","","0.071","0.0481","","","0.095","0.1103","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553572","7.74798","0.00019","9.1129","0.0002","21.719","0.0005","90","","90","","90","","1533.5","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl F3 N3 O3 -","- C15 H11 Cl F3 N3 O3 -","- C60 H44 Cl4 F12 N12 O12 -","4","1","","Hao, Xin-Qi; Wang, Cong; Liu, Shuang-Liang; Wang, Xiao; Wang, Li; Gong, Jun-Fang; Song, Mao-Ping","Cobalt(ii)/(imidazoline–oxazoline)-catalyzed enantioselective Michael addition of 2-acetyl azaarenes to β-CF3-β-disubstituted nitroalkenes","Organic Chemistry Frontiers","2017","4","2","308","","10.1039/C6QO00562D","","x-ray","1.54184","CuKα","","0.039","0.0367","","","0.0913","0.094","","","","","","1.069","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553573","7.68","0.005","8.494","0.005","11.449","0.007","85.96","0.007","77.314","0.007","66.467","0.007","667.9","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N3 O S -","- C14 H13 N3 O S -","- C28 H26 N6 O2 S2 -","2","1","","Chen, Jichao; Wang, Tianyu; Wang, Tong; Lin, Aijun; Yao, Hequan; Xu, Jinyi","Copper-catalyzed C5-selective thio/selenocyanation of 8-aminoquinolines","Organic Chemistry Frontiers","2017","4","1","130","","10.1039/C6QO00590J","","","0.71073","MoKα","","0.0618","0.0458","","","0.1472","0.1661","","","","","","0.986","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553574","9.8916","0.0007","26.4389","0.0019","7.7778","0.0006","90","","90","","90","","2034.1","0.3","133","2","133","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C19 H23 Br N O3 P -","- C19 H23 Br N O3 P -","- C76 H92 Br4 N4 O12 P4 -","4","1","","Wang, Xubin; Wang, Xiaoming; Han, Zhaobin; Wang, Zheng; Ding, Kuiling","Palladium-catalyzed asymmetric allylic amination: enantioselective synthesis of chiral α-methylene substituted β-aminophosphonates","Organic Chemistry Frontiers","2017","4","2","271","","10.1039/C6QO00597G","","","0.71073","MoKα","","0.0629","0.0454","","","0.1077","0.1145","","","","","","1.092","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553575","21.2715","0.0003","21.2715","0.0003","64.3247","0.0014","90","","90","","90","","29105.4","0.9","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","azahelicene dimer","","- C153.47 H187.47 Cl4.41 N2 Si8 -","- C153.47 H187.479 Cl4.41 N2 Si8 -","- C1227.76 H1499.83 Cl35.28 N16 Si64 -","8","1","","Ushiyama, Ayako; Hiroto, Satoru; Yuasa, Junpei; Kawai, Tsuyoshi; Shinokubo, Hiroshi","Synthesis of a figure-eight azahelicene dimer with high emission and CPL properties","Organic Chemistry Frontiers","2017","4","5","664","","10.1039/C6QO00629A","","","0.71073","MoKα","","0.1947","0.1475","","","0.3637","0.4128","","","","","","1.172","","","","has coordinates,has disorder","235160","2020-10-21","18:00:00",""
"1553576","9.4639","0.0002","21.8249","0.0005","9.3192","0.0002","90","","104.752","0.003","90","","1861.42","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cl F N O2 -","- C21 H21 Cl F N O2 -","- C84 H84 Cl4 F4 N4 O8 -","4","1","","Li, Jianxiao; Hu, Weigao; Li, Chunsheng; Yang, Shaorong; Wu, Wanqing; Jiang, Huanfeng","Palladium-catalyzed cascade reaction of haloalkynes with unactivated alkenes for assembly of functionalized oxetanes","Organic Chemistry Frontiers","2017","4","3","373","","10.1039/C6QO00633G","","x-ray","1.54184","CuKα","","0.0476","0.0446","","","0.1182","0.1209","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553577","7.813","0.004","5.321","0.003","15.394","0.008","90","","91.594","0.008","90","","639.7","0.6","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 Br O2 -","- C15 H15 Br O2 -","- C30 H30 Br2 O4 -","2","1","","Li, Jing; Li, Zequan; Zhang, Xun; Xu, Bing; Shi, Yian","Catalytic enantioselective bromohydroxylation of aryl olefins with flexible functionalities","Organic Chemistry Frontiers","2017","4","6","1084","","10.1039/C6QO00636A","","","0.71073","MoKα","","0.0582","0.0575","","","0.1494","0.1501","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553578","5.651","0.002","16.364","0.007","38.4918","0.0016","90","","90","","90","","3559","2","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Br F O2 -","- C11 H14 Br F O2 -","- C132 H168 Br12 F12 O24 -","12","3","","Li, Jing; Li, Zequan; Zhang, Xun; Xu, Bing; Shi, Yian","Catalytic enantioselective bromohydroxylation of aryl olefins with flexible functionalities","Organic Chemistry Frontiers","2017","4","6","1084","","10.1039/C6QO00636A","","","0.71073","MoKα","","0.0824","0.0694","","","0.1075","0.1135","","","","","","1.159","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553579","10.248","0.006","14.634","0.007","11.146","0.005","90","","107.352","0.018","90","","1595.5","1.4","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 B F2 N5 O -","- C17 H12 B F2 N5 O -","- C68 H48 B4 F8 N20 O4 -","4","0.5","","Barbon, Stephanie M.; Novoa, Samantha; Bender, Desiree; Groom, Hilary; Luyt, Leonard G.; Gilroy, Joe B.","Copper-assisted azide‒alkyne cycloaddition chemistry as a tool for the production of emissive boron difluoride 3-cyanoformazanates","Organic Chemistry Frontiers","2017","4","2","178","","10.1039/C6QO00640J","","","0.71073","MoKα","","0.077","0.0428","","","0.0962","0.1107","","","","","","1.037","","","","has coordinates,has disorder","235166","2020-10-21","18:00:00",""
"1553580","7.3184","0.0002","13.4865","0.0003","17.4149","0.0004","101.672","0.002","94.139","0.002","101.918","0.002","1635.33","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Br2 Cl F3 -","- C16 H10 Br2 Cl F3 -","- C64 H40 Br8 Cl4 F12 -","4","2","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","1.54184","CuKα","","0.0611","0.0454","","","0.1445","0.1869","","","","","","1.067","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553581","7.8481","0.0005","10.5581","0.0007","12.2042","0.001","75.472","0.006","72.741","0.006","72.301","0.006","905.55","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Br F3 O -","- C20 H20 Br F3 O -","- C40 H40 Br2 F6 O2 -","2","1","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","1.54184","CuKα","","0.0414","0.0388","","","0.1066","0.1098","","","","","","1.022","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553582","8.3533","0.0005","9.4941","0.0004","12.1934","0.0007","100.216","0.004","97.306","0.005","100.289","0.004","923.7","0.09","105","8","105","8","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Br F3 O2 -","- C20 H20 Br F3 O2 -","- C40 H40 Br2 F6 O4 -","2","1","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","0.7107","MoKα","","0.0345","0.0286","","","0.0627","0.0651","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553583","16.4974","0.0002","6.84171","0.0001","28.6498","0.0003","90","","90","","90","","3233.72","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Br2 F3 -","- C18 H15 Br2 F3 -","- C144 H120 Br16 F24 -","8","1","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","1.5418","CuKα","","0.0263","0.0232","","","0.0596","0.0612","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553584","7.1399","0.0002","9.7404","0.0003","22.8361","0.0006","97.673","0.002","97.146","0.002","106.455","0.003","1487.32","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 Br2 F3 -","- C16 H11 Br2 F3 -","- C64 H44 Br8 F12 -","4","2","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","1.54184","CuKα","","0.0498","0.0469","","","0.1234","0.1276","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553585","22.8229","0.0015","7.4881","0.0004","16.5828","0.0011","90","","102.102","0.007","90","","2771","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 Br F3 -","- C17 H12 Br F3 -","- C136 H96 Br8 F24 -","8","1","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","1.54184","CuKα","","0.0498","0.0379","","","0.0933","0.1027","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553586","8.2233","0.0003","22.8182","0.0007","10.0565","0.0003","90","","109.447","0.004","90","","1779.36","0.11","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Br Cl F3 -","- C19 H17 Br Cl F3 -","- C76 H68 Br4 Cl4 F12 -","4","1","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","0.7107","MoKα","","0.0347","0.0266","","","0.0598","0.0631","","","","","","1.011","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553587","6.9379","0.0019","19.798","0.006","17.773","0.004","90","","90","","90","","2441.2","1.1","296","2","296","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C12 H11 I N2 O2 -","- C12 H11 I N2 O2 -","- C96 H88 I8 N16 O16 -","8","0.5","","He, Xin; Xu, Yi-zhu; Kong, Ling-xuan; Wu, Huan-huan; Ji, De-zhong; Wang, Zhi-bin; Xu, Yun-gen; Zhu, Qi-hua","Copper(i) and N-fluorobenzenesulfonimide-mediated direct regioselective halogenation of 8-amidoquinolines on the C5 position","Organic Chemistry Frontiers","2017","4","6","1046","","10.1039/C6QO00644B","","","0.71073","MoKα","","0.044","0.0379","","","0.0866","0.0901","","","","","","1.13","","","","has coordinates","235172","2020-10-21","18:00:00",""
"1553588","10.4263","0.0009","10.2668","0.0009","40.789","0.004","90","","90.6212","0.0014","90","","4366","0.7","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,3,3-tris(3,5-di-t-butyl)prop-1-yne, dichloromethane solvate","","- C46 H66 Cl2 -","- C45 H64 -","- C180 H256 -","4","1","","Prenzel, Dominik; Kirschbaum, Rolf W.; Chalifoux, Wesley A.; McDonald, Robert; Ferguson, Michael J.; Drewello, Thomas; Tykwinski, Rik R.","Polymerization of acetylene: polyynes, but not carbyne","Organic Chemistry Frontiers","2017","4","5","668","","10.1039/C6QO00648E","","","0.71073","MoKα","","0.0826","0.0607","","","0.1479","0.1593","","","","","","1.065","","","","has coordinates,has disorder","235174","2020-10-21","18:00:00",""
"1553589","10.3367","0.0013","10.4631","0.0013","19.275","0.002","88.5549","0.0018","78.0127","0.0018","88.5903","0.0019","2038.2","0.4","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","5,5,5-tris(3,5-di-t-butylphenyl)penta-1,3-diyne","","- C47 H64 -","- C47 H64 -","- C94 H128 -","2","1","","Prenzel, Dominik; Kirschbaum, Rolf W.; Chalifoux, Wesley A.; McDonald, Robert; Ferguson, Michael J.; Drewello, Thomas; Tykwinski, Rik R.","Polymerization of acetylene: polyynes, but not carbyne","Organic Chemistry Frontiers","2017","4","5","668","","10.1039/C6QO00648E","","","0.71073","MoKα","","0.0692","0.0523","","","0.1344","0.1467","","","","","","1.031","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553590","14.154","0.003","14.154","0.003","12.123","0.002","90","","90","","120","","2103.3","0.7","173","2","173","2","","","","","","","","2","P 3 1 c","P 3 -2c","159","","1,1,1-tris(3,5-di-t-butylphenyl)hepta-2,4,6-triyne","","- C49 H64 -","- C49 H64 -","- C98 H128 -","2","0.333333","","Prenzel, Dominik; Kirschbaum, Rolf W.; Chalifoux, Wesley A.; McDonald, Robert; Ferguson, Michael J.; Drewello, Thomas; Tykwinski, Rik R.","Polymerization of acetylene: polyynes, but not carbyne","Organic Chemistry Frontiers","2017","4","5","668","","10.1039/C6QO00648E","","","0.71073","MoKα","","0.072","0.0411","","","0.0776","0.0882","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553591","7.858","0.003","26.656","0.008","8.984","0.003","90","","90.001","0.001","90","","1881.8","1.1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F7 N2 O -","- C20 H13 F7 N2 O -","- C80 H52 F28 N8 O4 -","4","1","","Xu, Jun; Qiao, Li; Ying, Beibei; Zhu, Xiaolei; Shen, Chao; Zhang, Pengfei","Transition-metal-free direct perfluoroalkylation of quinoline amides at C5 position through radical cross-coupling under mild conditions","Organic Chemistry Frontiers","2017","4","6","1116","","10.1039/C6QO00655H","","","0.71073","MoKα","","0.1144","0.0545","","","0.1328","0.1523","","","","","","0.887","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553592","14.2771","0.0002","14.228","0.0002","22.6224","0.0004","90","","99.427","0.001","90","","4533.33","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 N2 Se2 Si4 -","- C44 H58 N2 Se2 Si4 -","- C176 H232 N8 Se8 Si16 -","4","1","","Xiong, Xiaodong; Deng, Chun-Lin; Li, Zhiming; Peng, Xiao-Shui; Wong, Henry N. C.","Quasi-planar diazadithio and diazodiseleno[8]circulenes: synthesis, structures and properties","Organic Chemistry Frontiers","2017","4","5","682","","10.1039/C6QO00662K","","","0.71073","MoKα","","0.1114","0.0471","","","0.094","0.1178","","","","","","1.01","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553593","14.2494","0.0006","14.1245","0.0006","22.4876","0.0009","90","","98.8","0.002","90","","4472.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 N2 S2 Si4 -","- C44 H58 N2 S2 Si4 -","- C176 H232 N8 S8 Si16 -","4","1","","Xiong, Xiaodong; Deng, Chun-Lin; Li, Zhiming; Peng, Xiao-Shui; Wong, Henry N. C.","Quasi-planar diazadithio and diazodiseleno[8]circulenes: synthesis, structures and properties","Organic Chemistry Frontiers","2017","4","5","682","","10.1039/C6QO00662K","","","0.71073","MoKα","","0.0919","0.0569","","","0.148","0.1716","","","","","","1.023","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553594","10.8503","0.0005","12.4427","0.0005","12.9897","0.0005","100.306","0.002","91.28","0.002","108.652","0.002","1628.82","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H22 Br8 N2 -","- C32 H22 Br8 N2 -","- C64 H44 Br16 N4 -","2","1","","Xiong, Xiaodong; Deng, Chun-Lin; Li, Zhiming; Peng, Xiao-Shui; Wong, Henry N. C.","Quasi-planar diazadithio and diazodiseleno[8]circulenes: synthesis, structures and properties","Organic Chemistry Frontiers","2017","4","5","682","","10.1039/C6QO00662K","","","0.71073","MoKα","","0.0558","0.0405","","","0.099","0.1057","","","","","","1.028","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553595","9.842","0.002","21.609","0.004","25.234","0.005","90","","91.32","0.03","90","","5365.2","1.8","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 N14 O4 -","- C50 H52 N14 O4 -","- C200 H208 N56 O16 -","4","1","","Zhang, Qian; Wang, Mei-Xiang","Synthesis of hydroxylated azacalix[1]arene[3]pyridines from hydrolysis of high valent arylcopper complexes and conversion to a double azacalix[1]arene[3]pyridine host molecule","Organic Chemistry Frontiers","2017","4","2","283","","10.1039/C6QO00669H","","","0.71073","MoKα","","0.1092","0.0942","","","0.2041","0.2128","","","","","","1.208","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553596","28.402","0.006","9.816","0.002","18.722","0.004","90","","90.7","0.03","90","","5219.2","1.9","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54.83 H62.12 Cl1.76 N16.83 O2 -","- C54.824 H62.12 Cl1.764 N16.824 O2 -","- C219.296 H248.48 Cl7.056 N67.296 O8 -","4","0.5","","Zhang, Qian; Wang, Mei-Xiang","Synthesis of hydroxylated azacalix[1]arene[3]pyridines from hydrolysis of high valent arylcopper complexes and conversion to a double azacalix[1]arene[3]pyridine host molecule","Organic Chemistry Frontiers","2017","4","2","283","","10.1039/C6QO00669H","","","0.71073","MoKα","","0.087","0.0805","","","0.2196","0.2259","","","","","","1.088","","","","has coordinates,has disorder","235183","2020-10-21","18:00:00",""
"1553597","9.6636","0.0003","15.1098","0.0006","18.1939","0.0007","69.768","0.004","84.466","0.003","84.513","0.003","2475.53","0.17","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H60 N16 O2 -","- C54 H60 N16 O2 -","- C108 H120 N32 O4 -","2","1","","Zhang, Qian; Wang, Mei-Xiang","Synthesis of hydroxylated azacalix[1]arene[3]pyridines from hydrolysis of high valent arylcopper complexes and conversion to a double azacalix[1]arene[3]pyridine host molecule","Organic Chemistry Frontiers","2017","4","2","283","","10.1039/C6QO00669H","","x-ray","0.71073","MoKα","","0.0858","0.0575","","","0.1283","0.1452","","","","","","1.0409","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553598","7.5051","0.0007","8.6296","0.0007","11.6509","0.0011","73.729","0.005","77.669","0.004","77.532","0.006","697.78","0.11","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H24 S2 -","- C40 H24 S2 -","- C40 H24 S2 -","1","0.5","","Lo, Yuan-Chih; Ting, Hao-Chun; Li, Ya-Ze; Li, Yi-Hua; Liu, Shun-Wei; Huang, Kuo-Wei; Wong, Ken-Tsung","The synthesis, structure, and properties of 5,6,11,12-tetraarylindeno[1,2-b]fluorenes and their applications as donors for organic photovoltaic devices","Organic Chemistry Frontiers","2017","4","5","675","","10.1039/C6QO00673F","","","0.71073","MoKα","","0.1065","0.0617","","","0.1647","0.1884","","","","","","1.036","","","","has coordinates","235187","2020-10-21","18:00:00",""
"1553599","16.8864","0.0004","7.4906","0.0002","24.7447","0.0007","90","","90","","90","","3129.94","0.14","200","2","200","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C46 H32 -","- C46 H32 -","- C184 H128 -","4","1","","Lo, Yuan-Chih; Ting, Hao-Chun; Li, Ya-Ze; Li, Yi-Hua; Liu, Shun-Wei; Huang, Kuo-Wei; Wong, Ken-Tsung","The synthesis, structure, and properties of 5,6,11,12-tetraarylindeno[1,2-b]fluorenes and their applications as donors for organic photovoltaic devices","Organic Chemistry Frontiers","2017","4","5","675","","10.1039/C6QO00673F","","","0.71073","MoKα","","0.0692","0.0504","","","0.1175","0.1276","","","","","","1.019","","","","has coordinates","235187","2020-10-21","18:00:00",""
"1553600","7.597","0.0004","8.9994","0.0004","11.0344","0.0005","78.931","0.002","75.805","0.002","83.409","0.002","715.94","0.06","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H28 -","- C44 H28 -","- C44 H28 -","1","0.5","","Lo, Yuan-Chih; Ting, Hao-Chun; Li, Ya-Ze; Li, Yi-Hua; Liu, Shun-Wei; Huang, Kuo-Wei; Wong, Ken-Tsung","The synthesis, structure, and properties of 5,6,11,12-tetraarylindeno[1,2-b]fluorenes and their applications as donors for organic photovoltaic devices","Organic Chemistry Frontiers","2017","4","5","675","","10.1039/C6QO00673F","","","0.71073","MoKα","","0.0955","0.0504","","","0.1131","0.1326","","","","","","0.988","","","","has coordinates","235187","2020-10-21","18:00:00",""
"1553601","26.478","0.002","8.1615","0.0006","23.0582","0.0017","90","","96.411","0.003","90","","4951.7","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N4 O5 S -","- C26 H22 N4 O5 S -","- C208 H176 N32 O40 S8 -","8","1","","Chen, Dianpeng; Xing, Gangdong; Yao, Jinzhong; Zhou, Hongwei","Applicable β-sulfonium carbanions: facile construction of thiophene derivatives","Organic Chemistry Frontiers","2017","4","6","1042","","10.1039/C6QO00675B","","","0.71073","MoKα","","0.1002","0.055","","","0.1165","0.1398","","","","","","1.003","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553602","7.9629","0.0003","16.9905","0.0006","18.7808","0.0005","90","","90","","90","","2540.92","0.15","294.06","0.1","294.06","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H9 N O S3 -","- C12 H9 N O S3 -","- C96 H72 N8 O8 S24 -","8","1","","Chen, Qiao; Lei, Yingjie; Wang, Yanfang; Wang, Chao; Wang, Yanan; Xu, Zhaoqing; Wang, Huan; Wang, Rui","Direct thiocyanation of ketene dithioacetals under transition-metal-free conditions","Organic Chemistry Frontiers","2017","4","3","369","","10.1039/C6QO00676K","","x-ray","0.71073","MoKα","","0.0697","0.0482","","","0.1129","0.1301","","","","","","1.049","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1553603","12.2302","0.0009","15.3106","0.0011","36.571","0.003","90","","90","","90","","6848","0.9","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C71 H46 B F24 Ir N O P -","- C71 H46 B F24 Ir N O P -","- C284 H184 B4 F96 Ir4 N4 O4 P4 -","4","1","","Wang, Qian; Zhang, Zongpeng; Chen, Caiyou; Yang, Hailong; Han, Zhengyu; Dong, Xiu-Qin; Zhang, Xumu","Iridium catalysts with modular axial-unfixed biphenyl phosphine‒oxazoline ligands: asymmetric hydrogenation of α,β-unsaturated carboxylic acids","Organic Chemistry Frontiers","2017","4","4","627","","10.1039/C6QO00677A","","","0.71073","MoKα","","0.0652","0.045","","","0.1009","0.1099","","","","","","1.007","","","","has coordinates","235193","2020-10-21","18:00:00",""
"1553604","11.1134","0.0005","21.1702","0.0009","9.8578","0.0004","90","","101.189","0.0013","90","","2275.19","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Cu N4 O8 -","- C26 H16 Cu N4 O8 -","- C104 H64 Cu4 N16 O32 -","4","1","","Baur, Andreas; Bustin, Katelyn A.; Aguilera, Ellen; Petersen, Jeffrey L.; Hoover, Jessica M.","Copper and silver benzoate and aryl complexes and their implications for oxidative decarboxylative coupling reactions","Organic Chemistry Frontiers","2017","4","4","519","","10.1039/C6QO00678G","","","0.71073","MoKα","","0.0616","0.037","","","0.078","0.0858","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553605","8.269","0.003","9.296","0.004","16.904","0.007","90","","93.281","0.004","90","","1297.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C64 H44 N4 O12 -","4","1","","Fang, Xinxin; Gao, Shang; Wu, Zijun; Yao, Hequan; Lin, Aijun","Pd(ii)-Catalyzed oxidative dearomatization of indoles: substrate-controlled synthesis of indolines and indolones","Organic Chemistry Frontiers","2017","4","2","292","","10.1039/C6QO00698A","","","0.71073","MoKα","","0.0456","0.0372","","","0.0974","0.1039","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553606","8.874","0.006","13.733","0.009","27.215","0.017","90","","90","","90","","3317","4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C176 H120 N8 O16 -","8","1","","Fang, Xinxin; Gao, Shang; Wu, Zijun; Yao, Hequan; Lin, Aijun","Pd(ii)-Catalyzed oxidative dearomatization of indoles: substrate-controlled synthesis of indolines and indolones","Organic Chemistry Frontiers","2017","4","2","292","","10.1039/C6QO00698A","","","0.71073","MoKα","","0.0465","0.0354","","","0.0886","0.0962","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553607","8.066","0.008","8.242","0.008","12.157","0.013","92.727","0.013","102.604","0.012","98.233","0.011","778","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2-((3-benzoylisoxazol-5-yl)methyl)isoindoline-1,3-dione","","","- C19 H12 N2 O4 -","- C19 H12 N2 O4 -","- C38 H24 N4 O8 -","2","1","","Li, Yingying; Gao, Mingchun; Liu, Bingxin; Xu, Bin","Copper nitrate-mediated chemo- and regioselective annulation from two different alkynes: a direct route to isoxazoles","Organic Chemistry Frontiers","2017","4","3","445","","10.1039/C6QO00704J","","","0.71073","MoKα","","0.0515","0.039","","","0.0985","0.1077","","","","","","1.086","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553608","9.4574","0.0007","9.9936","0.0009","14.0156","0.0013","89.023","0.007","76.071","0.007","71.074","0.008","1213.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H31 F2 N O3 -","- C26 H31 F2 N O3 -","- C52 H62 F4 N2 O6 -","2","1","","Xu, Jian; Song, Qiuling","Synthesis of fully-substituted 1,2,3-triazoles via copper(i)-catalyzed three-component coupling of sulfoximines, alkynes and azides","Organic Chemistry Frontiers","2017","4","6","938","","10.1039/C6QO00725B","","x-ray","0.71073","MoKα","","0.0814","0.0532","","","0.1352","0.156","","","","","","1.031","","","","has coordinates","300101","2025-06-17","17:58:10",""
"1553609","9.7469","0.0007","13.1171","0.0008","17.5212","0.0012","70.806","0.008","75.292","0.008","73.524","0.008","1996.5","0.3","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H40 O11 -","- C41 H40 O11 -","- C82 H80 O22 -","2","1","","Lu, Kui; Yang, Ke; Jia, Xiaoliang; Gao, Xing; Zhao, Xia; Pan, Guojun; Ma, Yantao; Huang, Qiyao; Yu, Peng","Total synthesis of I3,II8-biapigenin and ridiculuflavone A","Organic Chemistry Frontiers","2017","4","4","578","","10.1039/C6QO00726K","","","0.71073","MoKα","","0.0639","0.0482","","","0.1461","0.1549","","","","","","1.092","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553610","15.1534","0.001","15.8118","0.001","17.7296","0.001","68.774","0.004","76.898","0.005","79.352","0.005","3832","0.4","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H46 O11 -","- C43 H46 O11 -","- C172 H184 O44 -","4","2","","Lu, Kui; Yang, Ke; Jia, Xiaoliang; Gao, Xing; Zhao, Xia; Pan, Guojun; Ma, Yantao; Huang, Qiyao; Yu, Peng","Total synthesis of I3,II8-biapigenin and ridiculuflavone A","Organic Chemistry Frontiers","2017","4","4","578","","10.1039/C6QO00726K","","","0.71073","MoKα","","0.0567","0.0442","","","0.1178","0.1244","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553611","9.9046","0.0013","10.4946","0.0012","23.736","0.003","90","","90","","90","","2467.2","0.5","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 Cl0 N O4 -","- C31 H23 N O4 -","- C124 H92 N4 O16 -","4","1","","Xu, Junyu; Cao, Jing; Fang, Chao; Lu, Tao; Du, Ding","Organocatalytic C‒C bond activation of cyclopropenones for ring-opening formal [3 + 2] cycloaddition with isatins","Organic Chemistry Frontiers","2017","4","4","560","","10.1039/C6QO00734A","","","0.71073","MoKα","","0.1682","0.0492","","","0.0947","0.1414","","","","","","0.943","","","","has coordinates","235205","2020-10-21","18:00:00",""
"1553612","9.263","0.0019","16.211","0.003","15.413","0.003","90","","91.21","0.03","90","","2313.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 N O3 -","- C30 H21 N O3 -","- C120 H84 N4 O12 -","4","1","","Xu, Junyu; Cao, Jing; Fang, Chao; Lu, Tao; Du, Ding","Organocatalytic C–C bond activation of cyclopropenones for ring-opening formal [3 + 2] cycloaddition with isatins","Organic Chemistry Frontiers","2017","4","4","560","","10.1039/C6QO00734A","","","0.71073","MoKα","","0.144","0.0673","","","0.155","0.1945","","","","","","1","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553613","12.3342","0.0005","12.422","0.0005","20.4886","0.0009","94.35","0.003","97.642","0.003","100.981","0.003","3037.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38.5 H33 Cl O3 -","- C38.5 H33 Cl O3 -","- C154 H132 Cl4 O12 -","4","2","","Zhang, Yuexia; Wu, Xingxing; Hao, Lin; Wong, Zeng Rong; Lauw, Sherman J. L.; Yang, Song; Webster, Richard D.; Chi, Yonggui Robin","Trimerization of enones under air enabled by NHC/NaOtBu via a SET radical pathway","Organic Chemistry Frontiers","2017","4","3","467","","10.1039/C6QO00738D","","","0.71073","MoKα","","0.1569","0.0817","","","0.1959","0.2444","","","","","","1.021","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553614","9.077","0.004","10.4","0.004","11.75","0.005","90","","90","","90","","1109.2","0.8","173.15","","173.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Guo, Wei-Si; Wang, Yuan-Chao; Dou, Qian; Wen, Li-Rong; Li, Ming","A copper-catalyzed arylation/nucleophilic addition/fragmentation/C–S bond formation cascade: synthesis of bis(arylthio)imines","Organic Chemistry Frontiers","2017","4","4","510","","10.1039/C6QO00739B","","","0.71073","MoKα","","0.0383","0.0374","","","0.1194","0.1208","","","","","","1.013","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553615","8.189","0.002","14.782","0.004","17.421","0.005","90","","90","","90","","2108.8","1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O2 S2 -","- C23 H19 N O2 S2 -","- C92 H76 N4 O8 S8 -","4","1","","Guo, Wei-Si; Wang, Yuan-Chao; Dou, Qian; Wen, Li-Rong; Li, Ming","A copper-catalyzed arylation/nucleophilic addition/fragmentation/C–S bond formation cascade: synthesis of bis(arylthio)imines","Organic Chemistry Frontiers","2017","4","4","510","","10.1039/C6QO00739B","","","0.71073","MoKα","","0.0577","0.052","","","0.0937","0.0959","","","","","","1.15","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553616","10.5479","0.0013","16.6","0.002","13.9079","0.0017","90","","92.242","0.002","90","","2433.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 S4 Si2 -","- C22 H24 S4 Si2 -","- C88 H96 S16 Si8 -","4","1","","Li, Lu; Li, Bingbing; Li, Chunli; Ma, Zhiying; Xu, Li; Wang, Hua","Selective deprotonation of tetra[3,4]thienylene in the presence of n-BuLi","Organic Chemistry Frontiers","2017","4","6","1019","","10.1039/C6QO00754F","","","0.71073","MoKα","","0.0597","0.0447","","","0.1207","0.1333","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553617","20.763","0.003","20.763","0.003","13.7545","0.0018","90","","90","","90","","5929.6","1.4","296","2","296.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C44 H72 Li4 O4 S4 Si4 -","- C44 H72 Li4 O4 S4 Si4 -","- C176 H288 Li16 O16 S16 Si16 -","4","0.25","","Li, Lu; Li, Bingbing; Li, Chunli; Ma, Zhiying; Xu, Li; Wang, Hua","Selective deprotonation of tetra[3,4]thienylene in the presence of n-BuLi","Organic Chemistry Frontiers","2017","4","6","1019","","10.1039/C6QO00754F","","","0.71073","MoKα","","0.1222","0.0831","","","0.2424","0.2973","","","","","","1.024","","","","has coordinates","235211","2020-10-21","18:00:00",""
"1553618","5.7832","0.0006","10.4921","0.0011","12.3215","0.0012","90.576","0.003","97.913","0.002","93.157","0.003","739.28","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Chen, Hui; Lin, Cong; Xiong, Chunhua; Liu, Zhanxiang; Zhang, Yuhong","One-pot synthesis of fluorescent 2,4-dialkenylindoles by rhodium-catalyzed dual C–H functionalization","Organic Chemistry Frontiers","2017","4","3","455","","10.1039/C6QO00755D","","","0.71073","MoKα","","0.1123","0.0541","","","0.1153","0.1708","","","","","","1.002","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553619","13.585","0.004","12.569","0.003","9.741","0.003","90","","106.741","0.006","90","","1592.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F O -","- C21 H17 F O -","- C84 H68 F4 O4 -","4","1","","Cao, Tongxiang; Chen, Kai; Zhu, Shifa","An efficient approach to generate aryl carbenes: gold-catalyzed sequential activation of 1,6-diynes","Organic Chemistry Frontiers","2017","4","3","450","","10.1039/C6QO00769D","","","0.71073","MoKα","","0.1216","0.0562","","","0.1286","0.1552","","","","","","0.984","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553620","12.3103","0.0016","20.299","0.003","6.9248","0.0009","90","","95.884","0.003","90","","1721.3","0.4","130","","130","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 O -","- C23 H26 O -","- C92 H104 O4 -","4","1","","Cao, Tongxiang; Chen, Kai; Zhu, Shifa","An efficient approach to generate aryl carbenes: gold-catalyzed sequential activation of 1,6-diynes","Organic Chemistry Frontiers","2017","4","3","450","","10.1039/C6QO00769D","","","0.71073","MoKα","","0.0754","0.0487","","","0.1184","0.133","","","","","","1.023","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553621","12.4994","0.0013","13.1859","0.0014","16.0253","0.0017","102.651","0.005","95.439","0.006","92.29","0.006","2560.5","0.5","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H28 F20 N6 O2 -","- C60 H28 F20 N6 O2 -","- C120 H56 F40 N12 O4 -","2","1","","Almeida, José; Aguiar, António; Leite, Andreia; Silva, André M. N.; Cunha-Silva, Luís; de Castro, Baltazar; Rangel, Maria; Barone, Giampaolo; Tomé, Augusto C.; Silva, Ana M. G.","1,3-Dipolar cycloadditions with meso-tetraarylchlorins ‒ site selectivity and mixed bisadducts","Organic Chemistry Frontiers","2017","4","4","534","","10.1039/C6QO00771F","","","0.71073","MoKα","","0.1877","0.1387","","","0.4059","0.434","","","","","","1.614","","","","has coordinates","235216","2020-10-21","18:00:00",""
"1553622","15.6516","0.0005","14.7041","0.0004","20.8303","0.0006","90","","90","","90","","4793.9","0.2","180","","180","","","","101","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H30 N4 O2 Si -","- C23 H30 N4 O2 Si -","- C184 H240 N32 O16 Si8 -","8","1","","Morozova, Maria A.; Yusubov, Mekhman S.; Kratochvil, Bohumil; Eigner, Václav; Bondarev, Alexander A.; Yoshimura, Akira; Saito, Akio; Zhdankin, Viktor V.; Trusova, Marina E.; Postnikov, Pavel S.","Regioselective Zn(OAc)2-catalyzed azide–alkyne cycloaddition in water: the green click-chemistry","Organic Chemistry Frontiers","2017","4","6","978","","10.1039/C6QO00787B","","","0.71073","MoKα","","0.048","0.0389","","0.1007","0.0942","0.1005","","","","","","1.0233","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553623","9.4684","0.0003","10.4692","0.0004","12.771","0.0004","96.2634","0.0012","95.7478","0.0012","113.644","0.0011","1138.27","0.07","180","","180","","","","101","","","","","5","P -1","-P 1","2","","","","- C20 H21 N5 O2 Si -","- C20 H21 N5 O2 Si -","- C40 H42 N10 O4 Si2 -","2","1","","Morozova, Maria A.; Yusubov, Mekhman S.; Kratochvil, Bohumil; Eigner, Václav; Bondarev, Alexander A.; Yoshimura, Akira; Saito, Akio; Zhdankin, Viktor V.; Trusova, Marina E.; Postnikov, Pavel S.","Regioselective Zn(OAc)2-catalyzed azide–alkyne cycloaddition in water: the green click-chemistry","Organic Chemistry Frontiers","2017","4","6","978","","10.1039/C6QO00787B","","","1.54178","CuKα","","0.0524","0.0469","","0.1317","0.1269","0.1317","","","","","","1.0042","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553624","16.2913","0.0007","10.0932","0.0004","19.7897","0.0008","90","","112.895","0.0012","90","","2997.7","0.2","180","","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Br3 N3 -","- C14 H8 Br3 N3 -","- C112 H64 Br24 N24 -","8","2","","Morozova, Maria A.; Yusubov, Mekhman S.; Kratochvil, Bohumil; Eigner, Václav; Bondarev, Alexander A.; Yoshimura, Akira; Saito, Akio; Zhdankin, Viktor V.; Trusova, Marina E.; Postnikov, Pavel S.","Regioselective Zn(OAc)2-catalyzed azide–alkyne cycloaddition in water: the green click-chemistry","Organic Chemistry Frontiers","2017","4","6","978","","10.1039/C6QO00787B","","","0.71073","MoKα","","0.0659","0.0374","","0.0956","0.0746","0.0956","","","","","","0.9177","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553625","8.9462","0.0005","11.9145","0.0006","43.549","0.002","90","","90","","90","","4641.9","0.4","180","","180","","","","101","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H34 N4 O2 Si -","- C21 H34 N4 O2 Si -","- C168 H272 N32 O16 Si8 -","8","1","","Morozova, Maria A.; Yusubov, Mekhman S.; Kratochvil, Bohumil; Eigner, Václav; Bondarev, Alexander A.; Yoshimura, Akira; Saito, Akio; Zhdankin, Viktor V.; Trusova, Marina E.; Postnikov, Pavel S.","Regioselective Zn(OAc)2-catalyzed azide–alkyne cycloaddition in water: the green click-chemistry","Organic Chemistry Frontiers","2017","4","6","978","","10.1039/C6QO00787B","","","1.54178","CuKα","","0.0668","0.0577","","0.1162","0.1136","0.1162","","","","","","0.9617","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553626","11.9761","0.0003","15.4866","0.0004","11.0055","0.0003","90","","106.167","0.001","90","","1960.46","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O4 -","- C25 H20 O4 -","- C100 H80 O16 -","4","1","","Mao, Wenbin; Zhu, Chen","Efficient synthesis of multiply substituted butenolides from keto acids and terminal alkynes promoted by combined acids","Organic Chemistry Frontiers","2017","4","6","1029","","10.1039/C6QO00820H","","","0.71073","MoKα","","0.0815","0.0435","","","0.1177","0.1338","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553627","8.8576","0.0007","9.515","0.0007","15.8743","0.0012","79.571","0.002","74.479","0.002","86.413","0.002","1267.66","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H18 Fe O4 -","- C35 H18 Fe O4 -","- C70 H36 Fe2 O8 -","2","1","","Cheung, Kwan Yin; Yang, Shuaijun; Miao, Qian","From tetrabenzoheptafulvalene to sp2 carbon nano-rings","Organic Chemistry Frontiers","2017","4","5","699","","10.1039/C6QO00828C","","","0.71073","MoKα","","0.0571","0.0504","","","0.1402","0.1485","","","","","","1.058","","","","has coordinates","235222","2020-10-21","18:00:00",""
"1553628","12.737","0.003","10.827","0.003","15.738","0.004","90","","105.708","0.006","90","","2089.3","0.9","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H18 O -","- C32 H18 O -","- C128 H72 O4 -","4","1","","Cheung, Kwan Yin; Yang, Shuaijun; Miao, Qian","From tetrabenzoheptafulvalene to sp2 carbon nano-rings","Organic Chemistry Frontiers","2017","4","5","699","","10.1039/C6QO00828C","","","0.71073","MoKα","","0.1793","0.0997","","","0.2401","0.2908","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553629","10.5417","0.0004","14.8356","0.0005","24.1274","0.0008","90","","90","","90","","3773.3","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H29 Cl3 O4 -","- C51 H29 Cl3 O4 -","- C204 H116 Cl12 O16 -","4","1","","Cheung, Kwan Yin; Yang, Shuaijun; Miao, Qian","From tetrabenzoheptafulvalene to sp2 carbon nano-rings","Organic Chemistry Frontiers","2017","4","5","699","","10.1039/C6QO00828C","","","1.54178","CuKα","","0.0909","0.0536","","","0.1126","0.131","","","","","","1.023","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553630","12.3541","0.0003","20.5251","0.0006","15.593","0.0004","90","","111.562","0.0016","90","","3677.21","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H30 Cl2 O -","- C51 H30 Cl2 O -","- C204 H120 Cl8 O4 -","4","1","","Cheung, Kwan Yin; Yang, Shuaijun; Miao, Qian","From tetrabenzoheptafulvalene to sp2 carbon nano-rings","Organic Chemistry Frontiers","2017","4","5","699","","10.1039/C6QO00828C","","","0.71073","MoKα","","0.1194","0.0675","","","0.1717","0.2047","","","","","","1.017","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553631","12.2233","0.0002","20.4397","0.0003","15.612","0.0002","90","","111.759","0.0009","90","","3622.59","0.09","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H30 Cl2 -","- C51 H30 Cl2 -","- C204 H120 Cl8 -","4","1","","Cheung, Kwan Yin; Yang, Shuaijun; Miao, Qian","From tetrabenzoheptafulvalene to sp2 carbon nano-rings","Organic Chemistry Frontiers","2017","4","5","699","","10.1039/C6QO00828C","","","0.71073","MoKα","","0.0755","0.0569","","","0.1481","0.165","","","","","","1.007","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553632","8.8208","0.0003","12.857","0.0004","18.1141","0.0005","90","","90","","90","","2054.3","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Br N2 O5 S -","- C20 H19 Br N2 O5 S -","- C80 H76 Br4 N8 O20 S4 -","4","1","","Yu, Lu; Cheng, Yuyu; Qi, Fei; Li, Rou; Li, Pengfei","Organocatalytic regioselective, diastereoselective, and enantioselective annulation of cyclic 1-azadienes with γ-nitro ketones via 3,4-cyclization","Organic Chemistry Frontiers","2017","4","7","1336","","10.1039/C6QO00832A","","","0.71073","MoKα","","0.1259","0.0514","","","0.0608","0.0689","","","","","","0.994","","","","has coordinates","235224","2020-10-21","18:00:00",""
"1553633","5.768","0.002","9.924","0.004","20.463","0.007","100.063","0.004","91.086","0.004","92.46","0.004","1151.8","0.7","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H25 N3 -","- C29 H25 N3 -","- C58 H50 N6 -","2","1","","Zhao, Fen; Liu, Yaowen; Yang, Shu; Xie, Kai; Jiang, Yubo","Pd-catalyzed selective N(3)-ortho C–H arylation of 1,4-disubstituted 1,2,3-triazoles","Organic Chemistry Frontiers","2017","4","6","1112","","10.1039/C6QO00834H","","","0.71073","MoKα","","0.0692","0.0457","","","0.1142","0.129","","","","","","1.025","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553634","16.003","0.005","7.036","0.002","16.456","0.005","90","","101.876","0.004","90","","1813.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Br2 N O2 -","- C21 H15 Br2 N O2 -","- C84 H60 Br8 N4 O8 -","4","1","","Qiu, Guanyinsheng; Li, Yuewen; Ma, Lele; Zhou, Hongwei","KBr/K2S2O8-mediated dibromohydration of N-(2-alkynylaryl)acetamide","Organic Chemistry Frontiers","2017","4","6","1069","","10.1039/C6QO00840B","","","0.71073","MoKα","","0.0404","0.0328","","","0.0954","0.0996","","","","","","1.069","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553635","15.552","0.005","9.109","0.003","20","0.006","90","","111.508","0.005","90","","2636","1.5","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 N O3 -","- C33 H31 N O3 -","- C132 H124 N4 O12 -","4","1","","Liu, Feng; Tian, Jiaxin; Liu, Yong; Tao, Chuangan; Zhu, Hao; Zhang, Aina; Xu, Dongfang; Zhao, Baoguo","Decarboxylative Umpolung of conjugated enals to β-carbanions for intramolecular nucleophilic addition to an aldehyde","Organic Chemistry Frontiers","2017","4","8","1586","","10.1039/C6QO00846A","","","0.71073","MoKα","","0.1011","0.0555","","","0.1276","0.1513","","","","","","0.997","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553636","7.7445","0.0012","13.971","0.002","19.15","0.003","90","","90","","90","","2072","0.5","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2'R,3'R,4'R)-4'-benzoyl-1-methyl-3'-phenyl-5'-thioxospiro[indoline-3,2'-pyrrolidin]-2-one","","- C25 H20 N2 O2 S -","- C25 H20 N2 O2 S -","- C100 H80 N8 O8 S4 -","4","1","","Lin, Ye; Liu, Lei; Du, Da-Ming","Squaramide-catalyzed asymmetric Michael/cyclization cascade reaction of 3-isothiocyanato oxindoles with chalcones for synthesis of pyrrolidinyl spirooxindoles","Organic Chemistry Frontiers","2017","4","7","1229","","10.1039/C6QO00852F","","","0.71073","MoKα","","0.0394","0.0361","","","0.0806","0.0827","","","","","","1.001","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553637","8.4855","0.0004","15.887","0.0007","25.5299","0.0013","90","","90","","90","","3441.7","0.3","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N3 O5 -","- C16 H21 N3 O5 -","- C128 H168 N24 O40 -","8","2","","Deng, Tao; Thota, Ganesh Kumar; Li, Yi; Kang, Qiang","Enantioselective conjugate addition of hydroxylamines to α,β-unsaturated 2-acyl imidazoles catalyzed by a chiral-at-metal Rh(iii) complex","Organic Chemistry Frontiers","2017","4","4","573","","10.1039/C6QO00865H","","","1.54184","CuKα","","0.0489","0.0384","","","0.0804","0.0857","","","","","","1.003","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553638","11.882","0.002","6.1567","0.0013","22.083","0.004","90","","99.617","0.015","90","","1592.8","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N2 O4 -","- C36 H40 N2 O4 -","- C72 H80 N4 O8 -","2","0.5","","Purc, Anna; Koszarna, Beata; Iachina, Irina; Friese, Daniel H.; Tasior, Mariusz; Sobczyk, Krzysztof; Pędziński, Tomasz; Brewer, Jonathan; Gryko, Daniel T.","The impact of interplay between electronic and steric effects on the synthesis and the linear and non-linear optical properties of diketopyrrolopyrrole bearing benzofuran moieties","Organic Chemistry Frontiers","2017","4","5","724","","10.1039/C6QO00869K","","","1.54178","CuKα","","0.1821","0.0736","","","0.1614","0.1933","","","","","","0.938","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553639","20.477","0.0009","5.2589","0.0002","28.0402","0.0012","90","","101.007","0.0019","90","","2964","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N2 O2 S3 -","- C32.4 H37.76 N2 O2 S2.908 -","- C129.6 H151.04 N8 O8 S11.632 -","4","1","","Chen, Wangqiao; Nakano, Masahiro; Takimiya, Kazuo; Zhang, Qichun","Selective thionation of naphtho[2,3-b]thiophene diimide: tuning of the optoelectronic properties and packing structure","Organic Chemistry Frontiers","2017","4","5","704","","10.1039/C6QO00871B","","","1.54187","CuKα","","0.1155","0.0889","","","0.2224","0.2399","","","","","","1.277","","","","has coordinates,has disorder","235238","2020-10-21","18:00:00",""
"1553724","10.445","0.002","14.347","0.003","14.407","0.003","82.53","0.03","85.3","0.03","74.55","0.03","2060.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 Cl N2 O0 Ru -","- C22 H23 Cl N2 Ru -","- C88 H92 Cl4 N8 Ru4 -","4","2","","Li, Gang; Lv, Xulu; Guo, Kexiao; Wang, Ya; Yang, Suling; Yu, Liuyang; Yu, Yantang; Wang, Junjie","Ruthenium-catalyzed meta-selective C‒H sulfonation of azoarenes with arylsulfonyl chlorides","Organic Chemistry Frontiers","2017","4","6","1145","","10.1039/C7QO00004A","","","0.71073","MoKα","","0.0817","0.0695","","","0.1802","0.1846","","","","","","1.105","","","","has coordinates","235944","2020-10-21","18:00:00",""
"1553725","34.644","0.007","7.0976","0.0014","13.544","0.003","90","","98.63","0.03","90","","3292.6","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 Cl N2 O2 S -","- C18 H13 Cl N2 O2 S -","- C144 H104 Cl8 N16 O16 S8 -","8","1","","Li, Gang; Lv, Xulu; Guo, Kexiao; Wang, Ya; Yang, Suling; Yu, Liuyang; Yu, Yantang; Wang, Junjie","Ruthenium-catalyzed meta-selective C–H sulfonation of azoarenes with arylsulfonyl chlorides","Organic Chemistry Frontiers","2017","4","6","1145","","10.1039/C7QO00004A","","","0.71073","MoKα","","0.0632","0.0409","","","0.1337","0.1539","","","","","","1.002","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553726","11.4884","0.0005","11.9792","0.0005","20.8251","0.0008","90","","90","","90","","2866","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O7 -","- C16 H15 N O7 -","- C128 H120 N8 O56 -","8","2","","Wang, Junliang; Li, Jianneng; Shen, Xianwang; Dong, Cong; Lin, Jun; Wei, Kun","Asymmetric total synthesis of (−)-δ-lycorane","Organic Chemistry Frontiers","2017","4","6","1149","","10.1039/C7QO00021A","","","1.54178","CuKα","","0.0535","0.0527","","","0.1534","0.1545","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553727","13.8813","0.0006","14.4392","0.0007","23.5317","0.0011","95.8618","0.0012","105.365","0.0012","91.4814","0.0011","4517.3","0.4","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H46 N4.5 -","- C60 H46 N4.5 -","- C240 H184 N18 -","4","2","","Kimura, Yosuke; Kawajiri, Ikumi; Ueki, Masanori; Morimoto, Takayuki; Nishida, Jun-ichi; Ikeda, Hiroshi; Tanaka, Mirai; Kawase, Takeshi","A new fluorophore displaying remarkable solvatofluorochromism and solid-state light emission, and serving as a turn-on fluorescent sensor for cyanide ions","Organic Chemistry Frontiers","2017","4","5","743","","10.1039/C7QO00029D","","","0.71075","MoKα","","0.2091","0.0714","","","0.1685","0.2407","","","","","","0.938","","","","has coordinates,has disorder","274176","2022-03-31","10:10:26",""
"1553728","11.5","0.004","10.46","0.004","11.413","0.005","90","","95.06","0.008","90","","1367.5","0.9","130","","130","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C11 H16 F3 N O2 S2 -","- C11 H16 F3 N O2 S2 -","- C44 H64 F12 N4 O8 S8 -","4","1","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0455","0.0404","","","0.0934","0.0982","","","","","","1.108","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553729","6.6977","0.0005","8.1914","0.0006","30.513","0.002","90","","90","","90","","1674.1","0.2","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H10 F4 O2 S -","- C19 H10 F4 O2 S -","- C76 H40 F16 O8 S4 -","4","1","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0353","0.0334","","","0.0865","0.0875","","","","","","1.067","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553730","7.5426","0.0006","13.2312","0.001","15.9887","0.0013","90","","90","","90","","1595.6","0.2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F3 O5 S -","- C15 H15 F3 O5 S -","- C60 H60 F12 O20 S4 -","4","1","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0307","0.0273","","","0.07","0.0719","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553731","8.5502","0.0008","11.0835","0.0011","16.8212","0.0016","90","","90","","90","","1594.1","0.3","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 F3 N2 O S -","- C17 H11 F3 N2 O S -","- C68 H44 F12 N8 O4 S4 -","4","1","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0471","0.0397","","","0.0975","0.1022","","","","","","1.036","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553732","7.7869","0.0006","10.8732","0.0008","8.8809","0.0007","90","","95.062","0.001","90","","749","0.1","130","","130","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C11 H14 Cl2 F3 N O2 S2 -","- C11 H14 Cl2 F3 N O2 S2 -","- C22 H28 Cl4 F6 N2 O4 S4 -","2","1","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0292","0.0285","","","0.072","0.0725","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553733","12.4266","0.0017","8.8229","0.0012","15.107","0.002","90","","105.7","0.003","90","","1594.5","0.4","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H20 F3 N O4 S2 -","- C13 H20 F3 N O4 S2 -","- C52 H80 F12 N4 O16 S8 -","4","2","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0445","0.0379","","","0.0862","0.0904","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553734","15.566","0.002","15.831","0.0016","17.7553","0.0019","80.813","0.006","89.907","0.011","88.251","0.009","4317.2","0.8","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C101 H110 N4 Ni P Pt0.5 -","- C101 H110 N4 Ni P Pt0.5 -","- C202 H220 N8 Ni2 P2 Pt -","2","1","","Fukui, Norihito; Jiang, Hua-Wei; Osuka, Atsuhiro","meso-to-meso PtII-bridged NiII-porphyrin dimers","Organic Chemistry Frontiers","2017","4","5","767","","10.1039/C7QO00093F","","","1.54187","CuKα","","0.0341","0.0313","","","0.0799","0.081","","","","","","1.042","","","","has coordinates,has disorder","235954","2020-10-21","18:00:00",""
"1553735","16.142","0.003","21.227","0.004","22.446","0.004","106.1","0.005","92.132","0.001","93.364","0.006","7365","2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C162 H174 Cl10 N8 Ni2 Pt -","- C162 H174 Cl10 N8 Ni2 Pt -","- C324 H348 Cl20 N16 Ni4 Pt2 -","2","1","","Fukui, Norihito; Jiang, Hua-Wei; Osuka, Atsuhiro","meso-to-meso PtII-bridged NiII-porphyrin dimers","Organic Chemistry Frontiers","2017","4","5","767","","10.1039/C7QO00093F","","","1.54187","CuKα","","0.0683","0.0581","","","0.1606","0.1669","","","","","","1.054","","","","has coordinates,has disorder","235954","2020-10-21","18:00:00",""
"1553736","13.8397","0.0009","24.2642","0.0013","16.7166","0.0013","90","","109.444","0.008","90","","5293.4","0.7","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H38 Br N O8 -","- C76 H38 Br N O8 -","- C304 H152 Br4 N4 O32 -","4","1","","Xu, Dan; Li, Yanbang; Lou, Ning; Gan, Liangbing","Synthesis of homoazafullerene [C59N(CH2)]R and azahomoazafullerene [C59N(NH)]R","Organic Chemistry Frontiers","2017","4","5","750","","10.1039/C7QO00098G","","","0.71073","MoKα","","0.1521","0.0699","","","0.1429","0.1714","","","","","","0.921","","","","has coordinates","235956","2020-10-21","18:00:00",""
"1553737","21.489","0.004","10.179","0.002","22.215","0.004","90","","90","","90","","4859.2","1.6","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C76 H39 N O9 -","- C76 H39 N O9 -","- C304 H156 N4 O36 -","4","1","","Xu, Dan; Li, Yanbang; Lou, Ning; Gan, Liangbing","Synthesis of homoazafullerene [C59N(CH2)]R and azahomoazafullerene [C59N(NH)]R","Organic Chemistry Frontiers","2017","4","5","750","","10.1039/C7QO00098G","","","0.71073","MoKα","","0.0804","0.0656","","","0.1822","0.1998","","","","","","1.054","","","","has coordinates,has disorder","235956","2020-10-21","18:00:00",""
"1553738","17.5147","0.001","7.024","0.003","15.73","0.009","90","","114.033","0.006","90","","1767.4","1.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(3-(4-bromophenyl)-5-methylene-2-oxooxazolidin-4-yl)-4-methylbenzenesulfonamide","","- C17 H13 Br N2 O4 S -","- C17 H13 Br N2 O4 S -","- C68 H52 Br4 N8 O16 S4 -","4","1","","Pal, Kuntal; Volla, Chandra M. R.","Rhodium-catalyzed denitrogenative transannulation of 1,2,3-triazolyl-carbamates: efficient access to 4-aminooxazolidinones","Organic Chemistry Frontiers","2017","4","7","1380","","10.1039/C7QO00101K","","","0.7107","MoKα","","0.0547","0.0451","","","0.0991","0.1046","","","","","","1.091","","","","has coordinates","235958","2020-10-21","18:00:00",""
"1553739","25.513","0.013","13.881","0.008","6.794","0.004","90","","90","","90","","2406","2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-fluoro-2-phenyl-1H-indole-1-carbonitrile","","- C15 H9 F N2 -","- C15 H9 F N2 -","- C120 H72 F8 N16 -","8","1","","Panaka, Sangeetha; Trivedi, Rajiv; Sony, T.; Prabhakar, S.; Raju Chowhan, L.","Silver(i) catalyzed intramolecular cyclization of N-(2-(alk-1-yn-1-yl))-1H-tetrazoles leading to the formation of N-cyano-2-substituted indoles under ambient conditions","Org. Chem. Front.","2017","4","8","1574","","10.1039/C7QO00109F","","","0.71075","MoKα","","","0.1134","","","","0.3222","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553740","25.555","0.002","14.1257","0.0011","6.8724","0.0006","90","","90","","90","","2480.8","0.3","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-methyl-2-phenyl-1H-indole-1-carbonitrile","","- C16 H13 N2 -","- C16 H12 N2 -","- C128 H96 N16 -","8","1","","Panaka, Sangeetha; Trivedi, Rajiv; Sony, T.; Prabhakar, S.; Raju Chowhan, L.","Silver(i) catalyzed intramolecular cyclization of N-(2-(alk-1-yn-1-yl))-1H-tetrazoles leading to the formation of N-cyano-2-substituted indoles under ambient conditions","Org. Chem. Front.","2017","4","8","1574","","10.1039/C7QO00109F","","","0.71075","MoKα","","","0.0467","","","","0.1541","","","","","","0.92","","","","has coordinates","235960","2020-10-21","18:00:00",""
"1553741","28.543","0.006","7.309","0.0015","16.361","0.003","90","","105.04","0.03","90","","3296.3","1.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C152 H176 O24 -","8","1","","Chang, Wenju; Dai, Jie; Li, Jingfu; Shi, Yuan; Ren, Wenlong; Shi, Yian","A facile approach to ketones via Pd-catalyzed sequential carbonylation of olefins with formic acid","Organic Chemistry Frontiers","2017","4","6","1074","","10.1039/C7QO00111H","","","0.71073","MoKα","","0.1583","0.0639","","","0.1064","0.1411","","","","","","1.002","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553742","5.69674","0.00011","8.92923","0.00016","19.6982","0.0005","90","","94.927","0.002","90","","998.3","0.04","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N O2 S -","- C22 H16 N2 O4 S2 -","- C44 H32 N4 O8 S4 -","2","0.5","","Ammon, Felix; Sauer, Stephanie Theresia; Lippert, Rainer; Lungerich, Dominik; Reger, David; Hampel, Frank; Jux, Norbert","Unexpected formation of [5]helicenes from hexaarylbenzenes containing pyrrole moieties","Organic Chemistry Frontiers","2017","4","5","861","","10.1039/C7QO00112F","","x-ray","1.54184","CuKα","","0.0465","0.043","","","0.1146","0.1186","","","","","","1.054","","","","has coordinates","235964","2020-10-21","18:00:00",""
"1553743","14.0225","0.0007","15.4902","0.001","15.6494","0.0005","109.303","0.004","105.791","0.004","106.459","0.005","2814.2","0.3","152.7","1","152.7","1","","","","","","","","6","P -1","-P 1","2","","","","- C67.5 H66 Cl3 N O2 S -","- C67.5 H66 Cl3 N O2 S -","- C135 H132 Cl6 N2 O4 S2 -","2","1","","Ammon, Felix; Sauer, Stephanie Theresia; Lippert, Rainer; Lungerich, Dominik; Reger, David; Hampel, Frank; Jux, Norbert","Unexpected formation of [5]helicenes from hexaarylbenzenes containing pyrrole moieties","Organic Chemistry Frontiers","2017","4","5","861","","10.1039/C7QO00112F","","x-ray","1.54184","CuKα","","0.0797","0.0729","","","0.1995","0.2094","","","","","","1.021","","","","has coordinates,has disorder","235964","2020-10-21","18:00:00",""
"1553744","8.2685","0.0016","13.793","0.003","17.645","0.003","72.588","0.003","88.716","0.003","77.009","0.002","1868.8","0.6","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C84 H108 Si4 -","- C84 H108 Si4 -","- C84 H108 Si4 -","1","0.5","","Bettinger, Holger F.; Einholz, Ralf; Göttler, Andreas; Junge, Marc; Sättele, Marie-Sophie; Schnepf, Andreas; Schrenk, Claudio; Schundelmeier, Simon; Speiser, Bernd","6,6′,11,11′-Tetra((triisopropylsilyl)ethynyl)-anti-[2.2](1,4)tetracenophane: a covalently coupled tetracene dimer and its structural, electrochemical, and photophysical characterization","Organic Chemistry Frontiers","2017","4","5","853","","10.1039/C7QO00117G","","","0.8","synchrotron","","0.0904","0.0564","","","0.1314","0.1438","","","","","","1.015","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553745","6.121","0.005","8.835","0.007","13.265","0.012","83.14","0.02","79.6","0.02","72.93","0.02","672.8","1","296","2","296","2","","","","","","","synthesis","5","P -1","-P 1","2","","(E)-6-methyl-N-(1-phenylethylidene)pyridine-2-sulfonamide","","- C14 H14 N2 O2 S -","- C14 H14 N2 O2 S -","- C28 H28 N4 O4 S2 -","2","1","","Wang, Bin; Xu, Tong; Zhu, Lei; Lan, Yu; Wang, Jingdong; Lu, Ning; Wei, Zhonglin; Lin, Yingjie; Duan, Haifeng","Highly enantioselective nitro-Mannich reaction of ketimines under phase-transfer catalysis","Organic Chemistry Frontiers","2017","4","7","1266","","10.1039/C7QO00124J","","","0.71073","MoKα","","0.0942","0.0655","","","0.1851","0.2162","","","","","","0.967","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553746","8.6132","0.0015","7.4744","0.0014","12.867","0.003","90","","109.429","0.005","90","","781.2","0.3","296","2","296","2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","(R)-6-methyl-N-(1-nitro-2-phenylpropan-2-yl)pyridine-2-sulfonamide","","- C15 H17 N3 O4 S -","- C15 H17 N3 O4 S -","- C30 H34 N6 O8 S2 -","2","1","","Wang, Bin; Xu, Tong; Zhu, Lei; Lan, Yu; Wang, Jingdong; Lu, Ning; Wei, Zhonglin; Lin, Yingjie; Duan, Haifeng","Highly enantioselective nitro-Mannich reaction of ketimines under phase-transfer catalysis","Organic Chemistry Frontiers","2017","4","7","1266","","10.1039/C7QO00124J","","","0.71073","MoKα","","0.0385","0.0352","","","0.0849","0.0874","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553747","21.7066","0.0008","21.7067","0.0008","20.1949","0.0013","90","","122.509","0.003","90","","8024.4","0.7","213","2","213","2","","","","","","","","2","C 1 c 1","C -2yc","9","","1,4,1',4?-tetramethyl-9,9?-bifluorenylidene","","- C30 H24 -","- C30 H24 -","- C480 H384 -","16","4","","Takai, Atsuro; Freas, Dylan J.; Suzuki, Toshikane; Sugimoto, Manabu; Labuta, Jan; Haruki, Rie; Kumai, Reiji; Adachi, Shin-ichi; Sakai, Hayato; Hasobe, Taku; Matsushita, Yoshitaka; Takeuchi, Masayuki","The effect of a highly twisted CC double bond on the electronic structures of 9,9′-bifluorenylidene derivatives in the ground and excited states","Organic Chemistry Frontiers","2017","4","5","650","","10.1039/C7QO00125H","","","0.71073","MoKα","","0.1838","0.0776","","","0.1578","0.2027","","","","","","0.874","","","","has coordinates","235970","2020-10-21","18:00:00",""
"1553748","7.6834","0.0016","8.0281","0.0017","12.554","0.003","85.471","0.003","73.42","0.003","74.044","0.003","713.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N O4 S2 -","- C15 H13 N O4 S2 -","- C30 H26 N2 O8 S4 -","2","1","","Zhou, Kaida; Xia, Hongguang; Wu, Jie","Generation of benzosultams via a radical process with the insertion of sulfur dioxide","Organic Chemistry Frontiers","2017","4","6","1121","","10.1039/C7QO00127D","","","0.71073","MoKα","","0.0534","0.0396","","","0.1348","0.1787","","","","","","1.22","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553749","8.151","0.01","8.239","0.009","22.94","0.03","90","","100.06","0.02","90","","1517","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O4 S2 -","- C15 H13 N O4 S2 -","- C60 H52 N4 O16 S8 -","4","1","","Zhou, Kaida; Xia, Hongguang; Wu, Jie","Generation of benzosultams via a radical process with the insertion of sulfur dioxide","Organic Chemistry Frontiers","2017","4","6","1121","","10.1039/C7QO00127D","","","0.71073","MoKα","","0.1152","0.0582","","","0.1803","0.2242","","","","","","0.947","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553750","9.0047","0.0003","9.2247","0.0003","9.4826","0.0003","109.875","0.003","108.593","0.003","107.103","0.003","626.45","0.05","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C26 H31 N3 O6 -","- C26 H31 N3 O6 -","- C26 H31 N3 O6 -","1","1","","Guo, Jing; Lin, Zi-Hui; Chen, Kai-Bin; Xie, Ying; Chan, Albert S. C.; Weng, Jiang; Lu, Gui","Asymmetric amination of 2-substituted indolin-3-ones catalyzed by natural cinchona alkaloids","Organic Chemistry Frontiers","2017","4","7","1400","","10.1039/C7QO00129K","","x-ray","1.54184","CuKα","","0.0421","0.0417","","","0.121","0.122","","","","","","1.0608","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553751","8.9558","0.0013","9.4432","0.0013","13.6247","0.0018","92.926","0.003","95.287","0.004","111","0.003","1066.8","0.3","240","2","240","2","","","","","","","","3","P -1","-P 1","2","10,10""-dioxyl-9,9':10',9""-teranthrylene","","","- C54 H48 O8 -","- C54 H48 O8 -","- C54 H48 O8 -","1","0.5","","Hirao, Yasukazu; Konishi, Akihito; Kubo, Takashi","Anthroxyl-based biradical: toward the construction of highly stable multi-spin systems","Organic Chemistry Frontiers","2017","4","5","828","","10.1039/C7QO00130D","","","0.71075","MoKα","","0.1807","0.076","","","0.1962","0.2698","","","","","","0.968","","","","has coordinates,has disorder","235976","2020-10-21","18:00:00",""
"1553752","11.8673","0.0003","14.8352","0.0003","15.9367","0.0005","90","","102.976","0.0009","90","","2734.08","0.12","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,2"",7,7""-tetra-tert-butyl-10,10""-dioxyl-9,9':10',9""-teranthrylene","","","- C66 H72 O6 -","- C66 H68 O6 -","- C132 H136 O12 -","2","0.5","","Hirao, Yasukazu; Konishi, Akihito; Kubo, Takashi","Anthroxyl-based biradical: toward the construction of highly stable multi-spin systems","Organic Chemistry Frontiers","2017","4","5","828","","10.1039/C7QO00130D","","","0.71075","MoKα","","0.0855","0.0637","","","0.1863","0.2067","","","","","","1.103","","","","has coordinates,has disorder","235976","2020-10-21","18:00:00",""
"1553753","23.6823","0.0014","14.1831","0.0008","19.4393","0.001","90","","101.921","0.0017","90","","6388.6","0.6","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C41 H27 O -","- C41 H27 O -","- C328 H216 O8 -","8","1","","Ip, Ho-Wang; Chow, Hak-Fun; Kuck, Dietmar","Electronic and steric effects on the three-fold Scholl-type cycloheptatriene ring formation around a tribenzotriquinacene core","Organic Chemistry Frontiers","2017","4","5","817","","10.1039/C7QO00132K","","","0.71073","MoKα","","0.0864","0.058","","","0.1439","0.1598","","","","","","1.045","","","","has coordinates","235978","2020-10-21","18:00:00",""
"1553754","12.4244","0.0009","8.0614","0.0006","14.7164","0.001","90","","100.607","0.002","90","","1448.78","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 2-(3-methyl-11H-benzo[4,5]imidazo[2,1-a]isoindol-11-yl)acetate","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Selvaraju, Manikandan; Wang, Ying-Lien; Sun, Chung-Ming","Ruthenium(ii)-catalyzed C–H alkenylation/annulation cascade for the rapid synthesis of benzoimidazoisoindoles","Organic Chemistry Frontiers","2017","4","7","1358","","10.1039/C7QO00136C","","","0.71073","MoKα","","0.0463","0.0376","","","0.0917","0.0982","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553755","8.086","0.005","14.196","0.005","23.304","0.005","90","0.005","90","0.005","90","0.005","2675","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7.75 H7.75 F7.75 N7.75 O7.75 S7.75 -","- C30 H19 F3 N O5 S2 -","- C120 H76 F12 N4 O20 S8 -","4","1","","Pouambeka, Tony Wheellyam; Zhang, Ge; Zheng, Guang-Fan; Xu, Guo-Xing; Zhang, Qian; Xiong, Tao; Zhang, Qian","Copper-catalyzed oxidative amidation of α,β-unsaturated ketones via selective C‒H or C‒C bond cleavage","Organic Chemistry Frontiers","2017","4","7","1420","","10.1039/C7QO00146K","","","0.71069","MoKα","","0.0936","0.064","","","0.1363","0.1534","","","","","","1.03","","","","has coordinates","235982","2020-10-21","18:00:00",""
"1553756","5.9608","0.0004","18.7773","0.0009","20.3817","0.0011","90","","90","","90","","2281.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O2 S2 -","- C27 H21 N O2 S2 -","- C108 H84 N4 O8 S8 -","4","1","","Shi, Qing; Li, Pinhua; Zhang, Yan; Wang, Lei","Visible light-induced tandem oxidative cyclization of 2-alkynylanilines with disulfides (diselenides) to 3-sulfenyl- and 3-selenylindoles under transition metal-free and photocatalyst-free conditions","Organic Chemistry Frontiers","2017","4","7","1322","","10.1039/C7QO00152E","","","0.71073","MoKα","","0.041","0.0337","","","0.0813","0.0861","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553757","9.0611","0.0006","7.1551","0.0004","20.5051","0.0018","90","","93.684","0.006","90","","1326.66","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Zhang, Zhiguo; Zhang, Yongchao; Huang, Guoqing; Zhang, Guisheng","Organoiodine reagent-promoted intermolecular oxidative amination: synthesis of cyclopropyl spirooxindoles","Organic Chemistry Frontiers","2017","4","7","1372","","10.1039/C7QO00156H","","x-ray","1.54184","CuKα","","0.054","0.0443","","","0.1155","0.1246","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553758","8.3955","0.0002","14.09","0.0004","16.7651","0.0005","90","","90","","90","","1983.19","0.09","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br F3 N2 O6 -","- C17 H18 Br F3 N2 O6 -","- C68 H72 Br4 F12 N8 O24 -","4","1","","Liu, Qiang; Zhao, Kun; Zhi, Ying; Raabe, Gerhard; Enders, Dieter","Squaramide-catalyzed domino Michael/aza-Henry [3 + 2] cycloaddition: asymmetric synthesis of functionalized 5-trifluoromethyl and 3-nitro substituted pyrrolidines","Organic Chemistry Frontiers","2017","4","7","1416","","10.1039/C7QO00161D","","","1.54178","CuKα","","0.028","0.028","","0.031","","0.031","","","1.002","","","1.006","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553759","9.593","0.004","15.307","0.007","16.705","0.008","90","","93.785","0.008","90","","2447.6","1.9","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Br Cl2 N3 O5 -","- C23 H22 Br Cl2 N3 O5 -","- C92 H88 Br4 Cl8 N12 O20 -","4","1","","Chen, Dong-Zhen; Xiao, Wen-Jing; Chen, Jia-Rong","Synthesis of spiropyrazoline oxindoles by a formal [4 + 1] annulation reaction between 3-bromooxindoles and in situ-derived 1,2-diaza-1,3-dienes","Organic Chemistry Frontiers","2017","4","7","1289","","10.1039/C7QO00163K","","","0.71073","MoKα","","0.0598","0.0405","","","0.1088","0.1204","","","","","","1.023","","","","has coordinates,has disorder","235989","2020-10-21","18:00:00",""
"1553760","6.299","0.008","11.774","0.015","14.904","0.019","99.608","0.016","94.163","0.015","96.363","0.016","1078","2","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Br Cl3 N3 O3 -","- C20 H17 Br Cl3 N3 O3 -","- C40 H34 Br2 Cl6 N6 O6 -","2","1","","Chen, Dong-Zhen; Xiao, Wen-Jing; Chen, Jia-Rong","Synthesis of spiropyrazoline oxindoles by a formal [4 + 1] annulation reaction between 3-bromooxindoles and in situ-derived 1,2-diaza-1,3-dienes","Organic Chemistry Frontiers","2017","4","7","1289","","10.1039/C7QO00163K","","","0.71073","MoKα","","0.2","0.1125","","","0.2823","0.3492","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553761","7.738","0.0005","11.656","0.0008","14.0895","0.0008","90","","90","","90","","1270.79","0.14","298.84","0.1","298.84","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2',3'-dihydrospiro[cyclopentane-1,1'-cyclopenta[a]naphthalen]-2-one","","- C17 H16 O -","- C17 H16 O -","- C68 H64 O4 -","4","1","","Zhang, Bo-Sheng; Hua, Hui-Liang; Gao, Lu-Yao; Liu, Ce; Qiu, Yi-Feng; Zhou, Ping-Xin; Zhou, Zhao-Zhao; Zhao, Jia-Hui; Liang, Yong-Min","Palladium-catalyzed arene C–H activation/ketone C–H functionalization reaction: route to spirodihydroindenones","Organic Chemistry Frontiers","2017","4","7","1376","","10.1039/C7QO00164A","","x-ray","0.71073","MoKα","","0.0845","0.0553","","","0.112","0.1329","","","","","","1.109","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553762","16.382","0.004","18.322","0.004","14.538","0.003","90","","120.472","0.003","90","","3760.9","1.5","","","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-phenyl-2-tosyl-9H-pyrrolo[1,2-a]indole","","- C24 H19 N O2 S -","- C24 H19 N O2 S -","- C192 H152 N8 O16 S8 -","8","1","","Zhang, Pengbo; Gao, Yuzhen; Chen, Su; Tang, Guo; Zhao, Yufen","Direct synthesis of 2-sulfonated 9H-pyrrolo[1,2-a]indoles via NaI-catalyzed cascade radical addition/cyclization/isomerization","Organic Chemistry Frontiers","2017","4","7","1350","","10.1039/C7QO00167C","","","0.71073","MoKα","","0.0751","0.0546","","","0.1568","0.171","","","","","","1.1214","","","","has coordinates","300101","2025-06-17","17:58:10",""
"1553763","7.1026","0.0003","7.8866","0.0003","11.4159","0.0005","92.777","0.002","92.263","0.002","114.968","0.001","577.75","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C28 H24 N4 O6 -","2","1","","Hong, Longcheng; Ahles, Sebastian; Strauss, Marcel A.; Logemann, Christian; Wegner, Hermann A.","Synthesis of 2,3-diaza-anthraquinones via the bidentate Lewis acid catalysed inverse electron-demand Diels–Alder (IEDDA) reaction","Organic Chemistry Frontiers","2017","4","5","871","","10.1039/C7QO00172J","","","0.71073","MoKα","","0.0557","0.045","","","0.1174","0.1233","","","","","","1.084","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553764","8.7048","0.001","10.5461","0.0013","13.9946","0.0017","82.33","0.002","79.359","0.002","79.1","0.002","1233.4","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H22 F I2 N O2 S -","- C25 H22 F I2 N O2 S -","- C50 H44 F2 I4 N2 O4 S2 -","2","1","","Wang, Qiang; Jiang, Bo; Yu, Liu-Zhu; Wei, Yin; Shi, Min","Iron-catalyzed or iodine-induced intramolecular halocyclization of N-vinyl-tethered methylenecyclopropanes: facile access to halogenated 1,2-dihydroquinolines","Organic Chemistry Frontiers","2017","4","7","1294","","10.1039/C7QO00177K","","","0.71073","MoKα","","0.034","0.0293","","","0.0767","0.0796","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553765","13.2671","0.0017","18.296","0.003","19.283","0.003","90","","108.684","0.003","90","","4434","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl N O2 S -","- C25 H24 Cl N O2 S -","- C200 H192 Cl8 N8 O16 S8 -","8","2","","Wang, Qiang; Jiang, Bo; Yu, Liu-Zhu; Wei, Yin; Shi, Min","Iron-catalyzed or iodine-induced intramolecular halocyclization of N-vinyl-tethered methylenecyclopropanes: facile access to halogenated 1,2-dihydroquinolines","Organic Chemistry Frontiers","2017","4","7","1294","","10.1039/C7QO00177K","","","0.71073","MoKα","","0.1036","0.0688","","","0.1689","0.1901","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553766","12.112","0.003","13.064","0.003","13.586","0.003","113.51","0.02","114.37","0.02","96.715","0.018","1690.6","0.9","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N S3 -","- C18 H17 N S3 -","- C72 H68 N4 S12 -","4","2","","Schneeweis, Arno; Neidlinger, Andreas; Reiss, Guido J.; Frank, Walter; Heinze, Katja; Müller, Thomas J. J.","Radical cation and dication of a 4H-dithieno[2,3-b:3′,2′-e][1,4]-thiazine","Organic Chemistry Frontiers","2017","4","5","839","","10.1039/C7QO00188F","","","0.71073","MoKα","","0.0962","0.0668","","","0.1361","0.1532","","","","","","1.198","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553767","9.3089","0.0019","10.692","0.002","10.826","0.002","98.78","0.004","90.325","0.004","108.111","0.004","1010.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 F3 N O -","- C26 H20 F3 N O -","- C52 H40 F6 N2 O2 -","2","1","","An, Yuanyuan; Zhang, Jun; Xia, Hongguang; Wu, Jie","Radical cyclization of benzene-tethered 1,7-enynes with aryldiazonium tetrafluoroborates: a facile route to benzo[j]phenanthridines","Organic Chemistry Frontiers","2017","4","7","1318","","10.1039/C7QO00193B","","","0.71073","MoKα","","0.1156","0.0615","","","0.1912","0.2556","","","","","","0.988","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553768","8.7598","0.0009","25.852","0.003","8.8958","0.0009","90","","96.431","0.002","90","","2001.9","0.4","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 F2 N2 O2 -","- C22 H26 F2 N2 O2 -","- C88 H104 F8 N8 O8 -","4","1","","Liu, Kai; Sui, Lin-Chao; Jin, Qiao; Li, Deng-Yuan; Liu, Pei-Nian","CuBr-mediated radical cascade difluoroacetamidation of acrylamides using α,α-difluoro-α-(TMS)-acetamides","Organic Chemistry Frontiers","2017","4","8","1606","","10.1039/C7QO00209B","","","0.71073","MoKα","","0.0599","0.0381","","","0.0827","0.0932","","","","","","1.01","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553769","21.229","0.01","3.919","0.0019","15.628","0.008","90","","105.861","0.011","90","","1250.7","1.1","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Ding, Junshuai; Zhang, Yingchao; Li, Jizhen","Nickel-catalyzed selective C-5 fluorination of 8-aminoquinolines with NFSI","Organic Chemistry Frontiers","2017","4","8","1528","","10.1039/C7QO00211D","","","0.71073","MoKα","","0.1172","0.0737","","","0.2007","0.2307","","","","","","0.994","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553770","11.93574","0.00015","7.18231","0.00008","19.3705","0.0002","90","","94.7142","0.0011","90","","1654.94","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Cl3 N O0 -","- C20 H12 Cl3 N -","- C80 H48 Cl12 N4 -","4","1","","Li, Jianxiao; An, Yanni; Li, Jiawei; Yang, Shaorong; Wu, Wanqing; Jiang, Huanfeng","Palladium-catalyzed C‒S bond activation and functionalization of 3-sulfenylindoles and related electron-rich heteroarenes","Organic Chemistry Frontiers","2017","4","8","1590","","10.1039/C7QO00215G","","x-ray","1.54184","CuKα","","0.0414","0.0398","","","0.1081","0.1101","","","","","","1.057","","","","has coordinates","236006","2020-10-21","18:00:00",""
"1553771","9.8942","0.0018","11.644","0.002","20.487","0.004","87.078","0.008","78.302","0.009","68.651","0.006","2152","0.7","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H52 Cl4 N16 O2 -","- C34 H52 Cl4 N16 O2 -","- C68 H104 Cl8 N32 O4 -","2","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and conformational structure of hydrazo-bridged homo calix[2]pyridine[2]triazines","Organic Chemistry Frontiers","2017","4","7","1425","","10.1039/C7QO00221A","","","0.71073","MoKα","","0.1208","0.1118","","","0.3058","0.3152","","","","","","1.12","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553772","11.9766","0.0004","19.3355","0.0005","12.7804","0.0004","90","","114.734","0.004","90","","2688.09","0.17","173","0.1","173","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5.33 H10 Cl0.67 Co0.33 N2.67 O4 -","- C5.33333 H10 Cl0.666667 Co0.333333 N2.66667 O4 -","- C64 H120 Cl8 Co4 N32 O48 -","12","3","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and conformational structure of hydrazo-bridged homo calix[2]pyridine[2]triazines","Organic Chemistry Frontiers","2017","4","7","1425","","10.1039/C7QO00221A","","x-ray","1.54184","CuKα","","0.0713","0.0627","","","0.1679","0.1785","","","","","","1.048","","","","has coordinates","236009","2020-10-21","18:00:00",""
"1553773","13.18","0.003","19.895","0.004","20.59","0.004","108.27","0.03","107.63","0.03","90.48","0.03","4854","2","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H41 N16 O3.5 S1.5 -","- C27 H41 N16 O3.5 S1.5 -","- C108 H164 N64 O14 S6 -","4","2","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and conformational structure of hydrazo-bridged homo calix[2]pyridine[2]triazines","Organic Chemistry Frontiers","2017","4","7","1425","","10.1039/C7QO00221A","","","0.71073","MoKα","","0.1775","0.152","","","0.4104","0.4325","","","","","","1.136","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1553774","9.003","0.01","10.762","0.012","11.631","0.012","73.19","0.06","69.99","0.05","72.45","0.04","987.6","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 B F2 N2 O2 -","- C20 H23 B F2 N2 O2 -","- C40 H46 B2 F4 N4 O4 -","2","1","","Kubota, Yasuhiro; Tsukamoto, Masahiro; Ohnishi, Katsuhiro; Jin, Jiye; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of novel squarylium–boron complexes","Organic Chemistry Frontiers","2017","4","8","1522","","10.1039/C7QO00225D","","","0.71075","MoKα","","0.0802","0.0596","","","0.1648","0.1833","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553775","8.6045","0.0006","11.4959","0.0007","10.3691","0.0006","90","","114.544","0.002","90","","933","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H17 Cl F3 N3 -","- C21 H17 Cl F3 N3 -","- C42 H34 Cl2 F6 N6 -","2","1","","Xie, En; Rahman, Abdul; Lin, Xufeng","Asymmetric synthesis of CF3- and indole-containing tetrahydro-β-carbolines via chiral spirocyclic phosphoric acid-catalyzed aza-Friedel–Crafts reaction","Organic Chemistry Frontiers","2017","4","7","1407","","10.1039/C7QO00229G","","","0.71073","MoKα","","0.0749","0.0341","","","0.0633","0.0903","","","","","","1.003","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553776","10.326","0.002","9.584","0.0019","19.601","0.004","90","","104.43","0.03","90","","1878.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 I N2 -","- C22 H17 I N2 -","- C88 H68 I4 N8 -","4","1","","Liu, Cheng-Kou; Yang, Zhao; Zeng, Yu; Guo, Kai; Fang, Zheng; Li, Bo","Sodium nitrite-promoted aerobic oxidative coupling of aryl methyl ketones with ammonium under metal-free conditions: a facile access to polysubstitution imidazoles","Organic Chemistry Frontiers","2017","4","8","1508","","10.1039/C7QO00247E","","","0.71073","MoKα","","0.1106","0.0541","","","0.1168","0.137","","","","","","1","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553777","5.7817","0.0012","8.2558","0.001","19.972","0.002","90","","90","","90","","953.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O2 S -","- C10 H12 O2 S -","- C40 H48 O8 S4 -","4","1","","Meng, Ke; Xia, Jingzhao; Wang, Yanzhao; Zhang, Xinghua; Yang, Guoqiang; Zhang, Wanbin","Ir/BiphPHOX-catalyzed asymmetric hydrogenation of 3-substituted 2,5-dihydropyrroles and 2,5-dihydrothiophene 1,1-dioxides","Organic Chemistry Frontiers","2017","4","8","1601","","10.1039/C7QO00248C","","","1.54178","CuKα","","0.0341","0.034","","","0.0898","0.09","","","","","","1.079","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553778","11.3637","0.0004","6.0455","0.0003","11.3636","0.0004","90","","98.45","","90","","772.2","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C34 H38 N2 O4 S2 -","2","1","","Meng, Ke; Xia, Jingzhao; Wang, Yanzhao; Zhang, Xinghua; Yang, Guoqiang; Zhang, Wanbin","Ir/BiphPHOX-catalyzed asymmetric hydrogenation of 3-substituted 2,5-dihydropyrroles and 2,5-dihydrothiophene 1,1-dioxides","Organic Chemistry Frontiers","2017","4","8","1601","","10.1039/C7QO00248C","","","1.54178","CuKα","","0.0426","0.0352","","","0.0792","0.083","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553779","11.0348","0.0007","21.2718","0.0012","7.2221","0.0006","90","","90","","90","","1695.2","0.2","184.3","0.3","184.3","0.3","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","1","","Tang, Hai-Tao; Zeng, Jia-Hao; Chen, Jun-Jia; Zhou, Yun-Bing; Li, Ren-Hao; Zhan, Zhuang-Ping","Synthesis of pyrazolo[5,1-a]isoquinolines through copper-catalyzed regioselective bicyclization of N-propargylic sulfonylhydrazones","Organic Chemistry Frontiers","2017","4","8","1513","","10.1039/C7QO00249A","","","0.71073","MoKα","","0.0713","0.061","","","0.1247","0.1292","","","","","","1.161","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553780","17.5265","0.0008","18.9585","0.0009","11.1154","0.0005","90","","120.995","0.002","90","","3166","0.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H11 Cl F3 N O -","- C19 H11 Cl F3 N O -","- C152 H88 Cl8 F24 N8 O8 -","8","1","","Mishra, Kalpana; Singh, Jay Bahadur; Gupta, Tanu; Singh, Radhey M.","TBAB-catalyzed cascade reactions: facile synthesis of 1-trifluoromethyl-3-alkylidene-1,3-dihydrofuro[3,4-b]quinolines via 5-exo-dig cyclization of o-arylalkynylquinoline aldehydes","Organic Chemistry Frontiers","2017","4","10","1926","","10.1039/C7QO00273D","","","0.71073","MoKα","","0.0617","0.0439","","","0.1131","0.1244","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553781","5.0951","0.0004","6.0539","0.0006","14.8931","0.0015","90","","90","","90","","459.38","0.07","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N-Methylcarbamoyl","","","- C2 H4 N4 O -","- C2 H4 N4 O -","- C8 H16 N16 O4 -","4","0.5","","Wan, Huabin; Li, Hongmin; Xu, Jian; Wu, Zhuang; Liu, Qifan; Chu, Xianxu; Abe, Manabu; Bégué, Didier; Zeng, Xiaoqing","N-Methylcarbamoyl azide: spectroscopy, X-ray structure and decomposition via methylcarbamoyl nitrene","Organic Chemistry Frontiers","2017","4","9","1839","","10.1039/C7QO00277G","","","0.71073","MoKα","","0.0512","0.0451","","","0.1313","0.1346","","","","","","2.174","","","","has coordinates","236023","2020-10-21","18:00:00",""
"1553782","12.326","0.004","11.032","0.004","13.445","0.005","90","","90","","90","","1828.3","1.1","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H18 F2 O4 -","- C21 H18 F2 O4 -","- C84 H72 F8 O16 -","4","1","","Li, Yuewen; Lu, Yiye; Mao, Runyu; Li, Zhiming; Wu, Jie","A photoinduced reaction of perfluoroalkyl halides with 1,3-diarylprop-2-yn-1-ones catalyzed by DABSO","Organic Chemistry Frontiers","2017","4","9","1745","","10.1039/C7QO00279C","","","0.71073","MoKα","","0.0343","0.0325","","","0.0913","0.0937","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553783","10.7971","0.0008","15.2395","0.0013","26.1285","0.0019","90","","90","","90","","4299.2","0.6","180","0.1","180","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ph-4Br-Pyr","","- C22 H18 Br4 N2 -","- C22 H18 Br4 N2 -","- C176 H144 Br32 N16 -","8","1","","Huang, Zhe; Zhan, Ming; Zhang, Shaoguang; Luo, Qian; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of dibromo- and tetrabromo-bipyrrolines and their corresponding 2,6-diazasemibullvalene derivatives","Organic Chemistry Frontiers","2017","4","9","1785","","10.1039/C7QO00287D","","","0.7107","MoKα","","0.0826","0.0529","","","0.0992","0.1106","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553784","6.6642","0.0004","19.8278","0.0016","14.8224","0.001","90","","101.924","0.007","90","","1916.3","0.2","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tBu-2Br-NSBV-re","","- C18 H26 Br2 N2 -","- C18 H26 Br2 N2 -","- C72 H104 Br8 N8 -","4","1","","Huang, Zhe; Zhan, Ming; Zhang, Shaoguang; Luo, Qian; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of dibromo- and tetrabromo-bipyrrolines and their corresponding 2,6-diazasemibullvalene derivatives","Organic Chemistry Frontiers","2017","4","9","1785","","10.1039/C7QO00287D","","","0.71073","MoKα","","0.0978","0.0537","","","0.1172","0.132","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553785","23.66","0.002","10.2673","0.001","10.5398","0.001","90","","90","","90","","2560.4","0.4","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26 H25 F3 N O S -","- C26 H25 F3 N O S -","- C104 H100 F12 N4 O4 S4 -","4","1","","Liu, Bing; Zhang, Zhan-Ming; Xu, Bing; Xu, Shan; Wu, Hai-Hong; Liu, Yuanyuan; Zhang, Junliang","Cu(i)-catalyzed Michael addition of ketiminoesters to β-trifluoromethyl β,β-disubstituted enones: rapid access to 1-pyrrolines bearing a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2017","4","9","1772","","10.1039/C7QO00291B","","","0.71073","MoKα","","0.0783","0.0617","","","0.1818","0.195","","","","","","1.098","","","","has coordinates","236029","2020-10-21","18:00:00",""
"1553786","8.5817","0.0002","10.4128","0.0003","27.6259","0.0007","90","","90","","90","","2468.64","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl F3 N O3 -","- C27 H23 Cl F3 N O3 -","- C108 H92 Cl4 F12 N4 O12 -","4","1","","Liu, Bing; Zhang, Zhan-Ming; Xu, Bing; Xu, Shan; Wu, Hai-Hong; Liu, Yuanyuan; Zhang, Junliang","Cu(i)-catalyzed Michael addition of ketiminoesters to β-trifluoromethyl β,β-disubstituted enones: rapid access to 1-pyrrolines bearing a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2017","4","9","1772","","10.1039/C7QO00291B","","","0.71073","MoKα","","0.0445","0.034","","","0.077","0.0828","","","","","","1.054","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553787","6.2282","0.0002","7.0351","0.0002","36.2461","0.0013","90","","90","","90","","1588.16","0.09","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 F3 N O2 S -","- C15 H16 F3 N O2 S -","- C60 H64 F12 N4 O8 S4 -","4","1","","Liu, Bing; Zhang, Zhan-Ming; Xu, Bing; Xu, Shan; Wu, Hai-Hong; Liu, Yuanyuan; Zhang, Junliang","Cu(i)-catalyzed Michael addition of ketiminoesters to β-trifluoromethyl β,β-disubstituted enones: rapid access to 1-pyrrolines bearing a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2017","4","9","1772","","10.1039/C7QO00291B","","","0.71073","MoKα","","0.0481","0.0415","","","0.1071","0.1119","","","","","","1.06","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553788","12.9056","0.0003","8.981","0.0002","20.4045","0.0005","90","","106.848","0.003","90","","2263.48","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N2 O2 P -","- C28 H21 N2 O2 P -","- C112 H84 N8 O8 P4 -","4","1","","Qiao, Huijie; Sun, Suyan; Zhang, Yue; Zhu, Hongmei; Yu, Xiaomeng; Yang, Fan; Wu, Yusheng; Li, Zhongxian; Wu, Yangjie","Merging photoredox catalysis with transition metal catalysis: site-selective C4 or C5-H phosphonation of 8-aminoquinoline amides","Organic Chemistry Frontiers","2017","4","10","1981","","10.1039/C7QO00305F","","x-ray","1.54184","CuKα","","0.0506","0.0412","","","0.1062","0.1138","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553789","14.3374","0.0005","9.71","0.0004","18.7718","0.0007","90","","105.341","0.004","90","","2520.22","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N2 O2 P -","- C28 H21 N2 O2 P -","- C112 H84 N8 O8 P4 -","4","1","","Qiao, Huijie; Sun, Suyan; Zhang, Yue; Zhu, Hongmei; Yu, Xiaomeng; Yang, Fan; Wu, Yusheng; Li, Zhongxian; Wu, Yangjie","Merging photoredox catalysis with transition metal catalysis: site-selective C4 or C5-H phosphonation of 8-aminoquinoline amides","Organic Chemistry Frontiers","2017","4","10","1981","","10.1039/C7QO00305F","","x-ray","1.54184","CuKα","","0.0561","0.0467","","","0.1343","0.1436","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553790","9.5853","0.0009","9.8739","0.0008","14.7007","0.0014","103.11","0.008","94.035","0.008","114.371","0.008","1213.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N2 O3 P -","- C29 H23 N2 O3 P -","- C58 H46 N4 O6 P2 -","2","1","","Qiao, Huijie; Sun, Suyan; Zhang, Yue; Zhu, Hongmei; Yu, Xiaomeng; Yang, Fan; Wu, Yusheng; Li, Zhongxian; Wu, Yangjie","Merging photoredox catalysis with transition metal catalysis: site-selective C4 or C5-H phosphonation of 8-aminoquinoline amides","Organic Chemistry Frontiers","2017","4","10","1981","","10.1039/C7QO00305F","","x-ray","1.54184","CuKα","","0.0583","0.0467","","","0.1246","0.136","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553791","11.9961","0.0005","8.631","0.0003","21.6563","0.0007","90","","95.014","0.004","90","","2233.68","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N2 O2 P -","- C28 H21 N2 O2 P -","- C112 H84 N8 O8 P4 -","4","1","","Qiao, Huijie; Sun, Suyan; Zhang, Yue; Zhu, Hongmei; Yu, Xiaomeng; Yang, Fan; Wu, Yusheng; Li, Zhongxian; Wu, Yangjie","Merging photoredox catalysis with transition metal catalysis: site-selective C4 or C5-H phosphonation of 8-aminoquinoline amides","Organic Chemistry Frontiers","2017","4","10","1981","","10.1039/C7QO00305F","","x-ray","1.54184","CuKα","","0.0494","0.0406","","","0.1051","0.1133","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553792","9.0757","0.0002","10.4623","0.0002","26.2445","0.0005","90","","90","","90","","2491.99","0.09","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H27 O2 P -","- C33 H27 O2 P -","- C132 H108 O8 P4 -","4","1","","Li, Bin; Zhang, Mingkai; Huang, Xulun; Gu, Zhenhua","Synthesis of 2,3-dihydro-1H-phosphindole-1-oxides via the t-BuLi-mediated rearrangement of vinyl bromides and phosphine oxides","Organic Chemistry Frontiers","2017","4","9","1854","","10.1039/C7QO00310B","","","1.54184","CuKα","","0.0326","0.0313","","","0.0828","0.0843","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553793","12.3885","0.0001","18.8197","0.0002","10.4583","0.0001","90","","103.828","0.001","90","","2367.66","0.04","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 O P -","- C32 H25 O P -","- C128 H100 O4 P4 -","4","1","","Li, Bin; Zhang, Mingkai; Huang, Xulun; Gu, Zhenhua","Synthesis of 2,3-dihydro-1H-phosphindole-1-oxides via the t-BuLi-mediated rearrangement of vinyl bromides and phosphine oxides","Organic Chemistry Frontiers","2017","4","9","1854","","10.1039/C7QO00310B","","","1.54184","CuKα","","0.0402","0.0375","","","0.1027","0.1053","","","","","","1.056","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553794","10.0442","0.0004","10.4197","0.0004","11.9542","0.0005","84.471","0.002","84.954","0.002","75.059","0.002","1200.58","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 B O4 -","- C28 H33 B O4 -","- C56 H66 B2 O8 -","2","1","","Hsieh, Jen-Chieh; Hong, Ya-Chun; Yang, Chun-Ming; Mannathan, Subramaniyan; Cheng, Chien-Hong","Nickel-catalyzed highly chemo- and stereoselective borylative cyclization of 1,6-enynes with bis(pinacolato)diboron","Organic Chemistry Frontiers","2017","4","8","1615","","10.1039/C7QO00321H","","","0.71073","MoKα","","0.0726","0.052","","","0.1247","0.1392","","","","","","1.046","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553795","22.0623","0.0004","14.5144","0.0003","5.67392","0.0001","90","","90","","90","","1816.91","0.06","294.08","0.1","294.08","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H19 Br O6 -","- C19 H19 Br O6 -","- C76 H76 Br4 O24 -","4","1","","Hao, Xiaoyu; Lin, Lili; Tan, Fei; Ge, Shulin; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of chromans via the Friedel–Crafts alkylation–hemiketalization catalysed by an N,N′-dioxide scandium(iii) complex","Organic Chemistry Frontiers","2017","4","8","1647","","10.1039/C7QO00323D","","x-ray","1.54184","CuKα","","0.0429","0.042","","","0.1027","0.1042","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553796","10.4368","0.0004","6.0294","0.0002","15.7294","0.0005","90","","107.537","0.004","90","","943.81","0.06","200","1","200","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H18 Br N O3 -","- C21 H18 Br N O3 -","- C42 H36 Br2 N2 O6 -","2","1","","De Munck, Lode; Sukowski, Verena; Vila, Carlos; Muñoz, M. Carmen; Pedro, José R.","Catalytic enantioselective aza-Reformatsky reaction with seven-membered cyclic imines dibenzo[b,f][1,4]oxazepines","Organic Chemistry Frontiers","2017","4","8","1624","","10.1039/C7QO00329C","","","0.71073","MoKα","","0.0494","0.0362","","","0.0782","0.0855","","","","","","0.969","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553797","9.17425","0.00019","7.88736","0.00013","21.7312","0.0004","90","","99.3556","0.0019","90","","1551.57","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 F N2 O -","- C20 H13 F N2 O -","- C80 H52 F4 N8 O4 -","4","1","","Ren, Xuhong; Wang, Qiyang; Yu, Wenjia; Zhan, Xiaoyu; Yao, Yishan; Qin, Bingjie; Dong, Mingxin; He, Xinhua","Photoredox catalytic intramolecular imine C–H bond functionalization using ligand free Cu(ii) salts","Organic Chemistry Frontiers","2017","4","10","2022","","10.1039/C7QO00348J","","x-ray","1.54184","CuKα","","0.0399","0.0374","","","0.0987","0.1009","","","","","","1.051","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553798","7.6272","0.0007","13.3952","0.0013","11.846","0.0012","90","","90.87","0.003","90","","1210.1","0.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4,9-trinitro-2,4,9-triazaadamantane-7-yl nitrate","","- C7 H9 N7 O9 -","- C7 H9 N7 O9 -","- C28 H36 N28 O36 -","4","1","","Hou, Tianjiao; Zhang, Jian; Wang, Chenjiao; Luo, Jun","A facile method to construct a 2,4,9-triazaadamantane skeleton and synthesize nitramine derivatives","Organic Chemistry Frontiers","2017","4","9","1819","","10.1039/C7QO00357A","","","0.71073","MoKα","","0.0262","0.0256","","","0.0682","0.0686","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553799","15.7593","0.0003","6.7689","0.0002","21.0839","0.0004","90","","104.622","0.001","90","","2176.24","0.09","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 O3 Si -","- C21 H40 O3 Si -","- C84 H160 O12 Si4 -","4","1","","Tugny, Coralie; Khaled, Omar; Derat, Etienne; Goddard, Jean-Philippe; Mouriès-Mansuy, Virginie; Fensterbank, Louis","Gold(i)-catalyzed access to neomerane skeletons","Organic Chemistry Frontiers","2017","4","10","1906","","10.1039/C7QO00360A","","","1.54178","CuKα","","0.0464","0.0372","","","0.0941","0.0995","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553800","8.7959","0.0005","10.4916","0.0006","13.2932","0.0008","70.468","0.002","74.252","0.002","71.371","0.002","1076.8","0.11","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N4 O6 -","- C22 H26 N4 O6 -","- C44 H52 N8 O12 -","2","1","","Tugny, Coralie; Khaled, Omar; Derat, Etienne; Goddard, Jean-Philippe; Mouriès-Mansuy, Virginie; Fensterbank, Louis","Gold(i)-catalyzed access to neomerane skeletons","Organic Chemistry Frontiers","2017","4","10","1906","","10.1039/C7QO00360A","","","0.71073","MoKα","","0.0542","0.0453","","","0.1248","0.1323","","","","","","1.036","","","","has coordinates,has disorder","236048","2020-10-21","18:00:00",""
"1553801","15.8792","0.0005","7.383","0.0003","18.5839","0.0007","90","","94.011","0.002","90","","2173.37","0.14","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N4 O6 -","- C22 H26 N4 O6 -","- C88 H104 N16 O24 -","4","1","","Tugny, Coralie; Khaled, Omar; Derat, Etienne; Goddard, Jean-Philippe; Mouriès-Mansuy, Virginie; Fensterbank, Louis","Gold(i)-catalyzed access to neomerane skeletons","Organic Chemistry Frontiers","2017","4","10","1906","","10.1039/C7QO00360A","","","1.54178","CuKα","","0.063","0.05","","","0.1208","0.1289","","","","","","1.034","","","","has coordinates","236048","2020-10-21","18:00:00",""
"1553802","19.2372","0.0012","19.7853","0.0013","12.577","0.0007","90","","107.983","0.003","90","","4553.1","0.5","200","1","200","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N4 O6 -","- C22 H26 N4 O6 -","- C176 H208 N32 O48 -","8","2","","Tugny, Coralie; Khaled, Omar; Derat, Etienne; Goddard, Jean-Philippe; Mouriès-Mansuy, Virginie; Fensterbank, Louis","Gold(i)-catalyzed access to neomerane skeletons","Organic Chemistry Frontiers","2017","4","10","1906","","10.1039/C7QO00360A","","","1.54178","CuKα","","0.0851","0.0689","","","0.2013","0.2182","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553803","15.0743","0.0003","6.8149","0.0001","21.2545","0.0004","90","","92.709","0.001","90","","2181.03","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 O3 Si -","- C21 H38 O3 Si -","- C84 H152 O12 Si4 -","4","1","","Tugny, Coralie; Khaled, Omar; Derat, Etienne; Goddard, Jean-Philippe; Mouriès-Mansuy, Virginie; Fensterbank, Louis","Gold(i)-catalyzed access to neomerane skeletons","Organic Chemistry Frontiers","2017","4","10","1906","","10.1039/C7QO00360A","","","0.71073","MoKα","","0.053","0.0386","","","0.1032","0.1112","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553804","12.0087","0.0006","17.7464","0.0007","12.6045","0.0007","90","","103.892","0.005","90","","2607.6","0.2","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 I O4 S -","- C28 H29 I O4 S -","- C112 H116 I4 O16 S4 -","4","1","","Miao, Maozhong; Xu, Huaping; Luo, Yi; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","A modular approach to highly functionalized 3-sulfonylfurans via conjugate addition of 3-cyclopropylideneprop-2-en-1-ones with sodium sulfinates and sequential 5-endo-trig iodocyclization","Organic Chemistry Frontiers","2017","4","9","1824","","10.1039/C7QO00362E","","","0.71073","MoKα","","0.0879","0.0665","","","0.1759","0.1906","","","","","","1.049","","","","has coordinates,has disorder","236050","2020-10-21","18:00:00",""
"1553805","9.8395","0.0017","10.7013","0.0019","10.8636","0.0019","114.335","0.002","94.477","0.002","116.312","0.002","885.4","0.3","296.15","","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O3 -","- C22 H20 O3 -","- C44 H40 O6 -","2","1","","Shi, Xiaonan; He, Yan; Zhang, Xinying; Fan, Xuesen","Selective syntheses of diversely substituted 2-hydroxy-4′-hydroxybenzophenones through [4 + 2] or [3 + 3] annulation of penta-3,4-dien-2-ones with 3-formylchromones","Organic Chemistry Frontiers","2017","4","10","1967","","10.1039/C7QO00366H","","x-ray","0.71073","MoKα","","0.0628","0.0473","","","0.1274","0.1434","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553806","8.8173","0.0004","14.3926","0.0007","15.3659","0.0007","90","","90","","90","","1949.99","0.16","105.8","","105.8","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O5 S -","- C22 H19 N O5 S -","- C88 H76 N4 O20 S4 -","4","1","","Xie, Lei; Ma, Hongli; Li, Jiaqi; Yu, Yuan; Qin, Zhaohai; Fu, Bin","Ni(ii)-Catalyzed enantioselective Mukaiyama–Mannich reaction between silyl enol ethers and cyclic N-sulfonyl α-ketiminoesters","Organic Chemistry Frontiers","2017","4","9","1858","","10.1039/C7QO00370F","","","1.5418","CuKα","","0.0275","0.0271","","","0.0686","0.0689","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553807","8.2203","0.0005","9.1263","0.0005","13.0906","0.0007","90","","102.302","0.006","90","","959.52","0.1","106.3","","106.3","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C42 H46 N2 O10 S2 -","2","1","","Xie, Lei; Ma, Hongli; Li, Jiaqi; Yu, Yuan; Qin, Zhaohai; Fu, Bin","Ni(ii)-Catalyzed enantioselective Mukaiyama–Mannich reaction between silyl enol ethers and cyclic N-sulfonyl α-ketiminoesters","Organic Chemistry Frontiers","2017","4","9","1858","","10.1039/C7QO00370F","","","1.5418","CuKα","","0.0372","0.0366","","","0.0978","0.0986","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553808","29.3492","0.0015","12.5025","0.0006","25.3876","0.0013","90","","113.65","0.003","90","","8533.3","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H102 Cl8 N26 O21 Zn2 -","- C62 H82 Cl8 N26 O12 Zn2 -","- C248 H328 Cl32 N104 O48 Zn8 -","4","0.5","","Qu, Yun-Xia; Lin, Rui-Lian; Zhang, Yun-Qian; Zhou, Kai-Zhi; Zhou, Qing-Di; Zhu, Qian-Jiang; Tao, Zhu; Ma, Pei-Hua; Liu, Jing-Xin; Wei, Gang","Endo/exo binding of alkyl and aryl diammonium ions by cyclopentanocucurbit[6]uril","Organic Chemistry Frontiers","2017","4","9","1799","","10.1039/C7QO00376E","","","0.71073","MoKα","","0.0891","0.077","","","0.2427","0.253","","","","","","1.085","","","","has coordinates","236056","2020-10-21","18:00:00",""
"1553809","27.52","0.003","17.25","0.003","18.358","0.003","90","","94.006","0.007","90","","8694","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H68 Cl8 N26 O28 Zn2 -","- C60 H70 Cl8 N26 O12 Zn2 -","- C240 H280 Cl32 N104 O48 Zn8 -","4","0.5","","Qu, Yun-Xia; Lin, Rui-Lian; Zhang, Yun-Qian; Zhou, Kai-Zhi; Zhou, Qing-Di; Zhu, Qian-Jiang; Tao, Zhu; Ma, Pei-Hua; Liu, Jing-Xin; Wei, Gang","Endo/exo binding of alkyl and aryl diammonium ions by cyclopentanocucurbit[6]uril","Organic Chemistry Frontiers","2017","4","9","1799","","10.1039/C7QO00376E","","","0.71073","MoKα","","0.1071","0.0703","","","0.2108","0.2315","","","","","","1.079","","","","has coordinates","236056","2020-10-21","18:00:00",""
"1553810","12.2894","0.0018","12.4667","0.0017","14.986","0.002","73.289","0.004","84.747","0.004","62.451","0.004","1947.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H94 Cl6 N26 O22 Zn2 -","- C58 H74 Cl6 N26 O14 Zn2 -","- C58 H74 Cl6 N26 O14 Zn2 -","1","0.5","","Qu, Yun-Xia; Lin, Rui-Lian; Zhang, Yun-Qian; Zhou, Kai-Zhi; Zhou, Qing-Di; Zhu, Qian-Jiang; Tao, Zhu; Ma, Pei-Hua; Liu, Jing-Xin; Wei, Gang","Endo/exo binding of alkyl and aryl diammonium ions by cyclopentanocucurbit[6]uril","Organic Chemistry Frontiers","2017","4","9","1799","","10.1039/C7QO00376E","","","0.71073","MoKα","","0.076","0.053","","","0.1377","0.1484","","","","","","1.055","","","","has coordinates","236056","2020-10-21","18:00:00",""
"1553811","12.298","0.003","12.903","0.003","15.662","0.003","75.259","0.003","70.211","0.003","76.684","0.003","2233","0.9","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H112 Cl10 N26 O28 Zn2 -","- C60 H78 Cl10 N26 O12 Zn2 -","- C60 H78 Cl10 N26 O12 Zn2 -","1","0.5","","Qu, Yun-Xia; Lin, Rui-Lian; Zhang, Yun-Qian; Zhou, Kai-Zhi; Zhou, Qing-Di; Zhu, Qian-Jiang; Tao, Zhu; Ma, Pei-Hua; Liu, Jing-Xin; Wei, Gang","Endo/exo binding of alkyl and aryl diammonium ions by cyclopentanocucurbit[6]uril","Organic Chemistry Frontiers","2017","4","9","1799","","10.1039/C7QO00376E","","","0.71073","MoKα","","0.0667","0.0576","","","0.1827","0.1918","","","","","","1.007","","","","has coordinates","236056","2020-10-21","18:00:00",""
"1553812","12.315","0.004","12.875","0.004","15.525","0.006","75.131","0.011","70.361","0.011","77.82","0.01","2219.6","1.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H108 Cl10 N26 O28 Zn2 -","- C62 H74 Cl10 N26 O22 Zn2 -","- C62 H74 Cl10 N26 O22 Zn2 -","1","0.5","","Qu, Yun-Xia; Lin, Rui-Lian; Zhang, Yun-Qian; Zhou, Kai-Zhi; Zhou, Qing-Di; Zhu, Qian-Jiang; Tao, Zhu; Ma, Pei-Hua; Liu, Jing-Xin; Wei, Gang","Endo/exo binding of alkyl and aryl diammonium ions by cyclopentanocucurbit[6]uril","Organic Chemistry Frontiers","2017","4","9","1799","","10.1039/C7QO00376E","","","0.71073","MoKα","","0.1104","0.0836","","","0.2457","0.2745","","","","","","1.003","","","","has coordinates","236056","2020-10-21","18:00:00",""
"1553813","5.095","0.008","12.261","0.019","17","0.03","73.395","0.018","81.56","0.02","78.69","0.02","993","3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 Br N2 O2 -","- C21 H19.5 Br N2 O2 -","- C42 H39 Br2 N4 O4 -","2","1","","Yan, Hao; Li, Xincheng; Wang, Chunxiang; Wan, Boshun","Silver-catalyzed cyclization of nitrones with 2-azetine: a radical approach to 2,3-disubstituted quinolines","Organic Chemistry Frontiers","2017","4","9","1833","","10.1039/C7QO00405B","","","0.71073","MoKα","","0.2545","0.0911","","","0.2098","0.2887","","","","","","0.963","","","","has coordinates,has disorder","236058","2020-10-21","18:00:00",""
"1553814","6.1408","0.0017","10.54","0.003","16.567","0.005","87.399","0.007","81.181","0.006","79.922","0.006","1043.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C44 H52 N4 O8 -","2","1","","Yan, Hao; Li, Xincheng; Wang, Chunxiang; Wan, Boshun","Silver-catalyzed cyclization of nitrones with 2-azetine: a radical approach to 2,3-disubstituted quinolines","Organic Chemistry Frontiers","2017","4","9","1833","","10.1039/C7QO00405B","","","0.71073","MoKα","","0.1062","0.0721","","","0.1651","0.1818","","","","","","1.081","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553815","6.82668","0.00015","9.4989","0.0002","34.5079","0.001","90","","90","","90","","2237.7","0.09","293.49","0.15","293.49","0.15","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl O7 -","- C23 H23 Cl O7 -","- C92 H92 Cl4 O28 -","4","1","","Yao, Qian; Lin, Lili; Zhang, Hang; Yu, Han; Xiong, Qian; Liu, Xiaohua; Feng, Xiaoming","The asymmetric synthesis of multisubstituted diquinanes via the domino reaction of electron-deficient enynes","Organic Chemistry Frontiers","2017","4","10","2012","","10.1039/C7QO00408G","","x-ray","1.54184","CuKα","","0.0575","0.0535","","","0.1492","0.1553","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553816","7.8333","0.0001","8.7742","0.0002","23.1441","0.0004","90","","95.475","0.001","90","","1583.46","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O3 S -","- C19 H17 N O3 S -","- C76 H68 N4 O12 S4 -","4","1","","De Nisi, A.; Sierra, S.; Ferrara, M.; Monari, M.; Bandini, M.","TBAF catalyzed one-pot synthesis of allenyl-indoles","Organic Chemistry Frontiers","2017","4","9","1849","","10.1039/C7QO00414A","","","0.71073","MoKα","","0.0466","0.0328","","","0.0849","0.0909","","","","","","1.235","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553817","8.5679","0.0012","12.3701","0.0014","18.181","0.003","83.843","0.007","89.595","0.012","80.871","0.009","1891.4","0.5","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H16 F3 N O3 S -","- C20 H15 F3 N O3 S -","- C80 H60 F12 N4 O12 S4 -","4","4","","De Nisi, A.; Sierra, S.; Ferrara, M.; Monari, M.; Bandini, M.","TBAF catalyzed one-pot synthesis of allenyl-indoles","Organic Chemistry Frontiers","2017","4","9","1849","","10.1039/C7QO00414A","","","0.71073","MoKα","","0.2446","0.0738","","","0.1707","0.2621","","","","","","0.892","","","","has coordinates","236062","2020-10-21","18:00:00",""
"1553818","14.884","0.002","4.3831","0.0006","27.39","0.003","90","","117.921","0.006","90","","1578.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 I2 O4 -","- C15 H10 I2 O4 -","- C60 H40 I8 O16 -","4","1","","Tang, Yang; Yu, Qiong; Ma, Shengming","Efficient trifluoromethylation via the cyclopropanation of allenes and subsequent C–C bond cleavage","Organic Chemistry Frontiers","2017","4","9","1762","","10.1039/C7QO00419B","","","0.71073","MoKα","","0.1052","0.0835","","","0.1766","0.1859","","","","","","1.14","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553819","14.9433","0.0006","9.3141","0.0004","17.6377","0.0006","90","","102.36","0.001","90","","2397.98","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 F3 N O5 -","- C25 H26 F3 N O5 -","- C100 H104 F12 N4 O20 -","4","1","","Tang, Yang; Yu, Qiong; Ma, Shengming","Efficient trifluoromethylation via the cyclopropanation of allenes and subsequent C–C bond cleavage","Organic Chemistry Frontiers","2017","4","9","1762","","10.1039/C7QO00419B","","","0.71073","MoKα","","0.0948","0.0494","","","0.1183","0.1463","","","","","","1.016","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553820","15.6855","0.0006","9.6366","0.0003","13.4345","0.0005","90","","96.4","0.001","90","","2018.03","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 F3 N O4 -","- C21 H24 F3 N O4 -","- C84 H96 F12 N4 O16 -","4","1","","Tang, Yang; Yu, Qiong; Ma, Shengming","Efficient trifluoromethylation via the cyclopropanation of allenes and subsequent C–C bond cleavage","Organic Chemistry Frontiers","2017","4","9","1762","","10.1039/C7QO00419B","","","0.71073","MoKα","","0.0632","0.0424","","","0.1036","0.1171","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553821","8.577","0.0004","11.253","0.0005","11.3999","0.0005","83.261","0.001","69.715","0.001","68.411","0.001","959.58","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 F3 O5 -","- C19 H21 F3 O5 -","- C38 H42 F6 O10 -","2","1","","Tang, Yang; Yu, Qiong; Ma, Shengming","Efficient trifluoromethylation via the cyclopropanation of allenes and subsequent C–C bond cleavage","Organic Chemistry Frontiers","2017","4","9","1762","","10.1039/C7QO00419B","","","0.71073","MoKα","","0.074","0.0615","","","0.1764","0.1907","","","","","","1.082","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553822","16.2553","0.0002","8.3116","0.0001","24.8996","0.0004","90","","90","","90","","3364.12","0.08","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C152 H120 N24 O32 -","8","2","","Krylov, Igor B.; Paveliev, Stanislav A.; Shelimov, Boris N.; Lokshin, Boris V.; Garbuzova, Irina A.; Tafeenko, Viktor A.; Chernyshev, Vladimir V.; Budnikov, Alexander S.; Nikishin, Gennady I.; Terent'ev, Alexander O.","Selective cross-dehydrogenative C–O coupling of N-hydroxy compounds with pyrazolones. Introduction of the diacetyliminoxyl radical into the practice of organic synthesis","Organic Chemistry Frontiers","2017","4","10","1947","","10.1039/C7QO00447H","","","1.54186","CuKα","","0.078","0.0593","","","0.1415","0.1484","","","","","","0.893","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553823","25.317","0.004","8.8649","0.0015","22.042","0.004","90","","120.571","0.002","90","","4259.3","1.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 F2 O3 P -","- C24 H21 F2 O3 P -","- C192 H168 F16 O24 P8 -","8","1","","Zhang, Pengbo; Ying, Jianxi; Tang, Guo; Zhao, Yufen","Phosphinodifluoroalkylation of alkynes using P(O)H compounds and ethyl difluoroiodoacetate","Organic Chemistry Frontiers","2017","4","10","2054","","10.1039/C7QO00466D","","","0.71073","MoKα","","0.054","0.049","","","0.1296","0.1347","","","","","","1.0601","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553824","7.75","0.001","20.882","0.003","14.5149","0.0019","90","","93.914","0.003","90","","2343.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N2 O5 -","- C26 H28 N2 O5 -","- C104 H112 N8 O20 -","4","1","","Yang, Minghua; Zhang, Shusheng; Zhang, Xiang; Wang, Haoyang; Zhang, Fang; Hou, Yuting; Su, Yue; Guo, Yinlong","An unexpected acid-catalyzed decomposition reaction of cilnidipine and pranidipine to the decarboxylative bridged tricyclic products via cascade rearrangements","Organic Chemistry Frontiers","2017","4","11","2163","","10.1039/C7QO00496F","","","0.71073","MoKα","","0.1081","0.0778","","","0.1691","0.1841","","","","","","1.134","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553825","9.6871","0.0007","14.029","0.0007","23.8866","0.0017","90","","90.258","0.006","90","","3246.2","0.4","289.9","0.3","289.9","0.3","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C144 H176 O40 -","8","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel–Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","","0.7107","MoKα","","0.0806","0.0545","","","0.1326","0.1516","","","","","","1.093","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553826","10.2811","0.0005","28.3515","0.0009","12.9191","0.0005","90","","103.741","0.005","90","","3657.9","0.3","291.08","0.1","291.08","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O6 -","- C20 H26 O6 -","- C160 H208 O48 -","8","2","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel–Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","","0.7107","MoKα","","0.1557","0.0668","","","0.1262","0.1747","","","","","","1.026","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553827","22.151","0.0011","9.8005","0.0004","26.0531","0.0013","90","","117.401","0.006","90","","5021.3","0.5","292.59","0.11","292.59","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H33 N O7 S -","- C27 H33 N O7 S -","- C216 H264 N8 O56 S8 -","8","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel–Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","x-ray","0.71073","MoKα","","0.0815","0.0529","","","0.114","0.1334","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553828","8.9279","0.0006","10.0249","0.0007","10.8557","0.001","115.731","0.008","104.925","0.007","90.322","0.006","838","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O6 -","- C18 H22 O6 -","- C36 H44 O12 -","2","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel–Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","x-ray","0.71073","MoKα","","0.0681","0.0495","","","0.1075","0.1189","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553829","5.9908","0.0005","12.2284","0.001","23.731","0.003","90","","90","","90","","1738.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","","0.71073","MoKα","","0.1199","0.0686","","","0.1491","0.1997","","","","","","0.991","","","","has coordinates","236073","2020-10-21","18:00:00",""
"1553830","13.7047","0.0006","15.4463","0.0007","24.0895","0.001","90","","97.806","0.004","90","","5052.2","0.4","290.74","0.1","290.74","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H33 N O7 S -","- C27 H33 N O7 S -","- C216 H264 N8 O56 S8 -","8","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel–Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","","0.7107","MoKα","","0.1132","0.0598","","","0.1021","0.1244","","","","","","1.062","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553831","8.981","0.002","10.331","0.003","10.885","0.003","66.11","0.03","71.31","0.03","87.32","0.02","870.7","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C38 H48 O10 -","2","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","","0.71073","MoKα","","0.1259","0.0673","","","0.1341","0.1744","","","","","","1.034","","","","has coordinates,has disorder","236073","2020-10-21","18:00:00",""
"1553832","9.88","0.002","10.9717","0.0017","12.836","0.002","85.382","0.013","71.391","0.017","65.05","0.019","1193.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 N O7 S -","- C25 H29 N O7 S -","- C50 H58 N2 O14 S2 -","2","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel–Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","","0.71073","MoKα","","0.095","0.057","","","0.1195","0.1501","","","","","","1.036","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553833","7.3052","0.0011","10.5757","0.0016","14.449","0.002","88.853","0.003","83.694","0.003","77.708","0.003","1084.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 Cl F3 N O5 -","- C23 H19 Cl F3 N O5 -","- C46 H38 Cl2 F6 N2 O10 -","2","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Tunable regiodivergent phosphine-catalyzed [3 + 2] cycloaddition of alkynones and trifluoroacetyl phenylamides","Organic Chemistry Frontiers","2017","4","12","2392","","10.1039/C7QO00512A","","","0.71073","MoKα","","0.0638","0.0465","","","0.1114","0.1227","","","","","","1.015","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553834","11.287","0.002","12.727","0.002","14.808","0.003","90","","103.68","0.004","90","","2066.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 Cl F3 N O4 -","- C19 H23 Cl F3 N O4 -","- C76 H92 Cl4 F12 N4 O16 -","4","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Tunable regiodivergent phosphine-catalyzed [3 + 2] cycloaddition of alkynones and trifluoroacetyl phenylamides","Organic Chemistry Frontiers","2017","4","12","2392","","10.1039/C7QO00512A","","","0.71073","MoKα","","0.0781","0.0568","","","0.1427","0.1542","","","","","","1.044","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553835","21.872","0.003","7.604","0.001","24.313","0.003","90","","110.597","0.003","90","","3785.1","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Cl F3 N O3 -","- C21 H17 Cl F3 N O3 -","- C168 H136 Cl8 F24 N8 O24 -","8","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Tunable regiodivergent phosphine-catalyzed [3 + 2] cycloaddition of alkynones and trifluoroacetyl phenylamides","Organic Chemistry Frontiers","2017","4","12","2392","","10.1039/C7QO00512A","","","0.71073","MoKα","","0.0662","0.0487","","","0.1124","0.1212","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553836","6.9086","0.0008","9.5831","0.0007","19.453","0.002","90","","96.737","0.01","90","","1279","0.2","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","2","","Zhang, Wei; Yu, Wenlong; Yan, Qiangqiang; Liu, Zhanxiang; Zhang, Yuhong","Synthesis of substituted oxazoles via Pd-catalyzed tandem oxidative cyclization","Organic Chemistry Frontiers","2017","4","12","2428","","10.1039/C7QO00517B","","","0.71073","MoKα","","0.1472","0.1365","","","0.3471","0.3583","","","","","","1.333","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553837","11.7381","0.0004","13.2058","0.0005","14.4879","0.0006","90","","98.487","0.002","90","","2221.19","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N O5 S -","- C25 H29 N O5 S -","- C100 H116 N4 O20 S4 -","4","1","","Lv, Leiyang; Lu, Shenglin; Chen, Yuanjin; Li, Zhiping","Diastereoselective building up polycyclic tetrahydrofurans via tandem annulation of 1,n-enynes with aliphatic acids","Organic Chemistry Frontiers","2017","4","11","2147","","10.1039/C7QO00527J","","","0.71073","MoKα","","0.0408","0.0347","","","0.0876","0.0914","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553838","8.0159","0.0011","15.545","0.003","21.174","0.003","90","","90","","90","","2638.4","0.7","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 N O7 S -","- C29 H25 N O7 S -","- C116 H100 N4 O28 S4 -","4","1","","Li, Shoulei; Zhang, Enge; Feng, Junjun; Li, Xin","An enantioselective conjugate addition reaction of 3-substituted benzothiophen-2-ones and 2-phthalimidoacrylates","Organic Chemistry Frontiers","2017","4","12","2301","","10.1039/C7QO00531H","","","0.71073","MoKα","","0.0315","0.0276","","","0.07","0.072","","","","","","1.014","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553839","9.5214","0.0008","9.6784","0.0008","9.8861","0.0008","114.205","0.008","92.568","0.007","116.743","0.008","712.04","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 F N2 O2 -","- C15 H17 F N2 O2 -","- C30 H34 F2 N4 O4 -","2","1","","Yang, Zi; Lin, Xing; Wang, Lianhui; Cui, Xiuling","Facile synthesis of 1-aminoindoles via Rh(iii)-catalysed intramolecular three-component annulation","Organic Chemistry Frontiers","2017","4","11","2179","","10.1039/C7QO00541E","","x-ray","1.54184","CuKα","","0.044","0.0376","","","0.1015","0.1075","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553840","10.723","0.016","9.856","0.015","20.94","0.03","90","","100.205","0.017","90","","2178","6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Br N O4 S -","- C23 H22 Br N O4 S -","- C92 H88 Br4 N4 O16 S4 -","4","1","","Wang, Weiyi; He, Qiuqin; Fan, Renhua","PhI(OAc)2-mediated dialkoxylation of 4-aminostyrenes through a dearomatization process under metal-free conditions","Organic Chemistry Frontiers","2017","4","11","2156","","10.1039/C7QO00545H","","","0.71073","MoKα","","0.1743","0.0976","","","0.2577","0.3288","","","","","","0.996","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553841","13.746","0.002","8.2548","0.0013","15.646","0.003","90","","104.468","0.002","90","","1719.1","0.5","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C68 H84 N4 O16 S4 -","4","1","","Wang, Weiyi; He, Qiuqin; Fan, Renhua","PhI(OAc)2-mediated dialkoxylation of 4-aminostyrenes through a dearomatization process under metal-free conditions","Organic Chemistry Frontiers","2017","4","11","2156","","10.1039/C7QO00545H","","","0.71073","MoKα","","0.0557","0.0433","","","0.1308","0.1447","","","","","","1.103","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553842","11.7394","0.0011","19.838","0.0019","16.5546","0.0012","90","","94.489","0.007","90","","3843.5","0.6","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Cl2 N2 O2 Pd -","- C40 H48 Cl2 N2 O2 Pd -","- C160 H192 Cl8 N8 O8 Pd4 -","4","1","","Chen, Fu-Min; Huang, Fei-Dong; Yao, Xue-Yi; Li, Tian; Liu, Feng-Shou","Direct C‒H heteroarylation by an acenaphthyl-based α-diimine palladium complex: improvement of the reaction efficiency for bi(hetero)aryls under aerobic conditions","Organic Chemistry Frontiers","2017","4","12","2336","","10.1039/C7QO00562H","","x-ray","0.71073","MoKα","","0.1182","0.0986","","","0.2046","0.2146","","","","","","1.185","","","","has coordinates","236088","2020-10-21","18:00:00",""
"1553843","7.973","0.0003","12.9128","0.0005","14.3781","0.0008","90","","90","","90","","1480.28","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3a","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","Wu, Qiuju; Li, Chengcheng; Wang, Weihong; Wang, Hongling; Pan, Dingwu; Zheng, Pengcheng","NHC-catalyzed enantioselective synthesis of dihydropyran-4-carbonitriles bearing all-carbon quaternary centers","Organic Chemistry Frontiers","2017","4","12","2323","","10.1039/C7QO00571G","","","1.54178","CuKα","","0.0445","0.0406","","","0.106","0.1097","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553844","11.831","0.0008","8.4718","0.0005","16.4581","0.001","90","","90.759","0.006","90","","1649.45","0.18","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Wu, Shangze; Huang, Xin; Fu, Chunling; Ma, Shengming","Asymmetric SN2′-type C–H functionalization of arenes with propargylic alcohols","Organic Chemistry Frontiers","2017","4","10","2002","","10.1039/C7QO00588A","","","0.71073","MoKα","","0.0821","0.0489","","","0.1144","0.1394","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553845","8.316","0.002","10.229","0.002","13.179","0.003","69.905","0.018","82.818","0.018","72.23","0.019","1002.3","0.4","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 N O -","- C24 H27 N O -","- C48 H54 N2 O2 -","2","1","","Wu, Shangze; Huang, Xin; Fu, Chunling; Ma, Shengming","Asymmetric SN2′-type C–H functionalization of arenes with propargylic alcohols","Organic Chemistry Frontiers","2017","4","10","2002","","10.1039/C7QO00588A","","","0.71073","MoKα","","0.2693","0.0889","","","0.1758","0.2639","","","","","","0.994","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553846","11.781","0.001","12.2621","0.0007","12.7517","0.001","90","","110.261","0.009","90","","1728.1","0.2","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 I N O2 -","- C17 H22 I N O2 -","- C68 H88 I4 N4 O8 -","4","1","","Wu, Shangze; Huang, Xin; Fu, Chunling; Ma, Shengming","Asymmetric SN2′-type C–H functionalization of arenes with propargylic alcohols","Organic Chemistry Frontiers","2017","4","10","2002","","10.1039/C7QO00588A","","","0.71073","MoKα","","0.0708","0.046","","","0.0999","0.1149","","","","","","1.054","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553847","20.993","0.007","3.9406","0.0012","12.147","0.004","90","","95.906","0.005","90","","999.5","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br F3 O S -","- C8 H6 Br F3 O S -","- C32 H24 Br4 F12 O4 S4 -","4","1","","Zhang, Yunxiao; Wu, Dongping; Weng, Zhiqiang","Synthesis of 1,2,2-trifluorovinyl sulphides and selenides from trifluorovinylation of organic thiocyanates and selenocyanates","Organic Chemistry Frontiers","2017","4","11","2226","","10.1039/C7QO00595D","","","0.71073","MoKα","","0.0616","0.0498","","","0.1371","0.1432","","","","","","1.072","","","","has coordinates","236093","2020-10-21","18:00:00",""
"1553848","9.3385","0.0018","11.1134","0.0014","11.912","0.002","69.983","0.007","88.735","0.008","69.443","0.007","1080.8","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Br N O4 S -","- C26 H20 Br N O4 S -","- C52 H40 Br2 N2 O8 S2 -","2","1","","Jin, Hongxing; Li, Erqing; Huang, You","Divergent synthesis of hydropyridine derivatives via nitrogen-containing Lewis base mediated regioselective [4 + 2] cyclizations","Organic Chemistry Frontiers","2017","4","11","2216","","10.1039/C7QO00596B","","","0.71073","MoKα","","0.0323","0.0253","","","0.0686","0.0704","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553849","27.96","0.01","10.908","0.003","16.954","0.006","90","","121.023","0.005","90","","4431","3","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Br N O4 S -","- C26 H20 Br N O4 S -","- C208 H160 Br8 N8 O32 S8 -","8","1","","Jin, Hongxing; Li, Erqing; Huang, You","Divergent synthesis of hydropyridine derivatives via nitrogen-containing Lewis base mediated regioselective [4 + 2] cyclizations","Organic Chemistry Frontiers","2017","4","11","2216","","10.1039/C7QO00596B","","","0.71073","MoKα","","0.0333","0.0258","","","0.0619","0.0643","","","","","","1.025","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553850","9.7797","0.001","10.9021","0.0011","14.8619","0.0015","90","","90","","90","","1584.6","0.3","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O4 S -","- C18 H16 O4 S -","- C72 H64 O16 S4 -","4","1","","Zhao, Wei-Wei; Liu, Yan-Kai","Enantio- and diastereoselective synthesis of tetrahydrofuro[2,3-b]furan-2(3H)-one derivatives and related oxygen heterocycles via an asymmetric organocatalytic cascade process","Organic Chemistry Frontiers","2017","4","12","2358","","10.1039/C7QO00621G","","","0.71073","MoKα","","0.0427","0.034","","","0.086","0.0919","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553851","9.8074","0.0005","13.2321","0.0005","17.7176","0.0007","100.836","0.003","99.601","0.004","93.264","0.003","2217.36","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H96 Cl6 N6 O10 -","- C100 H96 Cl6 N6 O10 -","- C100 H96 Cl6 N6 O10 -","1","0.5","","Zhang, Yuehong; Wang, Chiming; Chen, Xin; Pan, Houhe; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang","Novel, linear oligoisoindole compounds with a conjugated electronic structure","Organic Chemistry Frontiers","2017","4","12","2364","","10.1039/C7QO00631D","","","1.54178","CuKα","","0.0751","0.0658","","","0.183","0.1934","","","","","","1.018","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553852","8.9041","0.0004","14.0916","0.0007","16.2768","0.0008","104.121","0.004","91.824","0.004","94.954","0.004","1970.23","0.17","150","","150","","","","","","","","","5","P 1","P 1","1","","diisoindole","","- C88 H122 N2 O4 S2 -","- C88 H122 N2 O4 S2 -","- C88 H122 N2 O4 S2 -","1","1","","Zhang, Yuehong; Wang, Chiming; Chen, Xin; Pan, Houhe; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang","Novel, linear oligoisoindole compounds with a conjugated electronic structure","Organic Chemistry Frontiers","2017","4","12","2364","","10.1039/C7QO00631D","","","1.54178","CuKα","","0.0527","0.0466","","","0.1245","0.1314","","","","","","1.024","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553853","18.0089","0.0005","19.4187","0.0005","29.7417","0.0007","90.357","0.002","95.539","0.002","107.328","0.002","9875.8","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","hexaisoindole","","- C202 H249 Cl14 N9 O15 -","- C202 H249 Cl14 N9 O15 -","- C404 H498 Cl28 N18 O30 -","2","1","","Zhang, Yuehong; Wang, Chiming; Chen, Xin; Pan, Houhe; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang","Novel, linear oligoisoindole compounds with a conjugated electronic structure","Organic Chemistry Frontiers","2017","4","12","2364","","10.1039/C7QO00631D","","","1.54178","CuKα","","0.1424","0.1121","","","0.3263","0.3551","","","","","","1.3","","","","has coordinates","236096","2020-10-21","18:00:00",""
"1553854","9.9153","0.0002","27.367","0.0005","23.7531","0.0004","90","","93.29","0.002","90","","6434.8","0.2","249.9","","249.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C132 H154 Cl12 N6 O8 -","- C132 H154 Cl12 N6 O8 -","- C264 H308 Cl24 N12 O16 -","2","0.5","","Zhang, Yuehong; Wang, Chiming; Chen, Xin; Pan, Houhe; Qi, Dongdong; Wang, Kang; Jiang, Jianzhuang","Novel, linear oligoisoindole compounds with a conjugated electronic structure","Organic Chemistry Frontiers","2017","4","12","2364","","10.1039/C7QO00631D","","","1.54178","CuKα","","0.095","0.0802","","","0.2411","0.2554","","","","","","1.063","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553855","5.1621","0.0006","16.3247","0.0018","20.251","0.002","90","","90","","90","","1706.5","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Cl N O4 S -","- C18 H16 Cl N O4 S -","- C72 H64 Cl4 N4 O16 S4 -","4","1","","Deng, Hua; He, Fu-Sheng; Li, Cong-Shan; Yang, Wu-Lin; Deng, Wei-Ping","Enantioselective construction of tricyclic pyrrolidine-fused benzo[b]thiophene 1,1-dioxide derivatives via copper(i)-catalyzed asymmetric 1,3-dipolar cycloaddition","Organic Chemistry Frontiers","2017","4","12","2343","","10.1039/C7QO00640C","","","0.71073","MoKα","","0.0476","0.042","","","0.1066","0.1107","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553866","8.4885","0.0005","10.6796","0.0006","16.8127","0.0009","74.369","0.004","82.265","0.004","75.011","0.005","1414.37","0.14","296","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H36 N2 O4 -","- C31 H36 N2 O4 -","- C62 H72 N4 O8 -","2","1","","Wu, Jia-Le; Wang, Jing-Yi; Wu, Ping; Mei, Guang-Jian; Shi, Feng","Catalytic asymmetric C2-nucleophilic substitutions of C3-substituted indoles with ortho-hydroxybenzyl alcohols","Organic Chemistry Frontiers","2017","4","12","2465","","10.1039/C7QO00649G","","","1.54178","CuKα","","0.1161","0.075","","","0.1876","0.2188","","","","","","1.011","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553867","18.5578","0.0009","18.5578","0.0009","9.8682","0.0006","90","","90","","120","","2943.2","0.3","296","","296","","","","","","","","","4","P 61","P 61","169","","","","- C23 H20 N O2 -","- C23 H21 N O2 -","- C138 H126 N6 O12 -","6","1","","Wu, Jia-Le; Wang, Jing-Yi; Wu, Ping; Mei, Guang-Jian; Shi, Feng","Catalytic asymmetric C2-nucleophilic substitutions of C3-substituted indoles with ortho-hydroxybenzyl alcohols","Organic Chemistry Frontiers","2017","4","12","2465","","10.1039/C7QO00649G","","","1.54178","CuKα","","0.0543","0.0434","","","0.1186","0.1284","","","","","","1.015","","","","has coordinates","236104","2020-10-21","18:00:00",""
"1553868","6.0777","0.0007","22.245","0.003","11.8606","0.0015","90","","96.163","0.002","90","","1594.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C68 H88 N8 O8 -","4","1","","Liu, Xueke; Qian, Ping; Wang, Yi; Pan, Yi","Metal-free sequential decarbonylative annulation of N-cyanamides for the construction of 2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ones","Organic Chemistry Frontiers","2017","4","12","2370","","10.1039/C7QO00677B","","","0.71073","MoKα","","0.1128","0.0778","","","0.2365","0.274","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553869","21.107","0.003","7.3437","0.0011","21.914","0.003","90","","101.993","0.005","90","","3322.6","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C160 H176 N16 O8 -","8","1","","Liu, Xueke; Qian, Ping; Wang, Yi; Pan, Yi","Metal-free sequential decarbonylative annulation of N-cyanamides for the construction of 2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ones","Organic Chemistry Frontiers","2017","4","12","2370","","10.1039/C7QO00677B","","","0.71073","MoKα","","0.0959","0.0818","","","0.2146","0.2278","","","","","","1.072","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553870","7.9044","0.0001","11.5678","0.0002","15.8146","0.0002","90","","98.267","0.001","90","","1431.01","0.04","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H38 O9 -","- C31 H38 O9 -","- C62 H76 O18 -","2","1","","Luo, Jun; Huang, Wan-Sha; Hu, Sheng-Mou; Zhang, Pan-Pan; Zhou, Xu-Wei; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jian-Guang; Wang, Chen; Liu, Chang; Yao, He-Quan; Zhang, Can; Sun, Hong-Bin; Chen, Yi-Jun; Kong, Ling-Yi","Rearranged limonoids with unique 6/5/6/5 tetracarbocyclic skeletons from Toona ciliata and biomimetic structure divergence","Organic Chemistry Frontiers","2017","4","12","2417","","10.1039/C7QO00678K","","","1.54184","CuKα","","0.035","0.0337","","","0.0879","0.0896","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553871","14.6815","0.0001","17.2043","0.0002","23.1115","0.0002","90","","90","","90","","5837.62","0.09","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 O9 -","- C31 H38 O9 -","- C248 H304 O72 -","8","2","","Luo, Jun; Huang, Wan-Sha; Hu, Sheng-Mou; Zhang, Pan-Pan; Zhou, Xu-Wei; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jian-Guang; Wang, Chen; Liu, Chang; Yao, He-Quan; Zhang, Can; Sun, Hong-Bin; Chen, Yi-Jun; Kong, Ling-Yi","Rearranged limonoids with unique 6/5/6/5 tetracarbocyclic skeletons from Toona ciliata and biomimetic structure divergence","Organic Chemistry Frontiers","2017","4","12","2417","","10.1039/C7QO00678K","","","1.54184","CuKα","","0.0685","0.0635","","","0.1821","0.1891","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553875","8.4549","0.0014","13.872","0.002","14.009","0.002","117.552","0.003","101.368","0.004","92.964","0.004","1408.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 Br2 N2 O3 S -","- C25 H24 Br2 N2 O3 S -","- C50 H48 Br4 N4 O6 S2 -","2","1","","Jiang, Bo; Shi, Min","Rhodium(ii)-catalyzed intermolecular [3 + 2] annulation of N-vinyl indoles with N-tosyl-1,2,3-triazoles via an aza-vinyl Rh carbene","Organic Chemistry Frontiers","2017","4","12","2459","","10.1039/C7QO00703E","","","0.71073","MoKα","","0.0839","0.0508","","","0.121","0.1326","","","","","","0.919","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553876","13.823","0.002","11.5473","0.0019","30.267","0.005","90","","98.559","0.006","90","","4777.4","1.3","272","2","272.29","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 Br2 N3 O6 S2 -","- C44 H45 Br2 N3 O6 S2 -","- C176 H180 Br8 N12 O24 S8 -","4","1","","Jiang, Bo; Shi, Min","Rhodium(ii)-catalyzed intermolecular [3 + 2] annulation of N-vinyl indoles with N-tosyl-1,2,3-triazoles via an aza-vinyl Rh carbene","Organic Chemistry Frontiers","2017","4","12","2459","","10.1039/C7QO00703E","","","0.71073","MoKα","","0.154","0.0663","","","0.1613","0.2048","","","","","","0.941","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553877","11.936","0.0015","13.1209","0.0017","13.8558","0.0016","89.702","0.004","84.883","0.003","66.69","0.003","1983.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H38 Br N3 O4 S2 -","- C43 H38 Br N3 O4 S2 -","- C86 H76 Br2 N6 O8 S4 -","2","1","","Jiang, Bo; Shi, Min","Rhodium(ii)-catalyzed intermolecular [3 + 2] annulation of N-vinyl indoles with N-tosyl-1,2,3-triazoles via an aza-vinyl Rh carbene","Organic Chemistry Frontiers","2017","4","12","2459","","10.1039/C7QO00703E","","","0.71073","MoKα","","0.1209","0.059","","","0.1505","0.1878","","","","","","0.925","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553878","10.688","0.002","10.745","0.002","11.245","0.002","103.535","0.004","94.412","0.004","96.045","0.004","1241.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 N2 O2 S -","- C31 H26 N2 O2 S -","- C62 H52 N4 O4 S2 -","2","1","","Jiang, Bo; Shi, Min","Rhodium(ii)-catalyzed intermolecular [3 + 2] annulation of N-vinyl indoles with N-tosyl-1,2,3-triazoles via an aza-vinyl Rh carbene","Organic Chemistry Frontiers","2017","4","12","2459","","10.1039/C7QO00703E","","","0.71073","MoKα","","0.0744","0.0571","","","0.143","0.1554","","","","","","1.015","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553879","24.816","0.003","10.401","0.0011","16.9512","0.0018","90","","96.192","0.002","90","","4349.8","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 Br N2 O2 S -","- C25 H21 Br N2 O2 S -","- C200 H168 Br8 N16 O16 S8 -","8","1","","Jiang, Bo; Shi, Min","Rhodium(ii)-catalyzed intermolecular [3 + 2] annulation of N-vinyl indoles with N-tosyl-1,2,3-triazoles via an aza-vinyl Rh carbene","Organic Chemistry Frontiers","2017","4","12","2459","","10.1039/C7QO00703E","","","0.71073","MoKα","","0.0655","0.0429","","","0.0996","0.1099","","","","","","1.016","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553881","24.1839","0.0009","31.5567","0.0009","12.6112","0.0003","90","","104.99","0.003","90","","9296.9","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H112 Cl2 N28 O26 -","- C72 H84 N28 O22 -","- C288 H336 N112 O88 -","4","0.5","","Xiao, Zhi-You; Lin, Rui-Lian; Tao, Zhu; Liu, Qing-Yun; Liu, Jing-Xin; Xiao, Xin","Multiple noncovalent interaction constructed polymeric supramolecular crystals: recognition of butyl viologen by para-dicyclohexanocucurbit[6]uril and α,α′,δ,δ′-tetramethylcucurbit[6]uril","Organic Chemistry Frontiers","2017","4","12","2422","","10.1039/C7QO00708F","","","0.71073","MoKα","","0.1978","0.1121","","","0.2997","0.347","","","","","","1.005","","","","has coordinates,has disorder","236118","2020-10-21","18:00:00",""
"1553882","12.8381","0.0007","15.6916","0.0009","22.2878","0.0013","92.995","0.002","98.521","0.002","106.862","0.002","4227.9","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H176 Cl6 N52 O50 Sr2 -","- C108 H124 Cl4 N52 O40 Sr2 -","- C108 H124 Cl4 N52 O40 Sr2 -","1","0.5","","Xiao, Zhi-You; Lin, Rui-Lian; Tao, Zhu; Liu, Qing-Yun; Liu, Jing-Xin; Xiao, Xin","Multiple noncovalent interaction constructed polymeric supramolecular crystals: recognition of butyl viologen by para-dicyclohexanocucurbit[6]uril and α,α′,δ,δ′-tetramethylcucurbit[6]uril","Organic Chemistry Frontiers","2017","4","12","2422","","10.1039/C7QO00708F","","","0.71073","MoKα","","0.081","0.0615","","","0.1789","0.1905","","","","","","1.014","","","","has coordinates,has disorder","236118","2020-10-21","18:00:00",""
"1554192","10.374","0.014","12.619","0.014","15.496","0.017","71.92","0.06","80.91","0.05","71.19","0.04","1822","4","122","2","122","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H27 B N8 O -","- C46 H27 B N8 O -","- C92 H54 B2 N16 O2 -","2","1","","Gotfredsen, Henrik; Kilde, Martin Drøhse; Santella, Marco; Kadziola, Anders; Nielsen, Mogens Brøndsted","Fluorescence switching with subphthalocyanine-dihydroazulene dyads","Molecular Systems Design & Engineering","2019","4","1","199","","10.1039/C8ME00075A","","","0.71073","MoKα","","0.0943","0.076","","","0.2092","0.2286","","","","","","1.023","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554193","7.6185","0.0007","16.5025","0.0016","14.1512","0.0014","90","","92.267","0.006","90","","1777.8","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Phenyl-capped tetra(aniline)-ES bis(perchlorate) tetrahydrofuran solvate; [TANI-ES](ClO4)2.2THF","N1,N1?-(1,4-phenylene)-bis(N4-phenylbenzene-1,4-diamine) dication bis(perchlorate) tetrahydrofuran solvate","","- C38 H42 Cl2 N4 O10 -","- C38 H42 Cl2 N4 O10 -","- C76 H84 Cl4 N8 O20 -","2","0.5","","Mills, Benjamin M.; Shao, Zhecheng; Flynn, Stephanie R.; Rannou, Patrice; Lindsay, David M.; Fey, Natalie; Faul, Charl F. J.","Tipping the polaron‒bipolaron balance: concentration and spin effects in doped oligo(aniline)s observed by UV-vis-NIR and TD-DFT","Molecular Systems Design & Engineering","2019","4","1","103","","10.1039/C8ME00082D","","","1.54184","CuKα","","0.0752","0.0582","","","0.1386","0.1506","","","","","","1.07","","","","has coordinates,has disorder","236867","2020-10-21","18:00:00",""
"1554627","7.6484","0.0013","16.154","0.003","11.156","0.002","90","","106.283","0.004","90","","1323.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N8 O9 -","- C6 H6 N8 O9 -","- C24 H24 N32 O36 -","4","1","","Huang, Qi; Guo, Zhicheng; Liao, Longyu; Hao, Shilong; Nie, Fude; Li, Hongzhen","Customization of the molecular structure to modulate the crystal packing style of energetic materials","Molecular Systems Design & Engineering","2019","4","5","1032","","10.1039/C9ME00051H","","","0.71073","MoKα","","0.0651","0.0499","","","0.1207","0.1307","","","","","","1.068","","","","has coordinates","237910","2020-10-21","18:00:00",""
"1554628","7.0912","0.0005","7.0912","0.0005","34.097","0.004","90","","90","","90","","1714.6","0.3","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C8 H8 N10 O14 -","- C8 H8 N10 O14 -","- C32 H32 N40 O56 -","4","0.5","","Huang, Qi; Guo, Zhicheng; Liao, Longyu; Hao, Shilong; Nie, Fude; Li, Hongzhen","Customization of the molecular structure to modulate the crystal packing style of energetic materials","Molecular Systems Design & Engineering","2019","4","5","1032","","10.1039/C9ME00051H","","","0.71073","MoKα","","0.0427","0.039","","","0.0956","0.0978","","","","","","1.083","","","","has coordinates","237910","2020-10-21","18:00:00",""
"1554629","11.0661","0.0015","13.9316","0.0019","15.839","0.002","90","","90","","90","","2441.9","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 N8 O8 -","- C6 H6 N8 O8 -","- C48 H48 N64 O64 -","8","1","","Huang, Qi; Guo, Zhicheng; Liao, Longyu; Hao, Shilong; Nie, Fude; Li, Hongzhen","Customization of the molecular structure to modulate the crystal packing style of energetic materials","Molecular Systems Design & Engineering","2019","4","5","1032","","10.1039/C9ME00051H","","","0.71073","MoKα","","0.0598","0.0464","","","0.1049","0.111","","","","","","1.089","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554630","8.6068","0.0009","14.9193","0.0015","14.6169","0.0012","90","","110.458","0.005","90","","1758.5","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H30 I N3 -","- C13 H30 I N3 -","- C52 H120 I4 N12 -","4","1","","Xue, Boxin; Wang, Fen; Zheng, Jifu; Li, Shenghai; Zhang, Suobo","Highly stable polysulfone anion exchange membranes incorporated with bulky alkyl substituted guanidinium cations","Molecular Systems Design & Engineering","2019","4","5","1039","","10.1039/C9ME00064J","","","0.71073","MoKα","","0.0418","0.0332","","","0.0798","0.0855","","","","","","1.046","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1554631","9.9771","0.0009","18.0751","0.0017","8.9806","0.0008","90","","104.318","0.002","90","","1569.2","0.2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H28 Cl N3 O2 -","- C13 H28 Cl N3 O2 -","- C52 H112 Cl4 N12 O8 -","4","0.5","","Xue, Boxin; Wang, Fen; Zheng, Jifu; Li, Shenghai; Zhang, Suobo","Highly stable polysulfone anion exchange membranes incorporated with bulky alkyl substituted guanidinium cations","Molecular Systems Design & Engineering","2019","4","5","1039","","10.1039/C9ME00064J","","","0.71073","MoKα","","0.0553","0.0465","","","0.1177","0.1246","","","","","","1.068","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1555228","8.8749","0.0007","8.8749","0.0007","20.4808","0.0017","90","","90","","90","","1613.1","0.2","90","2","90","2","","","","","","","","4","P 41","P 4w","76","","","","- C6 H13 N O3 -","- C6 H13 N O3 -","- C48 H104 N8 O24 -","8","2","","Chung, Ryan; Hein, Jason E.","Automated solubility and crystallization analysis of non-UV active compounds: integration of evaporative light scattering detection (ELSD) and robotic sampling","Reaction Chemistry & Engineering","2019","4","9","1674","","10.1039/C9RE00057G","","x-ray","1.54178","CuKα","","0.0308","0.0308","","","0.0834","0.0836","","","","","","1.077","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1556407","7.3633","0.0013","12.0641","0.0016","8.9185","0.0019","90","","103.738","0.013","90","","769.6","0.2","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1-Nitro-4-(1-propyn-1-yl)benzene","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","0.5","HB4327","Campos Fernandez, Cristian Saul; Pineda, Leslie W.; Cabezas Pizarro, Jorge","1-Nitro-4-(1-propyn-1-yl)benzene","IUCrData","2019","4","11","x191585","","10.1107/S2414314619015852","","","1.54178","CuKα","","0.0733","0.0569","","","0.1599","0.1785","","","","","","1.13","","","","has coordinates,has Fobs","244834","2020-10-21","18:00:00",""
"1556408","6.2991","0.0005","6.2991","0.0005","11.4659","0.001","90","","90","","90","","454.95","0.06","100","","100","","","","","","","","","3","I 4/m c m","-I 4 2c","140","Rubidium tetrafluoridobromate(III)","Rubidium tetrafluoridobromate(III)","","- Br F4 Rb -","- Br F4 Rb -","- Br4 F16 Rb4 -","4","0.125","WM4118","Malin, Artem V.; Ivlev, Sergei I.; Ostvald, Roman V.; Kraus, Florian","Rubidium tetrafluoridobromate(III): redetermination of the crystal structure from single-crystal X-ray diffraction data","IUCrData","2019","4","11","x191595","","10.1107/S2414314619015955","","","0.71073","MoKα","","0.0507","0.0203","","","0.0327","0.0378","","","","","","1.064","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:46",""
"1556476","16.2901","0.0009","17.2775","0.0008","19.5167","0.0008","103.329","0.004","101.969","0.004","118.018","0.005","4388.4","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C81 H108 Li N9 O9 Sn4 -","- C81 H108 Li N9 O9 Sn4 -","- C162 H216 Li2 N18 O18 Sn8 -","2","1","","Zeckert, K.","Monoanionic Tin Oligomers Featuring Sn-Sn or Sn-Pb Bonds: Synthesis and Characterization of a Tris(Triheteroarylstannyl)Stannate and -Plumbate","Inorganics","2016","4","","19","","10.3390/inorganics4020019","","","0.71073","MoKα","","0.1086","0.0574","","","0.0993","0.1172","","","","","","1.012","","","","has coordinates,has disorder","244959","2020-10-21","18:00:00",""
"1556477","17.2766","0.0004","19.4489","0.0006","28.6285","0.0007","88.874","0.002","85.776","0.002","65.256","0.003","8711.9","0.5","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H108 Li N9 O9 Pb Sn3 -","- C81 H108 Li N9 O9 Pb Sn3 -","- C324 H432 Li4 N36 O36 Pb4 Sn12 -","4","2","","Zeckert, K.","Monoanionic Tin Oligomers Featuring Sn-Sn or Sn-Pb Bonds: Synthesis and Characterization of a Tris(Triheteroarylstannyl)Stannate and -Plumbate","Inorganics","2016","4","","19","","10.3390/inorganics4020019","","","0.71073","MoKα","","0.0881","0.0531","","","0.092","0.105","","","","","","1.08","","","","has coordinates,has disorder","244960","2020-10-21","18:00:00",""
"1556478","14.4547","0.0003","14.4547","0.0003","8.7666","0.0003","90","","90","","120","","1586.28","0.07","130","2","130","2","","","","","","","","5","P -3","-P 3","147","","","","- C66 H84 N6 O6 Sn2 -","- C66 H84 N6 O6 Sn2 -","- C66 H84 N6 O6 Sn2 -","1","0.166667","","Zeckert, K.","Monoanionic Tin Oligomers Featuring Sn-Sn or Sn-Pb Bonds: Synthesis and Characterization of a Tris(Triheteroarylstannyl)Stannate and -Plumbate","Inorganics","2016","4","","19","","10.3390/inorganics4020019","","x-ray","0.71073","MoKα","","0.042","0.0321","","","0.06","0.0621","","","","","","1.056","","","","has coordinates","244961","2020-10-21","18:00:00",""
"1556479","9.3025","0.0003","10.1879","0.0004","15.2499","0.0006","104.318","0.002","106.891","0.002","95.661","0.002","1317.12","0.09","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H27 Br P2 -","- C32 H27 Br P2 -","- C64 H54 Br2 P4 -","2","1","","Koch, A.; Krieck, S.; Gorls, H.; Westerhausen, M.","Reduction of Bromo- and Iodo-2,6-bis(diphenylphosphanylmethyl)benzene with Magnesium and Calcium","Inorganics","2016","4","","39","","10.3390/inorganics4040039","","","0.71073","MoKα","","0.0494","0.038","","","0.0806","0.0863","","","","","","1.064","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556480","12.4695","0.0002","20.0948","0.0003","20.8722","0.0003","90","","90.828","0.001","90","","5229.45","0.14","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H54 Mg P4 -","- C64 H54 Mg P4 -","- C256 H216 Mg4 P16 -","4","1","","Koch, A.; Krieck, S.; Gorls, H.; Westerhausen, M.","Reduction of Bromo- and Iodo-2,6-bis(diphenylphosphanylmethyl)benzene with Magnesium and Calcium","Inorganics","2016","4","","39","","10.3390/inorganics4040039","","","0.71073","MoKα","","0.0718","0.0576","","","0.1255","0.1342","","","","","","1.128","","","","has coordinates","244962","2020-10-21","18:00:00",""
"1556481","12.3778","0.0003","17.8753","0.0004","14.3016","0.0003","90","","103.851","0.001","90","","3072.31","0.12","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H88 Ca2 I2 O12 P2 -","- C56 H88 Ca2 I2 O12 P2 -","- C112 H176 Ca4 I4 O24 P4 -","2","0.5","","Koch, A.; Krieck, S.; Gorls, H.; Westerhausen, M.","Reduction of Bromo- and Iodo-2,6-bis(diphenylphosphanylmethyl)benzene with Magnesium and Calcium","Inorganics","2016","4","","39","","10.3390/inorganics4040039","","","0.71073","MoKα","","0.0767","0.0701","","","0.1856","0.1914","","","","","","1.062","","","","has coordinates,has disorder","244962","2020-10-21","18:00:00",""
"1556482","11.4609","0.0003","11.5457","0.0003","14.2003","0.0003","90","","90","","90","","1879.04","0.08","133","2","133","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H28 Br2 Ca O5 -","- C12 H28 Br2 Ca O5 -","- C48 H112 Br8 Ca4 O20 -","4","0.5","","Koch, A.; Krieck, S.; Gorls, H.; Westerhausen, M.","Reduction of Bromo- and Iodo-2,6-bis(diphenylphosphanylmethyl)benzene with Magnesium and Calcium","Inorganics","2016","4","","39","","10.3390/inorganics4040039","","","0.71073","MoKα","","0.0216","0.0185","","","0.0435","0.0452","","","","","","1.099","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556483","9.2087","0.0004","10.5543","0.0004","12.699","0.0005","71.752","0.001","70.245","0.001","73.105","0.001","1079.35","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H26 N O2 P S Si -","- C22 H26 N O2 P S Si -","- C44 H52 N2 O4 P2 S2 Si2 -","2","1","","Feichtner, K.-S.; Gessner, V.H.","Synthesis and Characterization of a Sulfonyl- and Iminophosphoryl-Functionalized Methanide and Methandiide","Inorganics","2016","4","","40","","10.3390/inorganics4040040","","","0.71073","MoKα","","0.0321","0.029","","","0.1137","0.1189","","","","","","1.049","","","","has coordinates","244963","2020-10-21","18:00:00",""
"1556484","11.2841","0.001","15.3705","0.0014","16.8163","0.0015","112.315","0.003","90.34","0.003","110.779","0.003","2489.2","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H58 K2 N2 O5 P2 S2 Si2 -","- C48 H58 K2 N2 O5 P2 S2 Si2 -","- C96 H116 K4 N4 O10 P4 S4 Si4 -","2","1","","Feichtner, K.-S.; Gessner, V.H.","Synthesis and Characterization of a Sulfonyl- and Iminophosphoryl-Functionalized Methanide and Methandiide","Inorganics","2016","4","","40","","10.3390/inorganics4040040","","","0.71073","MoKα","","0.0662","0.0408","","","0.0917","0.1028","","","","","","1.001","","","","has coordinates","244963","2020-10-21","18:00:00",""
"1556485","25.265","0.003","18.972","0.002","24.452","0.003","90","","116.547","0.003","90","","10485","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C98 H121 Li8 N4 O10.5 P4 S4 Si4 -","- C98 H121 Li8 N4 O10.5 P4 S4 Si4 -","- C392 H484 Li32 N16 O42 P16 S16 Si16 -","4","1","","Feichtner, K.-S.; Gessner, V.H.","Synthesis and Characterization of a Sulfonyl- and Iminophosphoryl-Functionalized Methanide and Methandiide","Inorganics","2016","4","","40","","10.3390/inorganics4040040","","","0.71073","MoKα","","0.1004","0.0494","","","0.0947","0.1144","","","","","","1.012","","","","has coordinates,has disorder","244963","2020-10-21","18:00:00",""
"1556637","9.0277","0.0006","19.9356","0.0013","9.4811","0.0007","90","","116.169","0.002","90","","1531.43","0.18","173","2","173","2","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","1,1,3,3-Tetraethyl-5-nitroisoindoline","","- C16 H24 N2 O2 -","- C16 H24 N2 O2 -","- C64 H96 N8 O8 -","4","1","RZ4034","Tapmeyer, Lukas; Beske, Maurice; Plackmeyer, Jörn","1,1,3,3-Tetraethyl-5-nitroisoindoline","IUCrData","2019","4","12","x191629","","10.1107/S2414314619016298","","","1.54178","CuKα","","0.052","0.0512","","","0.1336","0.1344","","","","","","1.086","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:35",""
"1556638","9.9355","0.0005","17.025","0.001","9.7743","0.0006","90","","116.107","0.001","90","","1484.66","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[1-ethyl-3-methylimidazolium [tri-μ-isothiocyanato-manganate(II)]]","","- C9 H11 Mn N5 S3 -","- C9 H11 Mn N5 S3 -","- C36 H44 Mn4 N20 S12 -","4","1","RZ4036","Peppel, Tim; Köckerling, Martin","Poly[1-ethyl-3-methylimidazolium [tri-μ-isothiocyanato-manganate(II)]]","IUCrData","2019","4","12","x191659","","10.1107/S2414314619016596","","","0.71073","MoKα","","0.0405","0.0271","","","0.0605","0.0653","","","","","","0.998","","","","has coordinates,has Fobs","245314","2020-10-21","18:00:00",""
"1556639","7.0679","0.0002","9.6856","0.0004","12.151","0.0005","101.56","0.003","93.302","0.003","111.27","0.004","751.66","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,5'-(1-Phenylethane-1,1-diyl)bis(1<i>H</i>-pyrrole-2-carboxaldehyde)","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","HB4326","Loke, Shiva Krishna; Pagadala, Eswar; Kottalanka, Ravi K.","5,5'-(1-Phenylethane-1,1-diyl)bis(1<i>H</i>-pyrrole-2-carboxaldehyde)","IUCrData","2019","4","12","x191660","","10.1107/S2414314619016602","","","0.71073","MoKα","","0.0642","0.0498","","","0.132","0.1422","","","","","","1.032","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:35",""
"1556702","17.0353","0.0013","18.7759","0.0014","25.4659","0.0018","90","","90","","90","","8145.3","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{2,6-bis[(<i>E</i>)-(4-fluorobenzylimino)methyl]pyridine}nickel(II) dinitrate dihydrate","","- C42 H38 F4 N8 Ni O8 -","- C42 H38 F4 N8 Ni O8 -","- C336 H304 F32 N64 Ni8 O64 -","8","1","","Johnson, Corey R.; Basaran, Ismet; Rhaman, Md Mhahabubur; Powell, Douglas R.; Hossain, Md. Alamgir","Bis{2,6-bis[(<i>E</i>)-(4-fluorobenzylimino)methyl]pyridine}nickel(II) dinitrate dihydrate","IUCrData","2019","4","12","x191688","","10.1107/S2414314619016882","","","0.71073","MoKα","","0.0432","0.0347","","","0.0989","0.1094","","","","","","1.008","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:35",""
"1556734","17.7619","0.0005","12.7435","0.0004","28.2194","0.0008","90","","102.478","0.002","90","","6236.5","0.3","373","2","373","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-[4,5-Bis(4-bromophenyl)-1-(4-<i>tert</i>-butylphenyl)-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol","","- C31 H24 Br2 Cl2 N2 O -","- C31 H24 Br2 Cl2 N2 O -","- C248 H192 Br16 Cl16 N16 O8 -","8","1","HB4331","Devika, S.; Shraddha, K. N.; Begum, Noor Shahina","2-[4,5-Bis(4-bromophenyl)-1-(4-<i>tert</i>-butylphenyl)-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol","IUCrData","2019","4","12","x191672","","10.1107/S2414314619016729","","","0.71073","MoKα","","0.0707","0.0636","","","0.2299","0.2393","","","","","","1.153","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:35",""
"1556747","4.0922","0.001","4.0922","0.001","20.459","0.009","90","","90","","120","","296.71","0.17","99.98","0.12","99.98","0.12","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cu1.95 Se -","- Cu1.946 Se -","- Cu11.676 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","x-ray","0.71073","MoKα","","0.0631","0.0631","","","0.1522","0.1522","","","","","","1.29","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556748","4.1227","0.0008","4.1227","0.0008","20.449","0.006","90","","90","","120","","301","0.12","295","","295","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","alpha-Cu2-xSe","","- Cu1.95 Se -","- Cu1.946 Se -","- Cu11.676 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","","0.71073","MoKα","","0.0605","0.0593","","","0.1562","0.1575","","","","","","1.217","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556749","4.1299","0.0008","4.1299","0.0008","20.393","0.006","90","","90","","120","","301.22","0.12","355","0.1","355","0.1","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cu1.95 Se -","- Cu1.937 Se -","- Cu11.622 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","","0.71073","MoKα","","0.0895","0.0867","","","0.2414","0.2452","","","","","","1.252","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556750","4.1323","0.001","4.1323","0.001","20.358","0.009","90","","90","","120","","301.06","0.17","364.97","0.13","364.97","0.13","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cu1.95 Se -","- Cu1.937 Se -","- Cu11.622 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","","0.71073","MoKα","","0.1027","0.1004","","","0.2758","0.2778","","","","","","1.389","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556751","4.1327","0.0007","4.1327","0.0007","20.281","0.005","90","","90","","120","","299.98","0.1","372","0.1","372","0.1","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cu1.95 Se -","- Cu1.937 Se -","- Cu11.622 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","","0.71073","MoKα","","0.1009","0.0995","","","0.2864","0.2875","","","","","","1.429","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556752","5.8449","0.0002","5.8449","0.0002","5.8449","0.0002","90","","90","","90","","199.678","0.012","379.99","0.13","293","2","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cu1.95 Se -","- Cu1.948 Se -","- Cu7.792 Se4 -","4","0.0208333","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","","0.71073","MoKα","","0.0484","0.0484","","","0.1062","0.1062","","","","","","1.354","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556753","5.8538","0.0003","5.8538","0.0003","5.8538","0.0003","90","","90","","90","","200.592","0.018","400","0.11","293","2","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cu1.94 Se -","- Cu1.948 Se -","- Cu7.792 Se4 -","4","0.0208333","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","","0.71073","MoKα","","0.0425","0.0425","","","0.087","0.087","","","","","","1.292","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556754","4.1017","0.001","4.1017","0.001","20.42","0.007","90","","90","","120","","297.52","0.14","104","6","104","6","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cu1.77 Se -","- Cu1.765 Se -","- Cu10.59 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","x-ray","0.71073","MoKα","","0.0746","0.0746","","","0.2162","0.2162","","","","","","1.348","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556755","4.1019","0.0016","4.1019","0.0016","20.533","0.009","90","","90","","120","","299.2","0.2","99.99","0.14","99.99","0.14","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cu1.89 Se -","- Cu1.889 Se -","- Cu11.334 Se6 -","6","0.166667","","Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.","Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.","IUCrJ","2017","4","Pt 4","476","485","10.1107/S2052252517005553","","x-ray","0.71073","MoKα","","0.086","0.0791","","","0.1837","0.1916","","","","","","1.07","","","","has coordinates,has disorder","245730","2020-10-21","18:00:00",""
"1556895","12.4008","0.0005","13.8892","0.0007","25.2321","0.0011","90","","100.991","0.003","90","","4266.2","0.3","295","1","295","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(2,3,5,6-tetrafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphane-κ<i>P</i>)osmium(IV)","","- C42 H19 F16 Os P S4 -","- C42 H19 F16 Os P S4 -","- C168 H76 F64 Os4 P4 S16 -","4","1","ZL4036","Zeleny, Paulina; Arroyo, Maribel; Meléndez, Lidia; Bernès, Sylvain","Tetrakis(2,3,5,6-tetrafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphane-κ<i>P</i>)osmium(IV): a monoclinic polymorph","IUCrData","2019","4","12","x191622","","10.1107/S2414314619016225","","x-ray","0.56083","AgKα","","0.104","0.0446","","","0.0807","0.0917","","","","","","0.795","","","","has coordinates,has Fobs","246423","2020-10-21","18:00:00",""
"1556896","25.1072","0.0005","8.8634","0.0002","21.3401","0.0004","90","","112.444","0.0012","90","","4389.2","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6'-[(3,3'-Di-<i>tert</i>-butyl-5,5'-dimethoxy-1,1'-biphenyl-2,2'-diyl)bis(oxy)]bis(dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine) benzene monosolvate","","- C52 H50 O8 P2 -","- C52 H50 O8 P2 -","- C208 H200 O32 P8 -","4","1","RZ4035","Leidecker, Benedict N.; Kubis, Christoph; Spannenberg, Anke; Franke, Robert; Börner, Armin","6,6'-[(3,3'-Di-<i>tert</i>-butyl-5,5'-dimethoxy-1,1'-biphenyl-2,2'-diyl)bis(oxy)]bis(dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine) benzene monosolvate","IUCrData","2019","4","12","x191636","","10.1107/S2414314619016365","","","1.54178","CuKα","","0.0619","0.04","","","0.0946","0.1066","","","","","","1.011","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:36",""
"1556897","13.5979","0.0007","7.3148","0.0003","12.5931","0.0006","90","","112.763","0.005","90","","1155.02","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(5-Methylthiophen-2-yl)-<i>N</i>-(4-nitrophenyl)methanimine","","- C12 H10 N2 O2 S -","- C12 H10 N2 O2 S -","- C48 H40 N8 O8 S4 -","4","1","HB4328","Alicea-Velázquez, Nilda L.; Crundwell, Guy","(<i>E</i>)-1-(5-Methylthiophen-2-yl)-<i>N</i>-(4-nitrophenyl)methanimine","IUCrData","2019","4","12","x191601","","10.1107/S2414314619016018","","x-ray","0.71073","MoKα","","0.0576","0.0446","","","0.1125","0.1227","","","","","","1.067","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:36",""
"1556898","10.519","0.005","22.059","0.005","11.246","0.005","90","0.005","97.867","0.005","90","0.005","2584.9","1.8","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl 4-(3-chlorophenyl)-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C29 H26 Cl N O4 -","- C29 H26 Cl N O4 -","- C116 H104 Cl4 N4 O16 -","4","1","HB4329","Ameen, K. K. Mohammed; Ahamed, F. M. Mashood; Padusha, M. Syed Ali; Gunasekaran, B.","Diethyl 4-(3-chlorophenyl)-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate","IUCrData","2019","4","12","x191644","","10.1107/S2414314619016444","","","0.71073","MoKα","","0.1133","0.0604","","","0.1619","0.1919","","","","","","1.055","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:36",""
"1556953","13.7822","0.0006","10.7752","0.0004","27.0787","0.0013","90","","99.901","0.004","90","","3961.5","0.3","120","2","120","2","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","5,8,13,13-Tetrachloro-13<i>H</i>-dibenzo[<i>a</i>,<i>i</i>]fluorene cyclohexane hemisolvate","","- C24 H16 Cl4 -","- C24 H16 Cl4 -","- C192 H128 Cl32 -","8","1","BT4083","Detert, Heiner; Schollmeyer, Dieter","5,8,13,13-Tetrachloro-13<i>H</i>-dibenzo[<i>a</i>,<i>i</i>]fluorene cyclohexane hemisolvate","IUCrData","2019","4","2","x190236","","10.1107/S2414314619002360","","","0.71073","MoKα","","0.0481","0.0387","","","0.0953","0.1023","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","274690","2022-04-26","14:34:51",""
"1566065","7.3742","0.0002","10.054","0.0002","10.7563","0.0002","105.577","0.002","91.084","0.002","102.676","0.002","746.88","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H42.63 N8 O19.32 Zn2 -","- C16 H42.6288 N8 O19.3144 Zn2 -","- C16 H42.6288 N8 O19.3144 Zn2 -","1","0.5","","Case, Derek R.; Brennessel, William W.; Zubieta, Jon; Doyle, Robert P.","Synthesis, characterization and crystal structure of a glycylglycinate chelate of zinc(II)","Results in Chemistry","2022","4","","100274","","10.1016/j.rechem.2021.100274","","x-ray","1.54184","CuKα","","0.0488","0.0443","","","0.1192","0.1222","","","","","","1.11","","","","has coordinates,has disorder","272157","2022-01-20","10:36:34",""
"1567584","20.9197","0.0002","14.8105","0.0002","21.4828","0.0002","90","","90","","90","","6656.04","0.13","230","2","230","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C69 H63 F18 N8 P3 -","- C69 H57 F18 N8 P3 -","- C276 H228 F72 N32 P12 -","4","1","","La Cognata, Sonia; Armentano, Donatella; Marchesi, Nicoletta; Grisoli, Pietro; Pascale, Alessia; Kieffer, Marion; Taglietti, Angelo; Davis, Anthony P.; Amendola, Valeria","A Benzimidazolium-Based Organic Cage with Antimicrobial Activity","Chemistry","2022","4","3","855","864","10.3390/chemistry4030061","","","0.6889","Synchrotron","","0.2046","0.1627","","","0.4143","0.4433","","","","","","1.475","","","","has coordinates,has disorder","277683","2022-09-06","15:32:47",""
"2002289","6.01","","5.81","","8.39","","90","","90","","90","","293","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Lanthanum ytterbium oxide","","- La O3 Yb -","- La O3 Yb -","- La4 O12 Yb4 -","4","1","","Mueller-Buschbaum, Hk; Teske, C","Untersuchungen am System La2 O3 - Yb2 O3 und ueber die Kristallstruktur von La Yb O3","Inorganic and Nuclear Chemistry Letters","1968","4","","151","152","10.1016/0020-1650(68)80158-8","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2300379","4.9153","","4.9153","","16.212","","90","","90","","120","","339.209","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Lu B O3","","- B Lu O3 -","- B Lu O3 -","- B6 Lu6 O18 -","6","0.166667","","Bernstein, J.L.; Keve, E.T.; Abrahams, S.C.","Application of Normal Probability Plot Analysis to Lutetium Orthoborate Structure Factors and Parameters","Journal of Applied Crystallography","1971","4","","284","290","10.1107/S0021889871006988","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310068","7.636","","7.636","","2.8197","","90","","90","","120","","142.385","","","","","","","","","","","","","2","P -3","-P 3","147","","","","- Ag1.5 Zn1.5 -","- Ag1.5 Zn1.5 -","- Ag4.5 Zn4.5 -","3","0.5","","Qurashi, M.M.; Edmunds, I.G.","The structure of the zeta phase in the silver-zinc system","Acta Crystallographica (1,1948-23,1967)","1951","4","","417","427","10.1107/S0365110X51001379","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310092","2.96","","7.81","","2.94","","90","","90","","90","","67.966","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Cr B","","- B Cr -","- B Cr -","- B4 Cr4 -","4","0.25","","Frueh, A.J.jr.","Confirmation of the structure of chromium boride, Cr B","Acta Crystallographica (1,1948-23,1967)","1951","4","","66","67","10.1107/S0365110X51000118","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310501","10.52","","10.52","","5.57","","90","","90","","90","","616.434","","","","","","","","","","","","","1","P 42 n m","P 4n -2n","102","","","","- U -","- U -","- U30 -","30","3.75","","Tucker, C.W.jr.","The crystal structure of the beta phase of uranium","Acta Crystallographica (1,1948-23,1967)","1951","4","","425","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310705","4.06","","5.15","","8.87","","90","","90","","90","","185.463","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","K F (H2 O)2","","- F H4 K O2 -","- F H4 K O2 -","- F2 H8 K2 O4 -","2","0.5","","Anderson, T. H.; Lingafelter, E. C.","The structure of potassium fluoride dihydrate","Acta Crystallographica (1,1948-23,1967)","1951","4","","181","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310810","6.21","","6.21","","11","","90","","90","","90","","424.205","","","","","","","","","","","","","3","P 4/m c c","-P 4 2c","124","","Ca O2 (H2 O)8","","- Ca H16 O10 -","- Ca H16 O10 -","- Ca2 H32 O20 -","2","0.125","","Shineman, R.S.; King, A.J.","The space group of calcium peroxide octahydrate","Acta Crystallographica (1,1948-23,1967)","1951","4","","67","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2310851","3.079","","3.079","","25.183","","90","","90","","120","","206.756","","","","","","","","","","","","","2","P 3 m 1","P 3 -2""","156","","Si C","","- C Si -","- C Si -","- C10 Si10 -","10","1.66667","","Ramsdell, L.S.; Kohn, J.A.","Disagreement between crystal symmetry and x-ray diffraction data as shown by a new type of silicon carbide, 10H","Acta Crystallographica (1,1948-23,1967)","1951","4","","111","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310975","5.18","","3.34","","5.62","","90","","90","","90","","97.233","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni Si -","- Ni Si -","- Ni4 Si4 -","4","0.5","","Toman, K.","The structure of Ni Si","Acta Crystallographica (1,1948-23,1967)","1951","4","","462","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311062","16","","16","","7.17","","90","","90","","120","","1589.61","","","","","","","","","","","","","10","R 3 m :H","R 3 -2""","160","","(Na.875 Ca.125) (Li Al2) (Al5.8 Fe.1 Mn.1) (B O3)3 (Si6 O18) O (O H)3","","- Al7.8 B3 Ca0.125 Fe0.1 H3 Li Mn0.1 Na0.875 O31 Si6 -","- Al7.8102 B3 Ca0.125 Fe0.099 Li0.99 Mn0.099 Na0.875 O31 Si6 -","- Al23.4306 B9 Ca0.375 Fe0.297 Li2.97 Mn0.297 Na2.625 O93 Si18 -","3","0.166667","","Ito, T.; Sadanaga, R.","A Fourier analysis of the structure of tourmaline","Acta Crystallographica (1,1948-23,1967)","1951","4","","385","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311072","3.8985","","3.8985","","3.8985","","90","","90","","90","","59.251","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Mo F3","","- F3 Mo -","- F3 Mo -","- F3 Mo -","1","0.0208333","","Gutmann, V.; Jack, K.H.","The crystal structures of molybdenum trifluoride, Mo F3, and tantalum trifluoride,Ta F3","Acta Crystallographica (1,1948-23,1967)","1951","4","","244","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311073","3.9012","","3.9012","","3.9012","","90","","90","","90","","59.374","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Ta F3","","- F3 Ta -","- F3 Ta -","- F3 Ta -","1","0.0208333","","Gutmann, V.; Jack, K.H.","The Crystal Structures of Molybdenum Trifluoride, Mo F3, and Tantalum Trifluoride,Ta F3","Acta Crystallographica (1,1948-23,1967)","1951","4","","244","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311074","8.22","","8.11","","9.31","","90","","90","","90","","620.644","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(H3 N) (B F3)","","- B F3 H3 N -","- B F3 H3 N -","- B8 F24 H24 N8 -","8","1","","Hoard, J.L.; Geller, S.; Cashin, W.M.","Structures of molecular addition compounds. III.ammonia-boron trifluoride, H3 N B F3","Acta Crystallographica (1,1948-23,1967)","1951","4","","396","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:02",""
"2311077","5.73","","9.2","","4.73","","90","","90","","90","","249.347","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ni Ba O2","","- Ba Ni O2 -","- Ba Ni O2 -","- Ba4 Ni4 O8 -","4","0.25","","Lander, J.J.","The Crystal Structures of Ni O (Ba O)3, Ni O Ba O, Ba Ni O3, and Intermediate Phases With Composition Near Ba2 Ni2 O5, with a Note on Ni O","Acta Crystallographica (1,1948-23,1967)","1951","4","","148","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311078","7.14","","7.14","","7.14","","66.8","","66.8","","66.8","","294.97","","","","","","","","","","","","","3","R -3 c :R","-P 3* 2n","167","","Ni Ba3 O4","","- Ba3 Ni O4 -","- Ba3 Ni O4 -","- Ba6 Ni2 O8 -","2","0.166667","","Lander, J.J.","The crystal structures of Ni O (Ba O)3, Ni O Ba O, Ba Ni O3, and intermediate phases with composition near Ba2 Ni2 O5, with a note on Ni O","Acta Crystallographica (1,1948-23,1967)","1951","4","","148","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:02",""
"4001720","12.534","","6.2939","","10.524","","90","","90","","90","","830.215","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Silver potassium oxotitanium phosphate (.9/.1/1/1)","","- Ag0.85 K0.15 O5 P Ti -","- Ag0.85 K0.15 O5 P Ti -","- Ag6.8 K1.2 O40 P8 Ti8 -","8","2","","Harrison, W.T.A.; Phillips, M.L.F.; Calabrese, J.C.; McCarron, E.M.; Stucky, G.D.; Gier, T.E.","Effects of Substitution Chemistry in the KTiOPO4 Structure Field","Chemistry of Materials (1,1989-)","1992","4","","222","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001738","8.114","","16.061","","3.579","","90","","101.38","","90","","457.242","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Ca4 Sm O (B O3)3","","- B3 Ca4 O10 Sm -","- B3 Ca4 O10 Sm -","- B6 Ca8 O20 Sm2 -","2","0.5","","Nygren, M.; Bovin, J.O.; Norrestam, R.","Structural investigations of new calcium-rare earth (R) oxyborates with the composition Ca4RO(BO3)3","Chemistry of Materials (1,1989-)","1992","4","","737","743","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001743","4.5016","","4.5016","","6.901","","90","","90","","90","","139.845","","","","","","","","","","","","","4","I -4","I -4","82","","Li B (Ge O4)","","- B Ge Li O4 -","- B Ge Li O4 -","- B2 Ge2 Li2 O8 -","2","0.25","","Parise, J.B.; Gier, T.E.","Hydrothermal syntheses and stuctural refinements of single crystal Li B Ge O4 and Li B Si O4","Chemistry of Materials (1,1989-)","1992","4","","1065","1067","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001745","4.3792","","4.3792","","6.7784","","90","","90","","90","","129.992","","","","","","","","","","","","","4","I -4","I -4","82","","Li B (Si O4)","","- B Li O4 Si -","- B Li O4 Si -","- B2 Li2 O8 Si2 -","2","0.25","","Parise, J.B.; Gier, T.E.","Hydrothermal Syntheses and Stuctural Refinements of Single Crystal LiBGeO4 and LiBSiO4","Chemistry of Materials (1,1989-)","1992","4","","1065","1067","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002353","18.633","","18.633","","24.34","","90","","90","","90","","8450.57","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Ba14 Bi11 Mn -","- Ba14 Bi11 Mn -","- Ba112 Bi88 Mn8 -","8","0.25","","Kuromoto, T.Y.; Kauzlarich, S.M.; Webb, D.J.","Structure and properties of the transition-metal Zintl compounds: A14 Mn Bi11 (A= Ca, Sr, Ba)","Chemistry of Materials (1,1989-)","1992","4","","435","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002354","17.002","","17.002","","22.422","","90","","90","","90","","6481.48","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Bi11 Ca14 Mn -","- Bi11 Ca14 Mn -","- Bi88 Ca112 Mn8 -","8","0.25","","Kuromoto, T.Y.; Kauzlarich, S.M.; Webb, D.J.","Structure and properties of the transition-metal Zintl compounds: A14 Mn Bi11 (A= Ca, Sr, Ba)","Chemistry of Materials (1,1989-)","1992","4","","435","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002357","8.655","","8.655","","5.871","","90","","90","","120","","380.87","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Al Sn3 Zr5 -","- Al Sn3 Zr5 -","- Al2 Sn6 Zr10 -","2","0.0833333","","Kwon Young-Uk; Corbett, J.D.","Chemistry in polar intermetallic compounds. The interstitial chemistry of Zr5 Sn3","Chemistry of Materials (1,1989-)","1992","4","","1348","1355","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002358","8.6599","","8.6599","","5.8794","","90","","90","","120","","381.847","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Ga Sn3 Zr5 -","- Ga Sn3 Zr5 -","- Ga2 Sn6 Zr10 -","2","0.0833333","","Kwon Young-Uk; Corbett, J.D.","Chemistry in polar intermetallic compounds. The interstitial chemistry of Zr5 Sr3","Chemistry of Materials (1,1989-)","1992","4","","1348","1355","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002360","15.631","","6.793","","6.599","","90","","90","","90","","700.691","","","","","","","","","","","","","2","P n n a","-P 2a 2bc","52","","","","- Bi3 Sr2 -","- Bi3 Sr2 -","- Bi12 Sr8 -","4","0.5","","Merlo, F.; Fornasini, M.L.","Crystal structure of some phases and alloying behaviour in alkaline earths, europium and yttrium pnictides","Chemistry of Materials (1,1989-)","1992","4","","435","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002640","8.4268","","8.4268","","5.8001","","90","","90","","120","","356.69","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Sn3 Zr5 C","","- C Sn3 Zr5 -","- C Sn3 Zr5.03 -","- C2 Sn6 Zr10.06 -","2","0.0833333","","Kwon Young-Uk; Corbett, J.D.","Chemistry in polar intermetallic compounds. The interstitial chemistry of Zr5 Sr3","Chemistry of Materials (1,1989-)","1992","4","","1348","1355","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4029736","5.7147","0.0001","13.9252","0.0002","22.2681","0.0003","90","","93.0935","0.0007","90","","1769.48","0.05","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N4 O0.5 -","- C20 H23 N4 O0.5 -","- C80 H92 N16 O2 -","4","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.0849","0.0617","","","0.1722","0.1904","","","","","","1.083","","","","has coordinates,has disorder","301812","2025-08-19","20:48:34",""
"4029743","15.6729","0.0002","14.6136","0.0002","21.7183","0.0003","90","","103.625","0.0005","90","","4834.32","0.11","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 N4 -","- C10 H18 N4 -","- C160 H288 N64 -","16","4","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.1065","0.0499","","","0.1077","0.1272","","","","","","0.988","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029748","5.7467","0.0001","13.8294","0.0003","22.1701","0.0005","90","","93.377","0.001","90","","1758.87","0.06","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21.5 H22 N4 -","- C21.5 H22 N4 -","- C86 H88 N16 -","4","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.1201","0.0694","","","0.1947","0.2269","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029754","11.938","0.0002","16.4303","0.0003","25.0589","0.0005","90","","95.0346","0.0007","90","","4896.21","0.16","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N4 -","- C30 H26 N4 -","- C240 H208 N32 -","8","2","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.1016","0.0458","","","0.1006","0.1201","","","","","","0.97","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029763","8.5317","0.0002","8.7993","0.0002","11.5447","0.0004","81.8531","0.0012","68.8269","0.0012","61.5111","0.0014","709.83","0.04","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H24 N4 -","- C13 H24 N4 -","- C26 H48 N8 -","2","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.083","0.0497","","","0.1262","0.1443","","","","","","1.046","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029771","9.3287","0.0001","9.479","0.0001","10.4921","0.0002","87.4755","0.0006","70.5173","0.0006","76.4271","0.0006","849.64","0.02","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 N4 -","- C20 H22 N4 -","- C40 H44 N8 -","2","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.0538","0.0421","","","0.1057","0.1137","","","","","","1.058","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029774","17.0057","0.0002","8.9486","0.0001","34.3882","0.0005","90","","98.2202","0.0006","90","","5179.33","0.11","90","0.2","90","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 -","- C19 H20 N4 -","- C228 H240 N48 -","12","3","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.1268","0.067","","","0.1751","0.2107","","","","","","1.051","","","","has coordinates,has disorder","301812","2025-08-19","20:48:34",""
"4029776","33.1028","0.0005","6.1643","0.0001","20.2723","0.0004","90","","125.581","0.0011","90","","3364.33","0.11","90","0.2","90","0.2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H28 N4 -","- C17 H28 N4 -","- C136 H224 N32 -","8","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.089","0.0516","","","0.1242","0.1436","","","","","","1.028","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029779","9.8002","0.0001","7.2445","0.0001","26.1183","0.0004","90","","94.6725","0.0006","90","","1848.17","0.04","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N4 -","- C21 H24 N4 -","- C84 H96 N16 -","4","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.0729","0.046","","","0.1194","0.1342","","","","","","1.058","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029782","5.7578","0.0003","10.3819","0.0004","15.1645","0.0007","86.213","0.002","79.332","0.003","84.967","0.002","886.24","0.07","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 N4 -","- C22 H20 N4 -","- C44 H40 N8 -","2","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","1.54178","CuKα","","0.0643","0.0444","","","0.1076","0.1177","","","","","","1.035","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029784","7.2282","0.0001","14.5797","0.0003","18.0219","0.0004","90","","94.6029","0.0008","90","","1893.11","0.06","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N4 -","- C23 H22 N4 -","- C92 H88 N16 -","4","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.0825","0.0483","","","0.1195","0.1367","","","","","","1.037","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029786","11.5364","0.0002","10.5199","0.0002","31.4132","0.0006","90","","97.9299","0.0007","90","","3775.91","0.12","150","0.2","150","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 N4 -","- C19 H32 N4 -","- C152 H256 N32 -","8","2","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.1119","0.0521","","","0.1281","0.1549","","","","","","0.988","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029788","5.717","0.0011","13.99","0.003","22.318","0.005","90","","93.12","0.03","90","","1782.4","0.7","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N4 O -","- C19.768 H21.536 N4 O0.884 -","- C79.072 H86.144 N16 O3.536 -","4","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.078","0.0538","","","0.1456","0.1613","","","","","","1.038","","","","has coordinates,has disorder","178476","2020-10-21","18:00:00",""
"4029796","9.3059","0.0006","12.1138","0.0008","16.5226","0.0011","90","","100.91","0.002","90","","1828.9","0.2","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 N4 -","- C19 H32 N4 -","- C76 H128 N16 -","4","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","1.54178","CuKα","","0.0379","0.0357","","","0.0896","0.0919","","","","","","1.031","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029797","14.3412","0.0003","10.9327","0.0003","11.1408","0.0004","90","","91.0293","0.0011","90","","1746.46","0.09","90","0.2","90","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N4 -","- C18 H30 N4 -","- C72 H120 N16 -","4","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.074","0.0443","","","0.1077","0.1196","","","","","","1.07","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029798","9.3343","0.0004","9.6107","0.0004","12.4635","0.0007","70.786","0.002","74.417","0.002","67.211","0.002","960.51","0.08","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H30 N4 -","- C21 H30 N4 -","- C42 H60 N8 -","2","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.0698","0.0476","","","0.1158","0.1299","","","","","","1.046","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029799","10.7318","0.0002","11.9553","0.0002","17.3861","0.0003","106.348","0.0007","91.1499","0.0007","111.053","0.0007","1979.23","0.06","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H26 N4 -","- C22 H26 N4 -","- C88 H104 N16 -","4","2","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.1196","0.0527","","","0.1149","0.1394","","","","","","0.971","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029800","8.9442","0.0005","9.2587","0.0006","12.0545","0.0008","74.61","0.003","82.151","0.003","68.098","0.003","892.2","0.1","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H28 N4 -","- C20 H28 N4 -","- C40 H56 N8 -","2","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.1011","0.0576","","","0.1345","0.1551","","","","","","1.048","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029801","10.2471","0.0002","10.8387","0.0002","13.1028","0.0002","73.0483","0.0008","69.9698","0.0009","88.6849","0.0007","1303.04","0.04","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 N6 -","- C32 H30 N6 -","- C64 H60 N12 -","2","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.0932","0.0485","","","0.1162","0.1353","","","","","","1.002","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029802","5.5435","0.0001","27.744","0.0005","10.0705","0.0002","90","","96.989","0.001","90","","1537.32","0.05","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 N4 -","- C16 H26 N4 -","- C64 H104 N16 -","4","1","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","1.54178","CuKα","","0.0488","0.0386","","","0.0924","0.0988","","","","","","1.04","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029803","18.066","0.004","10.234","0.002","22.275","0.005","90","","90","","90","","4118.4","1.5","173","2","173","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H29 N5 O2 -","- C18 H29 N5 O2 -","- C144 H232 N40 O16 -","8","2","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.0908","0.0737","","","0.1638","0.1728","","","","","","1.116","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029804","21.483","0.003","21.483","0.003","14.924","0.003","90","","90","","120","","5964.9","1.7","168","2","168","2","","","","","","","","5","P 32","P 32","145","","","","- C30 H27 Cl2 N O3 -","- C30 H27 Cl2 N O3 -","- C270 H243 Cl18 N9 O27 -","9","3","","Akalay, Deniz; Dürner, Gerd; Bats, Jan W.; Göbel, Michael W","C2-symmetric bisamidines: chiral Brønsted bases catalysing the Diels-Alder reaction of anthrones.","Beilstein journal of organic chemistry","2008","4","","28","","10.3762/bjoc.4.28","","","0.71073","MoKα","","0.182","0.0604","","","0.0948","0.1194","","","","","","0.889","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029805","11.2325","0.0018","13.594","0.003","15.866","0.004","90","","90","","90","","2422.7","0.9","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 N O3 -","- C30 H29 N O3 -","- C120 H116 N4 O12 -","4","1","","Akalay, Deniz; Dürner, Gerd; Bats, Jan W.; Göbel, Michael W","C2-symmetric bisamidines: chiral Brønsted bases catalysing the Diels-Alder reaction of anthrones.","Beilstein journal of organic chemistry","2008","4","","28","","10.3762/bjoc.4.28","","","0.71073","MoKα","","0.1409","0.0542","","","0.0955","0.1177","","","","","","1.022","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029806","11.9956","0.001","19.4176","0.0016","39.769","0.003","90.915","0.002","92.614","0.002","91.654","0.002","9248.3","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H44 F68 I4 O4.5 -","- C74 H44 F68 I4 O4.5 -","- C296 H176 F272 I16 O18 -","4","2","","Osipov, Maksim; Chu, Qianli; Geib, Steven J.; Curran, Dennis P.; Weber, Stephen G.","Synthesis of deep-cavity fluorous calix[4]arenes as molecular recognition scaffolds.","Beilstein journal of organic chemistry","2008","4","","36","","10.3762/bjoc.4.36","","","0.71073","MoKα","","0.1988","0.1364","","","0.3055","0.3243","","","","","","1.789","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4036788","12.3295","0.0011","13.0067","0.0012","18.5167","0.0016","82.403","0.002","75.715","0.001","70.487","0.001","2708.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C31.5 H24.5 Br N2.5 O3.5 S -","- C31.5 H24.5 Br N2.5 O3.5 S -","- C126 H98 Br4 N10 O14 S4 -","4","2","","Fan, Wei; Yang, Zhen; Jiang, Bo; Li, Guigen","I<sub>2</sub>-Catalyzed sulfenylation of indoles and pyrroles using triethylammonium thiolates as sulfenylating agents.","Organic chemistry frontiers : an international journal of organic chemistry","2017","4","6","1091","1102","10.1039/C6QO00851H","","","0.71073","MoKα","","0.2123","0.0947","","","0.2052","0.2263","","","","","","1.103","","","","has coordinates,has disorder","302841","2025-10-09","10:02:22",""
"4343818","6.1","","6.1","","3.711","","90","","90","","120","","119.586","","","","","","","","","","","","","3","P -6","P -6","174","","(Na Nd F4)1.5","","- F6 Na1.5 Nd1.5 -","- F6 Na1.5 Nd1.5 -","- F6 Na1.5 Nd1.5 -","1","0.166667","","Burns, J.H.","Crystal structure of hexagonal sodium neodynium fluoride and related compounds","Inorganic Chemistry","1965","4","","881","886","","","","","","","","","","","","","","","","","","","","","","has coordinates","150549","2020-10-21","18:00:00",""
"4343819","5.83","","11.16","","7.86","","90","","94.91","","90","","509.517","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Rb Li F2","","- F2 Li Rb -","- F2 Li Rb -","- F16 Li8 Rb8 -","8","1","","Burns, J.H.; Busing, W.R.","Crystal structures of rubidium lithium fluoride, Rb Li F2, and cesium lithium fluoride, Cs Li F2","Inorganic Chemistry","1965","4","","1510","1512","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:56",""
"4343820","6.01","","11.64","","8.18","","90","","90.81","","90","","572.186","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Cs Li F2","","- Cs F2 Li -","- Cs F2 Li -","- Cs8 F16 Li8 -","8","1","","Burns, J.H.; Busing, W.R.","Crystal structures of rubidium lithium fluoride, Rb Li F2, and cesium lithium fluoride, Cs Li F2","Inorganic Chemistry","1965","4","","1510","1512","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:56",""
"4344219","6.75","","7.86","","7.61","","102","","109","","105","","349.366","","","","","","","","","","","","","5","P -1","-P 1","2","","K2 (Re2 Cl8) (H2 O)2","","- Cl8 H4 K2 O2 Re2 -","- Cl8 K2 O2 Re2 -","- Cl8 K2 O2 Re2 -","1","0.5","","Cotton, F.A.; Harris, C.B.","The Crystal and Molecular Structure of Dipotassium Octachlorodirhenate(III) Dihydrate, K2 (Re2 Cl8) (H2 O)2 .","Inorganic Chemistry","1965","4","","330","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344351","6.436","","6.436","","6.436","","90","","90","","90","","266.593","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- La Te -","- La Te -","- La4 Te4 -","4","0.0208333","","Ramsey, T.H.; Steinfink, H.; Weiss, E.J.","The phase equilibria and crystal chemistry of the rare earth group VI systems. IV. Lanthanum-tellurium","Inorganic Chemistry","1965","4","","1154","1157","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344359","13.962","","9.308","","7.312","","90","","90","","90","","950.255","","","","","","","","","","","","","6","P n a m","-P 2c 2n","62","","(Ru (N H3)4 (S O2) Cl) Cl","","- Cl2 H12 N4 O2 Ru S -","- Cl2 H12 N4 O2 Ru S -","- Cl8 H48 N16 O8 Ru4 S4 -","4","0.5","","Vogt, L. H.; Wiberley, S. E.; Katz, J. L.","The Crystal and Molecular Structure of Ruthenium-Sulfur Dioxide Coordination Compounds. I. Chlorotetraammine(sulfur dioxide)ruthenium(II) Chloride","Inorganic Chemistry","1965","4","","1157","1163","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00",""
"4344503","10.219","","10.219","","10.219","","90","","90","","90","","1067.15","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Cd2 (Re2 O7)","","- Cd2 O7 Re2 -","- Cd2 O7 Re2 -","- Cd16 O56 Re16 -","8","0.0416667","","Donohue, P.C.; Longo, J.M.; Rosenstein, R.D.; Katz, L.","The preparation and structure of cadmium rhenium oxide, Cd2 Re2 O7","Inorganic Chemistry","1965","4","","1152","1153","","","","","","","","","","","","","","","","","","","","","","has coordinates","172713","2020-10-21","18:00:00",""
"4349484","10.013","0.007","10.253","0.007","10.564","0.006","65.31","0.06","63.75","0.05","89.72","0.07","862","1.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","(Ph3PO)2MnBr2","","- C36 H30 Br2 Mn O2 P2 -","- C36 H30 Br2 Mn O2 P2 -","- C36 H30 Br2 Mn O2 P2 -","1","1","","Tang, Yuan-Yuan; Wang, Zhong-Xia; Li, Peng-Fei; You, Yu-Meng; Stroppa, Alessandro; Xiong, Ren-Gen","Brilliant triboluminescence in a potential organic‒inorganic hybrid ferroelectric: (Ph3PO)2MnBr2","Inorganic Chemistry Frontiers","2017","4","1","154","","10.1039/C6QI00148C","","","0.71073","MoKα","","0.0731","0.0403","","","0.0922","0.1483","","","","","","0.863","","","","has coordinates","234813","2020-10-21","18:00:00",""
"4349531","11.5756","0.0003","15.326","0.0004","20.1152","0.0005","90","","101.354","0.002","90","","3498.75","0.16","104.1","","104.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H106 N2 O27 V6 -","- C58 H106 N2 O27 V6 -","- C116 H212 N4 O54 V12 -","2","0.5","","Huang, Bo; Xiao, Zicheng; Wu, Baolin; Hu, Xiaokang; Hu, Xunliang; Wu, Pingfan; Wei, Yongge","Synthesis, crystal structure and spectroscopic studies of a series of hexavanadate hybrids with multiple functional groups","Inorganic Chemistry Frontiers","2017","4","1","165","","10.1039/C6QI00302H","","","0.71073","MoKα","","0.0759","0.0554","","","0.1416","0.155","","","","","","1.022","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349532","11.3754","0.0002","16.3585","0.0003","18.4016","0.0004","90","","99.0881","0.0018","90","","3381.27","0.11","103.7","","103.7","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H98 N2 O27 V6 -","- C58 H98 N2 O27 V6 -","- C116 H196 N4 O54 V12 -","2","0.5","","Huang, Bo; Xiao, Zicheng; Wu, Baolin; Hu, Xiaokang; Hu, Xunliang; Wu, Pingfan; Wei, Yongge","Synthesis, crystal structure and spectroscopic studies of a series of hexavanadate hybrids with multiple functional groups","Inorganic Chemistry Frontiers","2017","4","1","165","","10.1039/C6QI00302H","","","0.7107","MoKα","","0.0663","0.0489","","","0.1132","0.1213","","","","","","1.045","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349533","11.02","0.002","15.154","0.003","19.352","0.004","90","","97.36","0.03","90","","3205.1","1.1","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H94 N2 O23 V6 -","- C50 H94 N2 O23 V6 -","- C100 H188 N4 O46 V12 -","2","0.5","","Huang, Bo; Xiao, Zicheng; Wu, Baolin; Hu, Xiaokang; Hu, Xunliang; Wu, Pingfan; Wei, Yongge","Synthesis, crystal structure and spectroscopic studies of a series of hexavanadate hybrids with multiple functional groups","Inorganic Chemistry Frontiers","2017","4","1","165","","10.1039/C6QI00302H","","","1.54184","CuKα","","0.053","0.0462","","","0.137","0.142","","","","","","1.383","","","","has coordinates","234860","2020-10-21","18:00:00",""
"4349535","21.3041","0.0003","14.3738","0.0002","21.3818","0.0003","90","","92.286","0.01","90","","6542.34","0.17","173","0.2","173","0.2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C112 H82 Co8 Li8 N16 O81 -","- C112 H82 Co8 Li8 N16 O81 -","- C224 H164 Co16 Li16 N32 O162 -","2","0.25","","Kim, Saet Byeol; Kim, Jeung Yoon; Jeong, Nak Cheon; Ok, Kang Min","Anisotropic Li+ ion conductivity in a large single crystal of a Co(iii) coordination complex","Inorganic Chemistry Frontiers","2017","4","1","79","","10.1039/C6QI00314A","","x-ray","0.71073","MoKα","","0.0739","0.037","","","0.0738","0.0832","","","","","","0.869","","","","has coordinates","234864","2020-10-21","18:00:00",""
"4349536","14.0209","0.001","9.5023","0.001","12.8892","0.001","90","","113.564","0.01","90","","1574","0.3","173","0.2","173","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Co N2 Na O10 -","- C14 H10 Co N2 Na O10 -","- C56 H40 Co4 N8 Na4 O40 -","4","1","","Kim, Saet Byeol; Kim, Jeung Yoon; Jeong, Nak Cheon; Ok, Kang Min","Anisotropic Li+ ion conductivity in a large single crystal of a Co(iii) coordination complex","Inorganic Chemistry Frontiers","2017","4","1","79","","10.1039/C6QI00314A","","x-ray","0.71073","MoKα","","0.0458","0.0305","","","0.0695","0.0736","","","","","","0.966","","","","has coordinates","234864","2020-10-21","18:00:00",""
"4349537","6.9113","0.001","6.9113","0.001","28.4262","0.0014","90","","90","","90","","1357.8","0.3","173","0.2","173","0.2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C14 H6 Co K N2 O8 -","- C14 H6 Co K N2 O8 -","- C56 H24 Co4 K4 N8 O32 -","4","0.25","","Kim, Saet Byeol; Kim, Jeung Yoon; Jeong, Nak Cheon; Ok, Kang Min","Anisotropic Li+ ion conductivity in a large single crystal of a Co(iii) coordination complex","Inorganic Chemistry Frontiers","2017","4","1","79","","10.1039/C6QI00314A","","x-ray","0.71073","MoKα","","0.0659","0.0397","","","0.1023","0.1115","","","","","","0.99","","","","has coordinates","234864","2020-10-21","18:00:00",""
"4349538","7.026","0.001","7.026","0.001","27.891","0.003","90","","90","","90","","1376.8","0.3","173","0.2","173","0.2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H8 Co N2 O9 -","- C14 H8 Co N2 O9 -","- C56 H32 Co4 N8 O36 -","4","0.25","","Kim, Saet Byeol; Kim, Jeung Yoon; Jeong, Nak Cheon; Ok, Kang Min","Anisotropic Li+ ion conductivity in a large single crystal of a Co(iii) coordination complex","Inorganic Chemistry Frontiers","2017","4","1","79","","10.1039/C6QI00314A","","x-ray","0.71073","MoKα","","0.029","0.0262","","","0.0706","0.0717","","","","","","1.088","","","","has coordinates","234864","2020-10-21","18:00:00",""
"4349539","23.2945","0.0018","27.293","0.002","23.8874","0.0019","90","","99.429","0.002","90","","14982","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 3","9H-carbazole-3,6-dicarboxylic acid","","- C209 H144 Cu12 N25 O72 -","- C209 H144 Cu12 N25 O72 -","- C418 H288 Cu24 N50 O144 -","2","0.5","","López-Olvera, Alfredo; Sánchez-González, Elí; Campos-Reales-Pineda, Alberto; Aguilar-Granda, Andrés; Ibarra, Ilich A.; Rodríguez-Molina, Braulio","CO2 capture in a carbazole-based supramolecular polyhedron structure: the significance of Cu(ii) open metal sites","Inorganic Chemistry Frontiers","2017","4","1","56","","10.1039/C6QI00342G","","","0.71073","MoKα","","0.2271","0.1186","","","0.3171","0.3614","","","","","","1.576","","","","has coordinates","234866","2020-10-21","18:00:00",""
"4349546","7.6634","0.0002","25.2373","0.0007","15.2304","0.0004","90","","101.744","0.004","90","","2883.95","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 I4 N2 O6 U -","- C24 H14 I4 N2 O6 U -","- C96 H56 I16 N8 O24 U4 -","4","1","","Carter, Korey P.; Kalaj, Mark; Cahill, Christopher L.","Harnessing uranyl oxo atoms via halogen bonding interactions in molecular uranyl materials featuring 2,5-diiodobenzoic acid and N-donor capping ligands","Inorganic Chemistry Frontiers","2017","4","1","65","","10.1039/C6QI00352D","","x-ray","0.71073","MoKα","","0.0592","0.0399","","","0.089","0.0987","","","","","","1.041","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349547","9.2236","0.0008","28.08","0.003","8.6636","0.0008","90","","104.853","0.011","90","","2168.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 I4 N4 O10 U2 -","- C38 H24 I4 N4 O10 U2 -","- C76 H48 I8 N8 O20 U4 -","2","0.5","","Carter, Korey P.; Kalaj, Mark; Cahill, Christopher L.","Harnessing uranyl oxo atoms via halogen bonding interactions in molecular uranyl materials featuring 2,5-diiodobenzoic acid and N-donor capping ligands","Inorganic Chemistry Frontiers","2017","4","1","65","","10.1039/C6QI00352D","","x-ray","0.71073","MoKα","","0.0558","0.0362","","","0.0755","0.0839","","","","","","1.032","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349548","19.2039","0.001","10.5773","0.0005","28.8136","0.0014","90","","96.772","0.007","90","","5811.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 I4 N2 O6 U -","- C26 H14 I4 N2 O6 U -","- C208 H112 I32 N16 O48 U8 -","8","2","","Carter, Korey P.; Kalaj, Mark; Cahill, Christopher L.","Harnessing uranyl oxo atoms via halogen bonding interactions in molecular uranyl materials featuring 2,5-diiodobenzoic acid and N-donor capping ligands","Inorganic Chemistry Frontiers","2017","4","1","65","","10.1039/C6QI00352D","","x-ray","0.71073","MoKα","","0.0605","0.0344","","","0.0628","0.0709","","","","","","1.015","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349549","14.7607","0.0009","16.8925","0.001","13.3636","0.0008","90","","104.521","0.011","90","","3225.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H17 I4 N3 O6 U -","- C29 H17 I4 N3 O6 U -","- C116 H68 I16 N12 O24 U4 -","4","1","","Carter, Korey P.; Kalaj, Mark; Cahill, Christopher L.","Harnessing uranyl oxo atoms via halogen bonding interactions in molecular uranyl materials featuring 2,5-diiodobenzoic acid and N-donor capping ligands","Inorganic Chemistry Frontiers","2017","4","1","65","","10.1039/C6QI00352D","","x-ray","0.71073","MoKα","","0.0719","0.0396","","","0.0803","0.0934","","","","","","1.015","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349550","15.72","0.007","16.555","0.008","13.408","0.007","90","","106.011","0.006","90","","3354","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H16 Cl I4 N3 O6 U -","- C29 H16 Cl I4 N3 O6 U -","- C116 H64 Cl4 I16 N12 O24 U4 -","4","1","","Carter, Korey P.; Kalaj, Mark; Cahill, Christopher L.","Harnessing uranyl oxo atoms via halogen bonding interactions in molecular uranyl materials featuring 2,5-diiodobenzoic acid and N-donor capping ligands","Inorganic Chemistry Frontiers","2017","4","1","65","","10.1039/C6QI00352D","","x-ray","0.71073","MoKα","","0.0864","0.0544","","","0.1328","0.1436","","","","","","1.039","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349551","10.0684","0.0018","11.644","0.002","12.261","0.002","91.165","0.003","113.983","0.002","90.21","0.003","1313","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 Br4 N2 O6 U -","- C24 H14 Br4 N2 O6 U -","- C48 H28 Br8 N4 O12 U2 -","2","1","","Carter, Korey P.; Kalaj, Mark; Cahill, Christopher L.","Harnessing uranyl oxo atoms via halogen bonding interactions in molecular uranyl materials featuring 2,5-diiodobenzoic acid and N-donor capping ligands","Inorganic Chemistry Frontiers","2017","4","1","65","","10.1039/C6QI00352D","","x-ray","0.71073","MoKα","","0.054","0.0374","","","0.0689","0.0744","","","","","","1.001","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349554","10.997","0.002","14.914","0.003","14.368","0.003","90","","109.31","0.03","90","","2223.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N O10 Zn2 -","- C14 H12 N O10 Zn2 -","- C56 H48 N4 O40 Zn8 -","4","1","","Yu, Mei-Hui; Hu, Tong-Liang; Bu, Xian-He","A metal‒organic framework as a “turn on” fluorescent sensor for aluminum ions","Inorganic Chemistry Frontiers","2017","4","2","256","","10.1039/C6QI00362A","","","0.71073","MoKα","","0.0632","0.0537","","","0.1282","0.1336","","","","","","1.068","","","","has coordinates","234877","2020-10-21","18:00:00",""
"4349555","26.541","0.004","26.541","0.004","34.867","0.005","90","","90","","90","","24561","6","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C54 H34 F8 Fe N10 -","- C54 H34 F8 Fe N10 -","- C432 H272 F64 Fe8 N80 -","8","0.5","","Zhang, Li; Hou, Lei; Zhao, Xin; Zhang, Zengqi; Wang, Yongsong; Li, Jun","Three metalloporphyrin frameworks containing imidazole groups: synthesis, characterization and properties","Inorganic Chemistry Frontiers","2017","4","2","360","","10.1039/C6QI00381H","","","0.71073","MoKα","","0.1199","0.0772","","","0.1448","0.1847","","","","","","0.848","","","","has coordinates","234878","2020-10-21","18:00:00",""
"4349556","33.892","0.004","15.6147","0.0019","21.209","0.003","90","","115.307","0.002","90","","10147","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H26 Co F6 N8 -","- C50 H26 Co F6 N8 -","- C400 H208 Co8 F48 N64 -","8","1","","Zhang, Li; Hou, Lei; Zhao, Xin; Zhang, Zengqi; Wang, Yongsong; Li, Jun","Three metalloporphyrin frameworks containing imidazole groups: synthesis, characterization and properties","Inorganic Chemistry Frontiers","2017","4","2","360","","10.1039/C6QI00381H","","","0.71073","MoKα","","0.1356","0.0855","","","0.235","0.2619","","","","","","0.911","","","","has coordinates","234878","2020-10-21","18:00:00",""
"4349557","36.843","0.008","15.898","0.003","20.661","0.004","90","","111.869","0.005","90","","11231","4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 Co N8 -","- C58 H48 Co N8 -","- C464 H384 Co8 N64 -","8","1","","Zhang, Li; Hou, Lei; Zhao, Xin; Zhang, Zengqi; Wang, Yongsong; Li, Jun","Three metalloporphyrin frameworks containing imidazole groups: synthesis, characterization and properties","Inorganic Chemistry Frontiers","2017","4","2","360","","10.1039/C6QI00381H","","","0.71073","MoKα","","0.1793","0.0735","","","0.1621","0.191","","","","","","0.774","","","","has coordinates","234878","2020-10-21","18:00:00",""
"4349560","12.4118","0.0009","13.9055","0.0016","13.967","0.0016","90","","90","","90","","2410.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 Cl2 Co N5 O2 -","- C24 H28 Cl2 Co N5 O2 -","- C96 H112 Cl8 Co4 N20 O8 -","4","1","","Yadav, Sunil; Kumar, Sushil; Gupta, Rajeev","Cobalt complexes of pyrrolecarboxamide ligands as catalysts in nitro reduction reactions: influence of electronic substituents on catalysis and mechanistic insights","Inorganic Chemistry Frontiers","2017","4","2","324","","10.1039/C6QI00389C","","","0.71073","MoKα","","0.0919","0.0835","","","0.2028","0.206","","","","","","1.167","","","","has coordinates","234883","2020-10-21","18:00:00",""
"4349561","11.8868","0.0011","11.8963","0.0011","14.6976","0.0013","90.589","0.002","94.01","0.002","98.338","0.003","2050.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H94 Co2 Dy2 N12 O24 -","- C78 H94 Co2 Dy2 N12 O24 -","- C78 H94 Co2 Dy2 N12 O24 -","1","0.5","","Li, Jing; Wei, Rong-Min; Pu, Tian-Cheng; Cao, Fan; Yang, Li; Han, Yuan; Zhang, Yi-Quan; Zuo, Jing-Lin; Song, You","Tuning quantum tunnelling of magnetization through 3d–4f magnetic interactions: an alternative approach for manipulating single-molecule magnetism","Inorganic Chemistry Frontiers","2017","4","1","114","","10.1039/C6QI00407E","","","0.71073","MoKα","","0.0981","0.0527","","","0.1105","0.1569","","","","","","1.179","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349562","10.97","0.002","16.084","0.003","20.34","0.003","90","","114.546","0.007","90","","3264.5","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H66 Dy2 Mn2 N8 O20 -","- C66 H66 Dy2 Mn2 N8 O20 -","- C132 H132 Dy4 Mn4 N16 O40 -","2","0.5","","Li, Jing; Wei, Rong-Min; Pu, Tian-Cheng; Cao, Fan; Yang, Li; Han, Yuan; Zhang, Yi-Quan; Zuo, Jing-Lin; Song, You","Tuning quantum tunnelling of magnetization through 3d–4f magnetic interactions: an alternative approach for manipulating single-molecule magnetism","Inorganic Chemistry Frontiers","2017","4","1","114","","10.1039/C6QI00407E","","","0.71073","MoKα","","0.059","0.0383","","","0.0819","0.0901","","","","","","1.053","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349563","11.4697","0.0013","11.6701","0.0014","13.4425","0.0016","86.002","0.002","66.152","0.002","68.286","0.002","1522.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H60 Dy2 N6 O20 Zn2 -","- C62 H60 Dy2 N6 O20 Zn2 -","- C62 H60 Dy2 N6 O20 Zn2 -","1","0.5","","Li, Jing; Wei, Rong-Min; Pu, Tian-Cheng; Cao, Fan; Yang, Li; Han, Yuan; Zhang, Yi-Quan; Zuo, Jing-Lin; Song, You","Tuning quantum tunnelling of magnetization through 3d–4f magnetic interactions: an alternative approach for manipulating single-molecule magnetism","Inorganic Chemistry Frontiers","2017","4","1","114","","10.1039/C6QI00407E","","","0.71073","MoKα","","0.0542","0.0364","","","0.0892","0.1043","","","","","","1.019","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349564","30.8754","0.0009","15.5743","0.0007","38.3804","0.0014","90","","90","","90","","18455.7","1.2","149.9","0.2","149.9","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C166 H122 Cl12 N20 O12 Zn2 -","- C166 H122 Cl12 N20 O12 Zn2 -","- C664 H488 Cl48 N80 O48 Zn8 -","4","0.5","","Wang, Kang; Huang, Chunhua; Pan, Houhe; Kobayashi, Nagao; Jiang, Jianzhuang","A post-cyclotetramerization strategy towards novel binuclear phthalocyanine dimers","Inorganic Chemistry Frontiers","2017","4","1","110","","10.1039/C6QI00408C","","","1.54184","CuKα","","0.1574","0.1244","","","0.317","0.3465","","","","","","1.144","","","","has coordinates","234887","2020-10-21","18:00:00",""
"4349578","7.1665","0.0014","32.669","0.007","17.06","0.003","90","","90","","90","","3994.1","1.4","293","2","100","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C66 H78 In2 N10 O20 -","- C48 H28 In2 N4 O10 -","- C96 H56 In4 N8 O20 -","2","0.125","","Luo, Jiahuan; Wang, Jing; Cao, Yu; Yao, Shuo; Zhang, Lirong; Huo, Qisheng; Liu, Yunling","Assembly of an indium‒porphyrin framework JLU-Liu7: a mesoporous metal‒organic framework with high gas adsorption and separation of light hydrocarbons","Inorganic Chemistry Frontiers","2017","4","1","139","","10.1039/C6QI00440G","","","1.54178","CuKα","","0.0558","0.0489","","","0.1412","0.1459","","","","","","1.135","","","","has coordinates","234895","2020-10-21","18:00:00",""
"4349579","8.3881","0.0003","9.2948","0.0005","15.6577","0.0006","90","","90","","90","","1220.76","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O S3 -","- C11 H14 O S3 -","- C44 H56 O4 S12 -","4","1","","Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms","Inorganic Chemistry Frontiers","2017","4","2","270","","10.1039/C6QI00447D","","","0.71073","MoKα","","0.042","0.032","","","0.0628","0.0654","","","","","","1.04","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349580","20.3392","0.0004","18.2631","0.0004","11.261","0.0002","90","","108.353","0.001","90","","3970.21","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 Au P S6 -","- C40 H40 Au P S6 -","- C160 H160 Au4 P4 S24 -","4","0.5","","Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms","Inorganic Chemistry Frontiers","2017","4","2","270","","10.1039/C6QI00447D","","","0.71073","MoKα","","0.0303","0.022","","","0.0547","0.0573","","","","","","1.038","","","","has coordinates,has disorder","234898","2020-10-21","18:00:00",""
"4349581","20.478","0.0004","18.0224","0.0004","11.1559","0.0002","90","","108.495","0.001","90","","3904.58","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 Ni P S6 -","- C40 H40 Ni P S6 -","- C160 H160 Ni4 P4 S24 -","4","0.5","","Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms","Inorganic Chemistry Frontiers","2017","4","2","270","","10.1039/C6QI00447D","","","0.71069","MoKα","","0.0486","0.0337","","","0.0861","0.0917","","","","","","1.066","","","","has coordinates,has disorder","234898","2020-10-21","18:00:00",""
"4349582","11.69","0.0013","12.0874","0.0003","15.5643","0.0004","92.496","0.001","92.128","0.001","102.266","0.001","2144.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 Au P S6 -","- C44 H48 Au P S6 -","- C88 H96 Au2 P2 S12 -","2","1","","Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms","Inorganic Chemistry Frontiers","2017","4","2","270","","10.1039/C6QI00447D","","","0.71073","MoKα","","0.0577","0.0378","","","0.0869","0.0927","","","","","","1.019","","","","has coordinates","234898","2020-10-21","18:00:00",""
"4349583","11.6857","0.0004","12.1266","0.0004","15.3809","0.0005","92.527","0.001","91.684","0.001","102.491","0.001","2124.24","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 Ni P S6 -","- C44 H48 Ni P S6 -","- C88 H96 Ni2 P2 S12 -","2","1","","Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms","Inorganic Chemistry Frontiers","2017","4","2","270","","10.1039/C6QI00447D","","","0.71073","MoKα","","0.0415","0.032","","","0.0745","0.078","","","","","","1.049","","","","has coordinates","234898","2020-10-21","18:00:00",""
"4349584","6.2699","0.0002","16.2029","0.0007","19.4387","0.0007","90","","94.973","0.002","90","","1967.35","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Au S6 -","- C16 H20 Au S6 -","- C64 H80 Au4 S24 -","4","1","","Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms","Inorganic Chemistry Frontiers","2017","4","2","270","","10.1039/C6QI00447D","","","0.71073","MoKα","","0.0525","0.0306","","","0.0495","0.0527","","","","","","0.973","","","","has coordinates,has disorder","234898","2020-10-21","18:00:00",""
"4349585","6.191","0.0002","29.9727","0.0009","10.4844","0.0003","90","","96.24","0.002","90","","1933.97","0.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Ni S6 -","- C16 H20 Ni S6 -","- C64 H80 Ni4 S24 -","4","1","","Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms","Inorganic Chemistry Frontiers","2017","4","2","270","","10.1039/C6QI00447D","","","0.71069","MoKα","","0.0641","0.041","","","0.0802","0.0857","","","","","","1.034","","","","has coordinates,has disorder","234898","2020-10-21","18:00:00",""
"4349586","5.7474","0.0004","8.2872","0.0005","12.3617","0.0007","97.587","0.002","98.039","0.002","98.681","0.002","569.22","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H28 Au S6 -","- C20 H28 Au S6 -","- C20 H28 Au S6 -","1","0.5","","Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms","Inorganic Chemistry Frontiers","2017","4","2","270","","10.1039/C6QI00447D","","","0.71073","MoKα","","0.0282","0.0277","","","0.0631","0.0634","","","","","","1.038","","","","has coordinates","234898","2020-10-21","18:00:00",""
"4349587","5.6359","0.0002","8.354","0.0004","12.3983","0.0005","97.787","0.002","97.987","0.002","100.485","0.002","560.62","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H28 Ni S6 -","- C20 H28 Ni S6 -","- C20 H28 Ni S6 -","1","0.5","","Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms","Inorganic Chemistry Frontiers","2017","4","2","270","","10.1039/C6QI00447D","","","0.71073","MoKα","","0.0351","0.0279","","","0.0644","0.0661","","","","","","1.024","","","","has coordinates","234898","2020-10-21","18:00:00",""
"4349588","8.1133","0.0004","18.7948","0.001","19.0856","0.001","90","","98.877","0.005","90","","2875.5","0.3","173","0.1","173","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","cyq1","","- C32 H37 K O8 -","- C32 H37 K O8 -","- C128 H148 K4 O32 -","4","0.5","","Cui, Yaqin; Chen, Changjuan; Sun, Yangyang; Wu, Jincai; Pan, Xiaobo","Isoselective mechanism of the ring-opening polymerization of rac-lactide catalyzed by chiral potassium binolates","Inorganic Chemistry Frontiers","2017","4","2","261","","10.1039/C6QI00449K","","","0.71073","MoKα","","0.0789","0.0491","","","0.0961","0.1171","","","","","","1.05","","","","has coordinates","234901","2020-10-21","18:00:00",""
"4349589","10.9339","0.0011","11.3695","0.0012","14.208","0.002","107.602","0.002","96.818","0.002","109.876","0.002","1534.1","0.3","296","2","296.15","","","","","","","","","4","P 1","P 1","1","","","","- C33 H39 K O8 -","- C33 H39 K O8 -","- C66 H78 K2 O16 -","2","2","","Cui, Yaqin; Chen, Changjuan; Sun, Yangyang; Wu, Jincai; Pan, Xiaobo","Isoselective mechanism of the ring-opening polymerization of rac-lactide catalyzed by chiral potassium binolates","Inorganic Chemistry Frontiers","2017","4","2","261","","10.1039/C6QI00449K","","","0.71073","MoKα","","0.0683","0.0492","","","0.1196","0.1447","","","","","","1.035","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349590","20.3895","0.0007","33.1075","0.0012","21.087","0.0008","90","","115.982","0.002","90","","12796","0.8","101","2","101","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C106 H160 Cl4 N5 Ni4 O31 Tb -","- C106 H123 Cl4 N5 Ni4 O31 Tb -","- C424 H492 Cl16 N20 Ni16 O124 Tb4 -","4","1","","Rosado Piquer, L.; Jiménez Romero, E.; Lan, Y.; Wernsdorfer, W.; Aromí, G.; Sañudo, E. C.","Hybrid molecular-inorganic materials: a heterometallic [Ni4Tb] complex grafted on superparamagnetic iron oxide nanoparticles","Inorganic Chemistry Frontiers","2017","4","4","595","","10.1039/C6QI00468G","","","0.71073","MoKα","","0.1268","0.0772","","","0.2043","0.2481","","","","","","1.07","","","","has coordinates,has disorder","234903","2020-10-21","18:00:00",""
"4349591","20.432","0.003","33.212","0.005","21.126","0.003","90","","115.15","0.008","90","","12977","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C100.5 H147 Cl4 La N5 Ni4 O30 -","- C100.5 H113.5 Cl4 La N5 Ni4 O30 -","- C402 H454 Cl16 La4 N20 Ni16 O120 -","4","1","","Rosado Piquer, L.; Jiménez Romero, E.; Lan, Y.; Wernsdorfer, W.; Aromí, G.; Sañudo, E. C.","Hybrid molecular-inorganic materials: a heterometallic [Ni4Tb] complex grafted on superparamagnetic iron oxide nanoparticles","Inorganic Chemistry Frontiers","2017","4","4","595","","10.1039/C6QI00468G","","","0.71073","MoKα","","0.1203","0.0843","","","0.23","0.2612","","","","","","1.083","","","","has coordinates,has disorder","234903","2020-10-21","18:00:00",""
"4349592","7.4765","0.0003","9.8748","0.0005","10.3866","0.0009","85.982","0.006","77.23","0.007","71.633","0.006","709.77","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N7 O Pb -","- C13 H11 N7 O Pb -","- C26 H22 N14 O2 Pb2 -","2","1","","Mahmoudi, Ghodrat; Safin, Damir A.; Mitoraj, Mariusz P.; Amini, Mojtaba; Kubicki, Maciej; Doert, Thomas; Locherer, Franziska; Fleck, Michel","Anion-driven tetrel bond-induced engineering of lead(ii) architectures with N′-(1-(2-pyridyl)ethylidene)nicotinohydrazide: experimental and theoretical findings","Inorganic Chemistry Frontiers","2017","4","1","171","","10.1039/C6QI00477F","","","0.71073","MoKα","","0.0263","0.0239","","","0.0611","0.0619","","","","","","1.038","","","","has coordinates","234906","2020-10-21","18:00:00",""
"4349593","9.6025","0.0001","14.5202","0.0002","12.4996","0.0002","90","","100.766","0.0007","90","","1712.15","0.04","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N6 O4 Pb S -","- C14 H12 N6 O4 Pb S -","- C56 H48 N24 O16 Pb4 S4 -","4","1","","Mahmoudi, Ghodrat; Safin, Damir A.; Mitoraj, Mariusz P.; Amini, Mojtaba; Kubicki, Maciej; Doert, Thomas; Locherer, Franziska; Fleck, Michel","Anion-driven tetrel bond-induced engineering of lead(ii) architectures with N′-(1-(2-pyridyl)ethylidene)nicotinohydrazide: experimental and theoretical findings","Inorganic Chemistry Frontiers","2017","4","1","171","","10.1039/C6QI00477F","","","0.71073","MoKα","","0.0327","0.0234","","","0.0514","0.0535","","","","","","1.064","","","","has coordinates","234906","2020-10-21","18:00:00",""
"4349594","8.7072","0.0001","20.7055","0.0003","8.9634","0.0001","90","","103.069","0.0006","90","","1574.13","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N4 O3 Pb -","- C15 H14 N4 O3 Pb -","- C60 H56 N16 O12 Pb4 -","4","1","","Mahmoudi, Ghodrat; Safin, Damir A.; Mitoraj, Mariusz P.; Amini, Mojtaba; Kubicki, Maciej; Doert, Thomas; Locherer, Franziska; Fleck, Michel","Anion-driven tetrel bond-induced engineering of lead(ii) architectures with N′-(1-(2-pyridyl)ethylidene)nicotinohydrazide: experimental and theoretical findings","Inorganic Chemistry Frontiers","2017","4","1","171","","10.1039/C6QI00477F","","","0.71073","MoKα","","0.0413","0.0322","","","0.0879","0.092","","","","","","0.997","","","","has coordinates","234906","2020-10-21","18:00:00",""
"4349595","10.0724","0.0008","13.9283","0.0011","13.2362","0.001","90","","112.065","0.001","90","","1720.9","0.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cl N4 O6 Pb -","- C13 H11 Cl N4 O6 Pb -","- C52 H44 Cl4 N16 O24 Pb4 -","4","1","","Mahmoudi, Ghodrat; Safin, Damir A.; Mitoraj, Mariusz P.; Amini, Mojtaba; Kubicki, Maciej; Doert, Thomas; Locherer, Franziska; Fleck, Michel","Anion-driven tetrel bond-induced engineering of lead(ii) architectures with N′-(1-(2-pyridyl)ethylidene)nicotinohydrazide: experimental and theoretical findings","Inorganic Chemistry Frontiers","2017","4","1","171","","10.1039/C6QI00477F","","","0.71073","MoKα","","0.0274","0.0234","","","0.0691","0.0718","","","","","","0.996","","","","has coordinates,has disorder","234906","2020-10-21","18:00:00",""
"4349596","15.4332","0.0016","9.372","0.001","10.1192","0.001","90","","102.149","0.002","90","","1430.9","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N5 O3 Pb -","- C13 H11 N5 O3 Pb -","- C52 H44 N20 O12 Pb4 -","4","1","","Mahmoudi, Ghodrat; Safin, Damir A.; Mitoraj, Mariusz P.; Amini, Mojtaba; Kubicki, Maciej; Doert, Thomas; Locherer, Franziska; Fleck, Michel","Anion-driven tetrel bond-induced engineering of lead(ii) architectures with N′-(1-(2-pyridyl)ethylidene)nicotinohydrazide: experimental and theoretical findings","Inorganic Chemistry Frontiers","2017","4","1","171","","10.1039/C6QI00477F","","","0.71073","MoKα","","0.0331","0.0291","","","0.0797","0.0829","","","","","","1.081","","","","has coordinates","234906","2020-10-21","18:00:00",""
"4349597","12.8619","0.0004","15.9903","0.0005","18.1591","0.0006","90","","90","","90","","3734.7","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H15 Cl N4 O7 Pb -","- C15 H15 Cl N4 O7 Pb -","- C120 H120 Cl8 N32 O56 Pb8 -","8","1","","Mahmoudi, Ghodrat; Safin, Damir A.; Mitoraj, Mariusz P.; Amini, Mojtaba; Kubicki, Maciej; Doert, Thomas; Locherer, Franziska; Fleck, Michel","Anion-driven tetrel bond-induced engineering of lead(ii) architectures with N′-(1-(2-pyridyl)ethylidene)nicotinohydrazide: experimental and theoretical findings","Inorganic Chemistry Frontiers","2017","4","1","171","","10.1039/C6QI00477F","","","0.71073","MoKα","","0.0604","0.0404","","","0.0936","0.0963","","","","","","1.109","","","","has coordinates","234906","2020-10-21","18:00:00",""
"4349598","8.151","0.003","8.049","0.003","21.772","0.009","90","","94.501","0.006","90","","1424","1","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl N4 O5 -","- C13 H13 Cl N4 O5 -","- C52 H52 Cl4 N16 O20 -","4","1","","Mahmoudi, Ghodrat; Safin, Damir A.; Mitoraj, Mariusz P.; Amini, Mojtaba; Kubicki, Maciej; Doert, Thomas; Locherer, Franziska; Fleck, Michel","Anion-driven tetrel bond-induced engineering of lead(ii) architectures with N′-(1-(2-pyridyl)ethylidene)nicotinohydrazide: experimental and theoretical findings","Inorganic Chemistry Frontiers","2017","4","1","171","","10.1039/C6QI00477F","","","0.71073","MoKα","","0.1672","0.0825","","","0.1769","0.2144","","","","","","1.023","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349599","7.5853","0.0008","16.7226","0.0014","7.0333","0.0006","90","","90","","90","","892.15","0.14","100","","100","","","","","","","","","5","C c c m","-C 2 2c","66","","","","- Cs2 H4 Hg O2 Se2 -","- Cs2 Hg O2 Se2 -","- Cs8 Hg4 O8 Se8 -","4","0.25","","Donsbach, C.; Dehnen, S.","Syntheses and properties of selenido mercurates with [HgSe2]2−anions in diverse chemical environments","Inorganic Chemistry Frontiers","2017","4","2","336","","10.1039/C6QI00481D","","","0.71073","MoKα","","0.0594","0.0564","","","0.1406","0.1448","","","","","","1.076","","","","has coordinates","234910","2020-10-21","18:00:00",""
"4349600","8.1849","0.0007","10.3302","0.0006","4.7112","0.0003","90","","90","","90","","398.34","0.05","100","","100","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Cs2 Hg Se2 -","- Cs2 Hg Se2 -","- Cs4 Hg2 Se4 -","2","0.25","","Donsbach, C.; Dehnen, S.","Syntheses and properties of selenido mercurates with [HgSe2]2−anions in diverse chemical environments","Inorganic Chemistry Frontiers","2017","4","2","336","","10.1039/C6QI00481D","","","0.71073","MoKα","","0.0334","0.0296","","","0.0777","0.08","","","","","","1.122","","","","has coordinates","234910","2020-10-21","18:00:00",""
"4349601","22.7375","0.0009","17.1603","0.0006","19.7854","0.0005","90","","90","","90","","7719.9","0.5","100","","100","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C4 H19 Cs19 Hg7 N4 Se19 -","- C4 H18.9992 Cs19 Hg7 N4 Se19 -","- C16 H75.9968 Cs76 Hg28 N16 Se76 -","4","0.25","","Donsbach, C.; Dehnen, S.","Syntheses and properties of selenido mercurates with [HgSe2]2−anions in diverse chemical environments","Inorganic Chemistry Frontiers","2017","4","2","336","","10.1039/C6QI00481D","","","0.71073","MoKα","","0.0648","0.0418","","","0.0961","0.1023","","","","","","0.901","","","","has coordinates,has disorder","234910","2020-10-21","18:00:00",""
"4349602","10.7624","0.0005","8.894","0.0003","15.614","0.0007","90","","100.637","0.003","90","","1468.9","0.11","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cs4 H Hg O0.5 Se4 -","- Cs4 Hg O0.5 Se4 -","- Cs16 Hg4 O2 Se16 -","4","1","","Donsbach, C.; Dehnen, S.","Syntheses and properties of selenido mercurates with [HgSe2]2−anions in diverse chemical environments","Inorganic Chemistry Frontiers","2017","4","2","336","","10.1039/C6QI00481D","","","0.71073","MoKα","","0.0348","0.0195","","","0.0242","0.0255","","","","","","0.848","","","","has coordinates","234910","2020-10-21","18:00:00",""
"4349603","13.254","0.0006","13.254","0.0006","30.366","0.003","90","","90","","120","","4619.7","0.5","296","2","296","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C4.5 H0 Cu5.25 Ge3 N3 Se9.75 -","- C4.5 Cu5.25 Ge3 N3 Se9.75 -","- C36 Cu42 Ge24 N24 Se78 -","8","0.444444","","Luo, Min; Hu, Dandan; Yang, Huajun; Li, Dongsheng; Wu, Tao","PCU-type copper-rich open-framework chalcogenides: pushing up the length limit of the connection mode and the first mixed-metal [Cu7GeSe13] cluster","Inorganic Chemistry Frontiers","2017","4","2","387","","10.1039/C6QI00482B","","","0.71073","MoKα","","0.0163","0.0149","","","0.0363","0.037","","","","","","1.176","","","","has coordinates","234913","2020-10-21","18:00:00",""
"4349604","23.5208","0.0017","23.5208","0.0017","23.5208","0.0017","90","","90","","90","","13012.4","1.6","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Cu32 Ge24 Se76 -","- Cu32 Ge24 Se76 -","- Cu64 Ge48 Se152 -","2","0.0416667","","Luo, Min; Hu, Dandan; Yang, Huajun; Li, Dongsheng; Wu, Tao","PCU-type copper-rich open-framework chalcogenides: pushing up the length limit of the connection mode and the first mixed-metal [Cu7GeSe13] cluster","Inorganic Chemistry Frontiers","2017","4","2","387","","10.1039/C6QI00482B","","","0.71073","MoKα","","0.122","0.0771","","","0.1782","0.1987","","","","","","1.086","","","","has coordinates","234913","2020-10-21","18:00:00",""
"4349605","24.0523","0.0005","24.0523","0.0005","24.0523","0.0005","90","","90","","90","","13914.6","0.5","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","CuSnSe","","","- Cu32 Se76 Sn24 -","- Cu32 Se76 Sn24 -","- Cu64 Se152 Sn48 -","2","0.0416667","","Luo, Min; Hu, Dandan; Yang, Huajun; Li, Dongsheng; Wu, Tao","PCU-type copper-rich open-framework chalcogenides: pushing up the length limit of the connection mode and the first mixed-metal [Cu7GeSe13] cluster","Inorganic Chemistry Frontiers","2017","4","2","387","","10.1039/C6QI00482B","","","0.71073","MoKα","","0.113","0.061","","","0.1658","0.1789","","","","","","0.985","","","","has coordinates","234913","2020-10-21","18:00:00",""
"4349606","22.7454","0.0006","22.7454","0.0006","22.7454","0.0006","90","","90","","90","","11767.4","0.5","273","2","273","2","","","","","","","","8","I m -3","-I 2 2 3","204","1c","","","- C12 H Cl3 Cu32 Ge24 N12 Ni6 S72 -","- C12 Cl3 Cu32 Ge24 N12 Ni6 S72 -","- C24 Cl6 Cu64 Ge48 N24 Ni12 S144 -","2","0.0416667","","Luo, Min; Hu, Dandan; Yang, Huajun; Li, Dongsheng; Wu, Tao","PCU-type copper-rich open-framework chalcogenides: pushing up the length limit of the connection mode and the first mixed-metal [Cu7GeSe13] cluster","Inorganic Chemistry Frontiers","2017","4","2","387","","10.1039/C6QI00482B","","","0.71073","MoKα","","0.0955","0.0782","","","0.2023","0.2156","","","","","","1.056","","","","has coordinates","234913","2020-10-21","18:00:00",""
"4349607","11.0745","0.0004","7.0979","0.0003","8.8499","0.0003","90","","94.104","0.001","90","","693.87","0.05","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Co F10 H16 O8 U2 -","- Co F10 H16 O8 U2 -","- Co2 F20 H32 O16 U4 -","2","0.5","","Felder, Justin; Yeon, Jeongho; Smith, Mark; zur Loye, Hans-Conrad","Application of a mild hydrothermal method to the synthesis of mixed transition-metal(ii)/uranium(iv) fluorides","Inorganic Chemistry Frontiers","2017","4","2","368","","10.1039/C6QI00491A","","","0.71073","MoKα","","0.0213","0.021","","","0.0524","0.0527","","","","","","1.102","","","","has coordinates","234916","2020-10-21","18:00:00",""
"4349608","12.366","0.004","6.975","0.002","8.081","0.003","90","","93.201","0.006","90","","695.9","0.4","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F6 H6 Mn O3 U -","- F6 H6 Mn O3 U -","- F24 H24 Mn4 O12 U4 -","4","0.5","","Felder, Justin; Yeon, Jeongho; Smith, Mark; zur Loye, Hans-Conrad","Application of a mild hydrothermal method to the synthesis of mixed transition-metal(ii)/uranium(iv) fluorides","Inorganic Chemistry Frontiers","2017","4","2","368","","10.1039/C6QI00491A","","","0.71073","MoKα","","0.0154","0.0152","","","0.0371","0.0372","","","","","","1.077","","","","has coordinates","234916","2020-10-21","18:00:00",""
"4349609","12.1137","0.0007","6.9186","0.0004","7.9813","0.0004","90","","92.9113","0.0015","90","","668.05","0.06","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F6 H6 O3 U Zn -","- F6 H6 O3 U Zn -","- F24 H24 O12 U4 Zn4 -","4","0.5","","Felder, Justin; Yeon, Jeongho; Smith, Mark; zur Loye, Hans-Conrad","Application of a mild hydrothermal method to the synthesis of mixed transition-metal(ii)/uranium(iv) fluorides","Inorganic Chemistry Frontiers","2017","4","2","368","","10.1039/C6QI00491A","","","0.71073","MoKα","","0.0102","0.01","","","0.0235","0.0235","","","","","","1.13","","","","has coordinates","234916","2020-10-21","18:00:00",""
"4349610","11.0116","0.0005","7.0571","0.0003","8.8476","0.0004","90","","94.2424","0.0013","90","","685.66","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F10 H16 O8 U2 Zn -","- F10 H16 O8 U2 Zn -","- F20 H32 O16 U4 Zn2 -","2","0.5","","Felder, Justin; Yeon, Jeongho; Smith, Mark; zur Loye, Hans-Conrad","Application of a mild hydrothermal method to the synthesis of mixed transition-metal(ii)/uranium(iv) fluorides","Inorganic Chemistry Frontiers","2017","4","2","368","","10.1039/C6QI00491A","","","0.71073","MoKα","","0.013","0.0118","","","0.0272","0.0277","","","","","","1.104","","","","has coordinates","234916","2020-10-21","18:00:00",""
"4349611","10.9605","0.0007","7.0441","0.0004","8.8514","0.0006","90","","94.532","0.002","90","","681.25","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F10 H16 Ni O8 U2 -","- F10 H16 Ni O8 U2 -","- F20 H32 Ni2 O16 U4 -","2","0.5","","Felder, Justin; Yeon, Jeongho; Smith, Mark; zur Loye, Hans-Conrad","Application of a mild hydrothermal method to the synthesis of mixed transition-metal(ii)/uranium(iv) fluorides","Inorganic Chemistry Frontiers","2017","4","2","368","","10.1039/C6QI00491A","","","0.71073","MoKα","","0.0175","0.015","","","0.0272","0.0276","","","","","","1.125","","","","has coordinates","234916","2020-10-21","18:00:00",""
"4349612","7.3935","0.0004","9.1136","0.0006","12.1362","0.0007","90.411","0.002","104.798","0.002","111.102","0.002","733.14","0.08","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Cl2 Co N4 O4 -","- C36 H24 Cl2 Co N4 O4 -","- C36 H24 Cl2 Co N4 O4 -","1","0.5","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","0.71073","MoKα","","0.0831","0.0466","","","0.0895","0.1047","","","","","","1.036","","","","has coordinates","234919","2020-10-21","18:00:00",""
"4349613","9.1182","0.0004","23.7237","0.0013","7.2314","0.0004","90","","103.296","0.004","90","","1522.35","0.14","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 Cl2 Co N6 O8 -","- C36 H22 Cl2 Co N6 O8 -","- C72 H44 Cl4 Co2 N12 O16 -","2","0.5","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","1.54178","CuKα","","0.0918","0.0792","","","0.2224","0.2319","","","","","","1.064","","","","has coordinates","234919","2020-10-21","18:00:00",""
"4349614","6.992","0.0004","18.0217","0.0014","22.5014","0.0016","90","","90","","90","","2835.4","0.3","100","2","100.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H11 N3 O4 -","- C18 H11 N3 O4 -","- C144 H88 N24 O32 -","8","1","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","1.54178","CuKα","","0.1173","0.0825","","","0.2255","0.2698","","","","","","1.04","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349615","7.3139","0.0002","8.5996","0.0003","14.4546","0.0005","94.943","0.001","102.033","0.001","113.978","0.001","797.44","0.05","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Cl2 N2 O2 Zn -","- C18 H12 Cl2 N2 O2 Zn -","- C36 H24 Cl4 N4 O4 Zn2 -","2","1","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","0.71073","MoKα","","0.025","0.0214","","","0.053","0.0546","","","","","","1.063","","","","has coordinates","234919","2020-10-21","18:00:00",""
"4349616","16.4021","0.0005","13.3749","0.0004","17.2099","0.0006","90","","92.7917","0.001","90","","3771","0.2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H64 Cl6 Co3 N12 O10 -","- C80 H64 Cl6 Co3 N12 O10 -","- C160 H128 Cl12 Co6 N24 O20 -","2","0.5","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","0.71073","MoKα","","0.083","0.0406","","","0.0705","0.0824","","","","","","1.005","","","","has coordinates","234919","2020-10-21","18:00:00",""
"4349617","8.8451","0.0004","9.5894","0.0004","10.3016","0.0004","77.496","0.001","80.664","0.001","64.163","0.001","765.48","0.06","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cl2 Mn N4 O6 -","- C36 H28 Cl2 Mn N4 O6 -","- C36 H28 Cl2 Mn N4 O6 -","1","0.5","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","x-ray","0.71073","MoKα","","0.0405","0.0297","","","0.0706","0.076","","","","","","1.025","","","","has coordinates","234919","2020-10-21","18:00:00",""
"4349618","9.1815","0.0006","14.4232","0.0008","10.1911","0.0007","90","","93.965","0.002","90","","1346.34","0.15","100","2","99.96","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C72 H48 N8 O8 -","4","1","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","0.71073","MoKα","","0.0637","0.0398","","","0.0923","0.1061","","","","","","1.029","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349619","14.4265","0.0006","11.5416","0.0005","17.5201","0.0008","90","","90","","90","","2917.2","0.2","100","2","100.03","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H11 N3 O4 -","- C18 H11 N3 O4 -","- C144 H88 N24 O32 -","8","1","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","0.71073","MoKα","","0.098","0.0588","","","0.1346","0.1506","","","","","","1.058","","","","has coordinates,has disorder","234919","2020-10-21","18:00:00",""
"4349620","8.204","0.0003","9.0699","0.0003","9.5149","0.0004","80.777","0.002","79.653","0.002","71.835","0.002","657.64","0.04","100","2","99.97","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C36 H24 N4 O4 -","2","1","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","1.54178","CuKα","","0.0525","0.0447","","","0.1268","0.135","","","","","","0.995","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349621","10.4255","0.0008","11.0223","0.0008","28.403","0.003","90","","94.65","0.008","90","","3253.1","0.5","100","2","100.02","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37.33 H26 Cl2 N4.67 O4 Zn -","- C37.3332 H25.9998 Cl2 N4.6666 O4 Zn -","- C149.333 H103.999 Cl8 N18.6664 O16 Zn4 -","4","0.5","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","1.54178","CuKα","","0.1292","0.0773","","","0.2085","0.2469","","","","","","1.061","","","","has coordinates,has disorder","234919","2020-10-21","18:00:00",""
"4349622","25.4298","0.0013","4.6669","0.0002","27.8832","0.0012","90","","109.266","0.003","90","","3123.8","0.3","100","2","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H28 Cl2 Mn N4 O5 -","- C37 H28 Cl2 Mn N4 O5 -","- C148 H112 Cl8 Mn4 N16 O20 -","4","0.5","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","1.54178","CuKα","","0.0435","0.0379","","","0.1013","0.1057","","","","","","1.061","","","","has coordinates,has disorder","234919","2020-10-21","18:00:00",""
"4349623","9.5471","0.0011","11.7577","0.0012","14.0097","0.0015","69.421","0.003","87.4","0.004","67.391","0.003","1351.8","0.3","298","2","298","2","","","","","","","Precursor of the metabolic pathways","5","P 1","P 1","1","Cd-glutamate-bpee2","Compound2","","- C46 H44 Cd3 N10 O17 -","- C46 H44 Cd3 N10 O17 -","- C46 H44 Cd3 N10 O17 -","1","1","","Ugale, Bharat; Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3D homochiral metal‒organic frameworks (MOFs) of Cd(ii): selective CO2adsorption and catalytic properties for the Knoevenagel and Henry reaction","Inorganic Chemistry Frontiers","2017","4","2","348","","10.1039/C6QI00506C","","","0.71073","MoKα","","0.0437","0.0371","","","0.0898","0.0916","","","","","","1.027","","","","has coordinates","234922","2020-10-21","18:00:00",""
"4349624","10.0425","0.0005","10.7819","0.0005","15.1215","0.0007","74.98","0.002","77.163","0.002","64.873","0.002","1419.91","0.12","298","2","298","2","","","","","","","Amino acid","5","P 1","P 1","1","Cd-glutamate-bpee","Cd-MOF","","- C46 H46 Cd2 N8 O9 -","- C46 H46 Cd2 N8 O9 -","- C46 H46 Cd2 N8 O9 -","1","1","","Ugale, Bharat; Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3D homochiral metal‒organic frameworks (MOFs) of Cd(ii): selective CO2adsorption and catalytic properties for the Knoevenagel and Henry reaction","Inorganic Chemistry Frontiers","2017","4","2","348","","10.1039/C6QI00506C","","","0.71073","MoKα","","0.0477","0.0354","","","0.0734","0.0763","","","","","","1.014","","","","has coordinates","234922","2020-10-21","18:00:00",""
"4349625","10.9212","0.0006","11.0906","0.0006","13.0365","0.0005","71.247","0.004","76.901","0.004","67.048","0.005","1367.5","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 F12 Gd2 O14 S4 -","- C48 H38 F12 Gd2 O14 S4 -","- C48 H38 F12 Gd2 O14 S4 -","1","0.5","","Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei","Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets","Inorganic Chemistry Frontiers","2017","4","3","499","","10.1039/C6QI00508J","","","0.7107","MoKα","","0.0605","0.0492","","","0.1284","0.1386","","","","","","1.063","","","","has coordinates","234924","2020-10-21","18:00:00",""
"4349626","10.9144","0.0007","11.052","0.0009","13.0251","0.0012","71.071","0.008","76.611","0.007","67.152","0.007","1359.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 F12 O14 S4 Y2 -","- C48 H38 F12 O14 S4 Y2 -","- C48 H38 F12 O14 S4 Y2 -","1","0.5","","Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei","Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets","Inorganic Chemistry Frontiers","2017","4","3","499","","10.1039/C6QI00508J","","","0.7107","MoKα","","0.0946","0.0662","","","0.1715","0.1913","","","","","","1.035","","","","has coordinates","234924","2020-10-21","18:00:00",""
"4349627","26.2874","0.0007","14.2711","0.0004","18.5381","0.0006","90","","105.3","0.003","90","","6708.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H50 F12 O14 Tb2 -","- C72 H50 F12 O14 Tb2 -","- C288 H200 F48 O56 Tb8 -","4","0.5","","Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei","Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets","Inorganic Chemistry Frontiers","2017","4","3","499","","10.1039/C6QI00508J","","x-ray","0.71","MoKα","","0.0717","0.045","","","0.1028","0.1207","","","","","","1.052","","","","has coordinates,has disorder","234926","2020-10-21","18:00:00",""
"4349628","26.1533","0.0005","14.2224","0.0003","18.6514","0.0005","90","","105.158","0.002","90","","6696.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H50 Er2 F12 O14 -","- C72 H50 Er2 F12 O14 -","- C288 H200 Er8 F48 O56 -","4","0.5","","Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei","Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets","Inorganic Chemistry Frontiers","2017","4","3","499","","10.1039/C6QI00508J","","x-ray","0.71073","MoKα","","0.0708","0.0412","","","0.087","0.1054","","","","","","0.973","","","","has coordinates,has disorder","234926","2020-10-21","18:00:00",""
"4349629","10.4693","0.0005","14.2053","0.0008","14.5234","0.0007","105.513","0.005","101.95","0.004","111.582","0.005","1819.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H62 Dy2 F12 O18 -","- C74 H62 Dy2 F12 O18 -","- C74 H62 Dy2 F12 O18 -","1","0.5","","Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei","Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets","Inorganic Chemistry Frontiers","2017","4","3","499","","10.1039/C6QI00508J","","x-ray","0.7107","MoKα","","0.0579","0.0457","","","0.1207","0.1325","","","","","","1.079","","","","has coordinates","234926","2020-10-21","18:00:00",""
"4349630","10.487","0.0005","14.2174","0.0007","14.5235","0.0007","65.286","0.004","78.174","0.004","68.383","0.004","1825.41","0.17","293","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H58 F12 O18 Tb2 -","- C74 H58 F12 O18 Tb2 -","- C74 H58 F12 O18 Tb2 -","1","0.5","","Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei","Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets","Inorganic Chemistry Frontiers","2017","4","3","499","","10.1039/C6QI00508J","","x-ray","0.71073","MoKα","","0.0447","0.0358","","","0.1059","0.113","","","","","","1.115","","","","has coordinates,has disorder","234926","2020-10-21","18:00:00",""
"4349631","10.5094","0.0009","14.2002","0.001","14.5239","0.0011","65.464","0.007","78.393","0.007","68.374","0.007","1830","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H58 F12 Gd2 O18 -","- C74 H58 F12 Gd2 O18 -","- C74 H58 F12 Gd2 O18 -","1","0.5","","Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei","Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets","Inorganic Chemistry Frontiers","2017","4","3","499","","10.1039/C6QI00508J","","x-ray","0.71073","MoKα","","0.0525","0.0406","","","0.1135","0.1237","","","","","","1.051","","","","has coordinates,has disorder","234926","2020-10-21","18:00:00",""
"4349632","10.9116","0.0004","11.0698","0.0005","13.023","0.0005","71.207","0.004","76.793","0.003","67.239","0.004","1363.46","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 Dy2 F12 O14 S4 -","- C48 H38 Dy2 F12 O14 S4 -","- C48 H38 Dy2 F12 O14 S4 -","1","0.5","","Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei","Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets","Inorganic Chemistry Frontiers","2017","4","3","499","","10.1039/C6QI00508J","","","0.7107","MoKα","","0.0504","0.0414","","","0.1082","0.1182","","","","","","1.095","","","","has coordinates","234928","2020-10-21","18:00:00",""
"4349633","9.7688","0.0006","12.7894","0.0008","13.0685","0.0008","113.112","0.006","105.241","0.005","99.434","0.005","1381.69","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H42 Dy2 F12 O14 -","- C56 H42 Dy2 F12 O14 -","- C56 H42 Dy2 F12 O14 -","1","0.5","","Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei","Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets","Inorganic Chemistry Frontiers","2017","4","3","499","","10.1039/C6QI00508J","","","0.7107","MoKα","","0.0699","0.0581","","","0.1449","0.1627","","","","","","1.088","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349634","26.2297","0.0006","14.2596","0.0003","18.5801","0.0005","90","","105.255","0.003","90","","6704.6","0.3","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H50 Dy2 F12 O14 -","- C72 H50 Dy2 F12 O14 -","- C288 H200 Dy8 F48 O56 -","4","0.5","","Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei","Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets","Inorganic Chemistry Frontiers","2017","4","3","499","","10.1039/C6QI00508J","","","0.71073","MoKα","","0.0869","0.0577","","","0.146","0.1721","","","","","","1.0854","","","","has coordinates","234928","2020-10-21","18:00:00",""
"4349635","7.38","0.0015","28.29","0.006","22.47","0.005","90","","99.13","0.03","90","","4631.9","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 O11 Zn2 -","- C27 H18 O11 Zn2 -","- C108 H72 O44 Zn8 -","4","1","","Zhou, Bihang; Hua, Yinying; Cheng, Fujun; Duan, Jingui; Chen, Lingyun; Jin, Wanqin","Fabrication of morphology-preserved microporous carbon from a zeolitic-like porous coordination polymer","Inorganic Chemistry Frontiers","2017","4","2","234","","10.1039/C6QI00526H","","","0.71073","MoKα","","0.0946","0.0719","","","0.2117","0.2264","","","","","","1.037","","","","has coordinates","234930","2020-10-21","18:00:00",""
"4349636","20.034","0.005","20.034","0.005","30.459","0.005","90","0.005","90","0.005","120","0.005","10587","4","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C66 H18 N21 O24 Zn8 -","- C66 H18 N21 O24 Zn8 -","- C132 H36 N42 O48 Zn16 -","2","0.166667","","Xie, Wei; Qin, Jun-Sheng; He, Wen-Wen; Shao, Kui-Zhan; Su, Zhong-Min; Du, Dong-Ying; Li, Shun-Li; Lan, Ya-Qian","Encapsulation of an iridium complex in a metal‒organic framework to give a composite with efficient white light emission","Inorganic Chemistry Frontiers","2017","4","3","547","","10.1039/C6QI00528D","","","0.71069","MoKα","","0.1871","0.103","","","0.2483","0.2822","","","","","","0.976","","","","has coordinates,has disorder","234932","2020-10-21","18:00:00",""
"4349637","11.6179","0.0003","19.8499","0.0004","26.7528","0.0005","85.6233","0.0012","88.5791","0.0015","87.8205","0.0013","6145.6","0.2","173","2","173.15","","","","","","","","","9","P -1","-P 1","2","","","","- C57 H80 B Cl4 Cu F4 Ni P4 S2 -","- C57 B Cl4 Cu F4 Ni P4 S2 -","- C228 B4 Cl16 Cu4 F16 Ni4 P16 S8 -","4","2","","Chu, Xiaoxiao; Xu, Xin; Su, Hao; Raje, Sakthi; Angamuthu, Raja; Tung, Chen-Ho; Wang, Wenguang","Heteronuclear assembly of Ni‒Cu dithiolato complexes: synthesis, structures, and reactivity studies","Inorganic Chemistry Frontiers","2017","4","4","706","","10.1039/C6QI00536E","","","0.71","MoKα","","0.1056","0.0672","","","0.177","0.2034","","","","","","1.013","","","","has coordinates,has disorder","234935","2020-10-21","18:00:00",""
"4349638","12.202","0.005","12.646","0.005","19.879","0.008","87.047","0.004","81.675","0.004","66.275","0.003","2778.6","1.9","173","2","173.15","","","","","","","","","9","P -1","-P 1","2","","","","- C59 H60 B Cu F4 N2 Ni P4 S2 -","- C59 H60 B Cu F4 N2 Ni P4 S2 -","- C118 H120 B2 Cu2 F8 N4 Ni2 P8 S4 -","2","1","","Chu, Xiaoxiao; Xu, Xin; Su, Hao; Raje, Sakthi; Angamuthu, Raja; Tung, Chen-Ho; Wang, Wenguang","Heteronuclear assembly of Ni‒Cu dithiolato complexes: synthesis, structures, and reactivity studies","Inorganic Chemistry Frontiers","2017","4","4","706","","10.1039/C6QI00536E","","","0.71","MoKα","","0.1017","0.0542","","","0.123","0.1472","","","","","","1.034","","","","has coordinates","234935","2020-10-21","18:00:00",""
"4349639","11.637","0.004","14.059","0.005","19.665","0.007","87.551","0.003","77.012","0.003","83.794","0.003","3116","1.9","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C59 H54 B Cu F4 Ni P4 S2 -","- C59 H54 B Cu F4 Ni P4 S2 -","- C118 H108 B2 Cu2 F8 Ni2 P8 S4 -","2","1","","Chu, Xiaoxiao; Xu, Xin; Su, Hao; Raje, Sakthi; Angamuthu, Raja; Tung, Chen-Ho; Wang, Wenguang","Heteronuclear assembly of Ni–Cu dithiolato complexes: synthesis, structures, and reactivity studies","Inorganic Chemistry Frontiers","2017","4","4","706","","10.1039/C6QI00536E","","","0.71","MoKα","","0.1358","0.0631","","","0.1637","0.2039","","","","","","0.678","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349640","33.906","0.002","11.5072","0.0006","19.2841","0.001","90","","116.577","0.003","90","","6728.9","0.7","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H60 Ag2 B2 F8 Ni2 P4 S4 -","- C58 H60 Ag2 B2 F8 Ni2 P4 S4 -","- C232 H240 Ag8 B8 F32 Ni8 P16 S16 -","4","0.5","","Chu, Xiaoxiao; Xu, Xin; Su, Hao; Raje, Sakthi; Angamuthu, Raja; Tung, Chen-Ho; Wang, Wenguang","Heteronuclear assembly of Ni‒Cu dithiolato complexes: synthesis, structures, and reactivity studies","Inorganic Chemistry Frontiers","2017","4","4","706","","10.1039/C6QI00536E","","","0.71","MoKα","","0.0878","0.0613","","","0.1248","0.1346","","","","","","1.022","","","","has coordinates,has disorder","234935","2020-10-21","18:00:00",""
"4349641","9.6342","0.0019","10.239","0.002","10.592","0.002","91.283","0.003","105.014","0.002","92.062","0.002","1008","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 Ca N6 O14 -","- C34 H46 Ca N6 O14 -","- C34 H46 Ca N6 O14 -","1","0.5","","Margariti, A.; Rapti, S.; Katsenis, A. D.; Friščić, T.; Georgiou, Y.; Manos, M. J.; Papaefstathiou, G. S.","Cu2+ sorption from aqueous media by a recyclable Ca2+ framework","Inorganic Chemistry Frontiers","2017","4","5","773","","10.1039/C6QI00542J","","","0.71073","MoKα","","0.118","0.0788","","","0.2002","0.2303","","","","","","1.06","","","","has coordinates","234938","2020-10-21","18:00:00",""
"4349642","9.9483","0.0004","13.4578","0.0005","16.0323","0.0007","95.538","0.003","104.577","0.004","110.282","0.004","1908.21","0.15","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H56 Co N2 P4 Te4 -","- C24 H56 Co N2 P4 Te4 -","- C48 H112 Co2 N4 P8 Te8 -","2","1","","Yao, Xiao-Nan; Yang, Mu-Wen; Xiong, Jin; Liu, Jia-Jia; Gao, Chen; Meng, Yin-Shan; Jiang, Shang-Da; Wang, Bing-Wu; Gao, Song","Enhanced magnetic anisotropy in a tellurium-coordinated cobalt single-ion magnet","Inorganic Chemistry Frontiers","2017","4","4","701","","10.1039/C6QI00543H","","","0.71073","MoKα","","0.0707","0.0359","","","0.0526","0.0647","","","","","","1.071","","","","has coordinates","276323","2022-06-28","14:09:26",""
"4349643","8.184","0.009","13.719","0.015","16.857","0.016","112.03","0.05","90.19","0.04","106.24","0.05","1672","3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H30 N8 S6 -","- C34 H30 N8 S6 -","- C68 H60 N16 S12 -","2","1","","Speed, S.; Feng, M.; Fernandez Garcia, G.; Pointillart, F.; Lefeuvre, B.; Riobé, F.; Golhen, S.; Le Guennic, B.; Totti, F.; Guyot, Y.; Cador, O.; Maury, O.; Ouahab, L.","Lanthanide complexes involving multichelating TTF-based ligands","Inorganic Chemistry Frontiers","2017","4","4","604","","10.1039/C6QI00546B","","","0.71073","MoKα","","0.2073","0.0776","","","0.1412","0.2017","","","","","","0.969","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349644","8.1794","0.0014","14.562","0.002","14.923","0.003","111.939","0.008","95.39","0.006","96.41","0.007","1620.6","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N5 S6 -","- C34 H31 N5 S6 -","- C68 H62 N10 S12 -","2","1","","Speed, S.; Feng, M.; Fernandez Garcia, G.; Pointillart, F.; Lefeuvre, B.; Riobé, F.; Golhen, S.; Le Guennic, B.; Totti, F.; Guyot, Y.; Cador, O.; Maury, O.; Ouahab, L.","Lanthanide complexes involving multichelating TTF-based ligands","Inorganic Chemistry Frontiers","2017","4","4","604","","10.1039/C6QI00546B","","","0.71073","MoKα","","0.2","0.0807","","","0.1632","0.2349","","","","","","0.966","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349645","12.5259","0.0006","16.3942","0.0009","22.1956","0.0012","87.532","0.002","88.446","0.002","74.477","0.002","4387","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C65 H39 Cl2 F36 N5 O12 S6 Yb2 -","- C65 H39 Cl2 F36 N5 O12 S6 Yb2 -","- C130 H78 Cl4 F72 N10 O24 S12 Yb4 -","2","1","","Speed, S.; Feng, M.; Fernandez Garcia, G.; Pointillart, F.; Lefeuvre, B.; Riobé, F.; Golhen, S.; Le Guennic, B.; Totti, F.; Guyot, Y.; Cador, O.; Maury, O.; Ouahab, L.","Lanthanide complexes involving multichelating TTF-based ligands","Inorganic Chemistry Frontiers","2017","4","4","604","","10.1039/C6QI00546B","","","0.71073","MoKα","","0.0826","0.0577","","","0.1541","0.1755","","","","","","1.07","","","","has coordinates,has disorder","234942","2020-10-21","18:00:00",""
"4349646","12.5468","0.0007","16.3551","0.0009","22.1813","0.0011","87.829","0.002","88.851","0.002","74.949","0.002","4392.1","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C65 H39 Cl2 Dy2 F36 N5 O12 S6 -","- C65 H39 Cl2 Dy2 F36 N5 O12 S6 -","- C130 H78 Cl4 Dy4 F72 N10 O24 S12 -","2","1","","Speed, S.; Feng, M.; Fernandez Garcia, G.; Pointillart, F.; Lefeuvre, B.; Riobé, F.; Golhen, S.; Le Guennic, B.; Totti, F.; Guyot, Y.; Cador, O.; Maury, O.; Ouahab, L.","Lanthanide complexes involving multichelating TTF-based ligands","Inorganic Chemistry Frontiers","2017","4","4","604","","10.1039/C6QI00546B","","","0.71073","MoKα","","0.0661","0.0496","","","0.1335","0.1512","","","","","","1.136","","","","has coordinates,has disorder","234942","2020-10-21","18:00:00",""
"4349647","22.2682","0.0013","12.7174","0.0008","33.6141","0.0016","90","","100.365","0.002","90","","9364","0.9","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C72 H54 Cl4 F36 N8 O12 S6 Yb2 -","- C72 H54 Cl4 F36 N8 O12 S6 Yb2 -","- C288 H216 Cl16 F144 N32 O48 S24 Yb8 -","4","1","","Speed, S.; Feng, M.; Fernandez Garcia, G.; Pointillart, F.; Lefeuvre, B.; Riobé, F.; Golhen, S.; Le Guennic, B.; Totti, F.; Guyot, Y.; Cador, O.; Maury, O.; Ouahab, L.","Lanthanide complexes involving multichelating TTF-based ligands","Inorganic Chemistry Frontiers","2017","4","4","604","","10.1039/C6QI00546B","","","0.71073","MoKα","","0.1391","0.1173","","","0.2927","0.3091","","","","","","1.138","","","","has coordinates,has disorder","234942","2020-10-21","18:00:00",""
"4349648","41.909","0.013","24.156","0.007","11.898","0.004","90","","95.829","0.005","90","","11983","6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H44 Co2 O14 -","- C84 H44 Co2 O14 -","- C336 H176 Co8 O56 -","4","0.5","","Spanopoulos, Ioannis; Tsangarakis, Constantinos; Barnett, Sarah; Nowell, Harriot; Klontzas, Emmanuel; Froudakis, George E.; Trikalitis, Pantelis N.","Directed assembly of a high surface area 2D metal‒organic framework displaying the augmented “kagomé dual” (kgd-a) layered topology with high H2and CO2uptake","Inorganic Chemistry Frontiers","2017","4","5","825","","10.1039/C6QI00547K","","","0.8638","","","0.182","0.1634","","","0.4582","0.4674","","","","","","3.086","","","","has coordinates","234945","2020-10-21","18:00:00",""
"4349649","30.84","0.03","23.83","0.02","21.31","0.02","90","","101.531","0.013","90","","15345","2","250","2","250","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C84 H48 Cl2 Co4 N0 O18 -","- C84 H48 Cl2 Co4 O18 -","- C336 H192 Cl8 Co16 O72 -","4","0.5","","Spanopoulos, Ioannis; Tsangarakis, Constantinos; Barnett, Sarah; Nowell, Harriot; Klontzas, Emmanuel; Froudakis, George E.; Trikalitis, Pantelis N.","Directed assembly of a high surface area 2D metal‒organic framework displaying the augmented “kagomé dual” (kgd-a) layered topology with high H2and CO2uptake","Inorganic Chemistry Frontiers","2017","4","5","825","","10.1039/C6QI00547K","","","0.6889","Synchrotron","","0.2673","0.2395","","","0.5252","0.5349","","","","","","2.984","","","","has coordinates","234945","2020-10-21","18:00:00",""
"4349650","12.474","0.003","15.248","0.003","16.899","0.003","90","","90","","90","","3214.2","1.2","293","2","293","2","","","","","","","","6","P n c a","-P 2a 2n","60","AEMOF-7-Cu","","","- C16 H23 Cu0.27 Mg1.73 N3 O17 -","- C16 H8 Cu0.271 Mg1.729 N3 O17 -","- C64 H32 Cu1.084 Mg6.916 N12 O68 -","4","0.5","","Papazoi, Eleutheria; Douvali, Antigoni; Rapti, Sofia; Skliri, Euaggelia; Armatas, Gerasimos S.; Papaefstathiou, Giannis S.; Wang, Xin; Huang, Zhen-Feng; Kaziannis, Spyridon; Kosmidis, Constantine; Hatzidimitriou, Antonios G.; Lazarides, Theodore; Manos, Manolis J.","A microporous Mg2+ MOF with cation exchange properties in a single-crystal-to-single-crystal fashion","Inorganic Chemistry Frontiers","2017","4","3","530","","10.1039/C6QI00548A","","","0.71073","MoKα","","0.0928","0.0699","","","0.2719","0.2867","","","","","","1.205","","","","has coordinates","234948","2020-10-21","18:00:00",""
"4349651","15.265","0.003","16.886","0.003","12.48","0.003","90","","90","","90","","3216.9","1.2","298","2","298","2","","","","","","","","5","C m c m","-C 2c 2","63","AEMOF-7","","","- C16 H29 Mg2 N3 O20 -","- C16 H9 Mg2 N3 O20 -","- C64 H36 Mg8 N12 O80 -","4","0.25","","Papazoi, Eleutheria; Douvali, Antigoni; Rapti, Sofia; Skliri, Euaggelia; Armatas, Gerasimos S.; Papaefstathiou, Giannis S.; Wang, Xin; Huang, Zhen-Feng; Kaziannis, Spyridon; Kosmidis, Constantine; Hatzidimitriou, Antonios G.; Lazarides, Theodore; Manos, Manolis J.","A microporous Mg2+ MOF with cation exchange properties in a single-crystal-to-single-crystal fashion","Inorganic Chemistry Frontiers","2017","4","3","530","","10.1039/C6QI00548A","","","0.71073","MoKα","","0.0737","0.0596","","","0.1948","0.203","","","","","","0.989","","","","has coordinates,has disorder","234948","2020-10-21","18:00:00",""
"4349652","7.9872","0.0003","13.4223","0.0005","17.0038","0.0007","75.041","0.002","89.602","0.002","83.83","0.002","1750.53","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42.5 Cu2 N5 O19 -","- C28 H42.5 Cu2 N5 O19 -","- C56 H85 Cu4 N10 O38 -","2","1","","Kirillova, Marina V.; Santos, Carla I. M.; André, Vânia; Fernandes, Tiago A.; Dias, Sara S. P.; Kirillov, Alexander M.","Self-assembly generation, structural features, and oxidation catalytic properties of new aqua-soluble copper(ii)-aminoalcohol derivatives","Inorganic Chemistry Frontiers","2017","4","6","968","","10.1039/C6QI00553E","","","0.71069","MoKα","","0.1005","0.0727","","","0.1616","0.1804","","","","","","1.055","","","","has coordinates,has disorder","234950","2020-10-21","18:00:00",""
"4349653","8.6322","0.0019","10.012","0.002","11.287","0.003","69.268","0.013","89.942","0.013","69.912","0.012","848.7","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H25 Cu N5 O8 -","- C11 H25 Cu N5 O8 -","- C22 H50 Cu2 N10 O16 -","2","1","","Kirillova, Marina V.; Santos, Carla I. M.; André, Vânia; Fernandes, Tiago A.; Dias, Sara S. P.; Kirillov, Alexander M.","Self-assembly generation, structural features, and oxidation catalytic properties of new aqua-soluble copper(ii)-aminoalcohol derivatives","Inorganic Chemistry Frontiers","2017","4","6","968","","10.1039/C6QI00553E","","","0.71069","MoKα","","0.0582","0.0432","","","0.1085","0.1158","","","","","","1.038","","","","has coordinates,has disorder","234950","2020-10-21","18:00:00",""
"4349654","15.23","0.007","13.289","0.006","30.036","0.015","90","","90.567","0.007","90","","6079","5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H38 F10 N6 -","- C68 H38 F10 N6 -","- C272 H152 F40 N24 -","4","2","","Das, Sudipta; Bhat, Haamid R.; Balsukuri, Naresh; Jha, Prakash C.; Hisamune, Yutaka; Ishida, Masatosi; Furuta, Hiroyuki; Mori, Shigeki; Gupta, Iti","Donor‒acceptor type A2B2 porphyrins: synthesis, energy transfer, computational and electrochemical studies","Inorganic Chemistry Frontiers","2017","4","4","618","","10.1039/C6QI00558F","","","0.71075","MoKα","","0.1162","0.0972","","","0.2272","0.2422","","","","","","1.074","","","","has coordinates,has disorder","234952","2020-10-21","18:00:00",""
"4349655","38.488","0.003","7.7754","0.0006","17.758","0.0009","90","","93.993","0.006","90","","5301.4","0.6","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 Cl N2 O2 Pd -","- C30 H27 Cl N2 O2 Pd -","- C240 H216 Cl8 N16 O16 Pd8 -","8","1","","Zou, Wenping; Pang, Wenmin; Chen, Changle","Redox control in palladium catalyzed norbornene and alkyne polymerization","Inorganic Chemistry Frontiers","2017","4","5","795","","10.1039/C6QI00562D","","","0.71073","MoKα","","0.0843","0.0492","","","0.1258","0.1667","","","","","","1.08","","","","has coordinates,has disorder","234954","2020-10-21","18:00:00",""
"4349656","11.624","0.014","11.849","0.014","19.35","0.02","102.324","0.011","103.24","0.011","103.489","0.011","2420","5","123","2","123","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H29 Cu F26 N2 O P3 -","- C46 H29 Cu F26 N2 O P3 -","- C92 H58 Cu2 F52 N4 O2 P6 -","2","1","","Washimi, Masaya; Nishikawa, Michihiro; Shimoda, Naohiro; Satokawa, Shigeo; Tsubomura, Taro","Blue and orange oxygen responsive emissions in the solid state based on copper(i) complexes bearing dodecafluorinated diphosphine and 1,10-phenanthroline derivative ligands","Inorganic Chemistry Frontiers","2017","4","4","639","","10.1039/C6QI00577B","","","0.71073","MoKα","","","0.1095","","","","0.3289","","","","","","1.015","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349657","12.502","0.004","18.244","0.005","19.193","0.006","90","0.001","105.068","0.001","90","0.001","4227","2","123","2","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H18 Cu F26 N2 O P3 -","- C41 H18 Cu F26 N2 O P3 -","- C164 H72 Cu4 F104 N8 O4 P12 -","4","1","","Washimi, Masaya; Nishikawa, Michihiro; Shimoda, Naohiro; Satokawa, Shigeo; Tsubomura, Taro","Blue and orange oxygen responsive emissions in the solid state based on copper(i) complexes bearing dodecafluorinated diphosphine and 1,10-phenanthroline derivative ligands","Inorganic Chemistry Frontiers","2017","4","4","639","","10.1039/C6QI00577B","","","0.71073","MoKα","","","0.0645","","","","0.1435","","","","","","1.135","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349658","11.679","0.005","12.12","0.005","16.489","0.007","93.297","0.005","95.906","0.005","99.978","0.006","2279.7","1.7","123","2","123","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H22 Cu F26 N2 O P3 -","- C43 H22 Cu F26 N2 O P3 -","- C86 H44 Cu2 F52 N4 O2 P6 -","2","1","","Washimi, Masaya; Nishikawa, Michihiro; Shimoda, Naohiro; Satokawa, Shigeo; Tsubomura, Taro","Blue and orange oxygen responsive emissions in the solid state based on copper(i) complexes bearing dodecafluorinated diphosphine and 1,10-phenanthroline derivative ligands","Inorganic Chemistry Frontiers","2017","4","4","639","","10.1039/C6QI00577B","","","0.71073","MoKα","","","0.0433","","","","0.1009","","","","","","1.083","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349659","12.522","0.009","18.331","0.012","20.77","0.01","90","","108.75","0.04","90","","4515","5","123","2","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H22 Cu F26 N2 O P3 -","- C43 H22 Cu F26 N2 O P3 -","- C172 H88 Cu4 F104 N8 O4 P12 -","4","1","","Washimi, Masaya; Nishikawa, Michihiro; Shimoda, Naohiro; Satokawa, Shigeo; Tsubomura, Taro","Blue and orange oxygen responsive emissions in the solid state based on copper(i) complexes bearing dodecafluorinated diphosphine and 1,10-phenanthroline derivative ligands","Inorganic Chemistry Frontiers","2017","4","4","639","","10.1039/C6QI00577B","","","0.71073","MoKα","","","0.1016","","","","0.2582","","","","","","1.191","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349660","8.2911","0.0014","8.3667","0.0014","8.3092","0.0014","90","","118.95","0.011","90","","504.38","0.16","405","2","405","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 I N -","- C6 H16 I N -","- C12 H32 I2 N2 -","2","0.5","","Piecha-Bisiorek, A.; Gągor, A.; Isakov, D.; Zieliński, P.; Gałązka, M.; Jakubas, R.","Phase sequence in diisopropylammonium iodide: avoided ferroelectricity by the appearance of a reconstructed phase","Inorganic Chemistry Frontiers","2017","4","3","553","","10.1039/C6QI00583G","","","0.7107","MoKα","","0.1129","0.0551","","","0.1411","0.1548","","","","","","0.808","","","","has coordinates","234958","2020-10-21","18:00:00",""
"4349661","8.3519","0.0001","8.3673","0.0002","14.2217","0.0003","90","","90","","90","","993.85","0.03","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 I N -","- C6 H16 I N -","- C24 H64 I4 N4 -","4","1","","Piecha-Bisiorek, A.; Gągor, A.; Isakov, D.; Zieliński, P.; Gałązka, M.; Jakubas, R.","Phase sequence in diisopropylammonium iodide: avoided ferroelectricity by the appearance of a reconstructed phase","Inorganic Chemistry Frontiers","2017","4","3","553","","10.1039/C6QI00583G","","","0.71073","MoKα","","0.0457","0.0241","","","0.049","0.0534","","","","","","0.932","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349662","41.4734","0.0004","41.4734","0.0004","41.4734","0.0004","90","","90","","90","","71336","1.2","173","2","173","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","HHU-1","HHU-1","","- C45 H27 Cu2 N5 O13 -","- C45 H27 Cu2 N5 O13 -","- C1080 H648 Cu48 N120 O312 -","24","0.25","","Lu, Zhiyong; Zhang, Jianfeng; He, Haiyan; Du, Liting; Hang, Cheng","A mesoporous (3,36)-connected txt-type metal‒organic framework constructed by using a naphthyl-embedded ligand exhibiting high CO2 storage and selectivity","Inorganic Chemistry Frontiers","2017","4","4","736","","10.1039/C6QI00616G","","","0.71073","MoKα","","0.0797","0.0442","","","0.1755","0.1774","","","","","","1.059","","","","has coordinates","234960","2020-10-21","18:00:00",""
"4349663","14.4508","0.0003","8.3986","0.0002","6.8032","0.0001","90","","90","","90","","825.68","0.03","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","Lithium cadmium tin selenide (2/1/1/4)","Lithium cadmium tin selenide (2/1/1/4)","","- Cd Li2 Se4 Sn -","- Cd Li2 Se4 Sn -","- Cd4 Li8 Se16 Sn4 -","4","1","","Zhang, Jian-Han; Clark, Daniel J.; Weiland, Ashley; Stoyko, Stanislav S.; Kim, Yong Soo; Jang, Joon I.; Aitken, Jennifer A.","Li2CdGeSe4and Li2CdSnSe4: biaxial nonlinear optical materials with strong infrared second-order responses and laser-induced damage thresholds influenced by photoluminescence","Inorganic Chemistry Frontiers","2017","4","9","1472","","10.1039/C7QI00004A","","","0.71073","MoKα","","0.0437","0.0384","","","0.0977","0.1023","","","","","","1.163","","","","has coordinates","235726","2020-10-21","18:00:00",""
"4349664","11.264","0.005","16.103","0.008","16.181","0.01","90","","110.13","0.03","90","","2756","3","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H39 I N4 -","- C28 H39 I N4 -","- C112 H156 I4 N16 -","4","1","","Zhang, Jian-Han; Clark, Daniel J.; Weiland, Ashley; Stoyko, Stanislav S.; Kim, Yong Soo; Jang, Joon I.; Aitken, Jennifer A.","Li2CdGeSe4and Li2CdSnSe4: biaxial nonlinear optical materials with strong infrared second-order responses and laser-induced damage thresholds influenced by photoluminescence","Inorganic Chemistry Frontiers","2017","4","9","1472","","10.1039/C7QI00004A","","","0.71073","MoKα","","0.1602","0.0684","","","0.14","0.1811","","","","","","0.944","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349665","8.38","0.007","21.58","0.02","11.072","0.01","90","","109.14","0.04","90","","1892","3","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","NQHG2 (2)","NQHG2","","- C43 H46 Cl2 N2 O4 Ru -","- C43 H46 Cl2 N2 O4 Ru -","- C86 H92 Cl4 N4 O8 Ru2 -","2","1","","Lastovickova, Dominika N.; Teator, Aaron J.; Shao, Huiling; Liu, Peng; Bielawski, Christopher W.","A redox-switchable ring-closing metathesis catalyst","Inorganic Chemistry Frontiers","2017","4","9","1525","","10.1039/C7QI00018A","","","1.54187","CuKα","","0.0522","0.0381","","","0.0812","0.0885","","","","","","1.039","","","","has coordinates","235728","2020-10-21","18:00:00",""
"4349666","34.9964","0.0017","14.5543","0.0006","23.6151","0.0008","90","","126.024","0.003","90","","9728.1","0.8","180.01","0.1","180.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H150 Mn Mo6 N5 O28 -","- C77 H134.994 Mn Mo6 N5 O28 -","- C308 H539.976 Mn4 Mo24 N20 O112 -","4","0.5","","Lin, Chang-Gen; Fura, Gizaw D.; Long, Yong; Xuan, Weimin; Song, Yu-Fei","Polyoxometalate-based supramolecular hydrogels constructed through host‒guest interactions","Inorganic Chemistry Frontiers","2017","4","5","789","","10.1039/C7QI00030H","","","1.54178","CuKα","","0.1453","0.1142","","","0.2961","0.3255","","","","","","1.067","","","","has coordinates,has disorder","235730","2020-10-21","18:00:00",""
"4349667","15.1362","0.0016","16.0996","0.0018","16.6069","0.0017","77.23","0.01","70.272","0.009","76.776","0.01","3662.4","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C155 H119.5 N14.5 O16 S6 Y4 -","- C155 H119.5 N14.5 O16 S6 Y4 -","- C155 H119.5 N14.5 O16 S6 Y4 -","1","0.5","","Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands","Inorganic Chemistry Frontiers","2017","4","5","860","","10.1039/C7QI00034K","","","0.71073","MoKα","","0.1321","0.0729","","","0.1905","0.2161","","","","","","0.983","","","","has coordinates,has disorder","235732","2020-10-21","18:00:00",""
"4349668","15.1453","0.0008","16.0375","0.0008","16.7228","0.0009","77.599","0.004","70.546","0.003","76.892","0.004","3687","0.3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C160.5 H128 Cl Gd4 N17 O16 S6 -","- C160.5 H128 Cl Gd4 N17 O16 S6 -","- C160.5 H128 Cl Gd4 N17 O16 S6 -","1","0.5","","Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands","Inorganic Chemistry Frontiers","2017","4","5","860","","10.1039/C7QI00034K","","","0.71073","MoKα","","0.0401","0.0319","","","0.0851","0.0892","","","","","","1.047","","","","has coordinates,has disorder","235732","2020-10-21","18:00:00",""
"4349669","15.146","0.0006","16.0882","0.0007","16.6268","0.0007","77.531","0.004","70.69","0.003","76.874","0.004","3679.7","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C158 H124 N16 O16 S6 Tb4 -","- C158 H124 N16 O16 S6 Tb4 -","- C158 H124 N16 O16 S6 Tb4 -","1","0.5","","Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands","Inorganic Chemistry Frontiers","2017","4","5","860","","10.1039/C7QI00034K","","","0.71073","MoKα","","0.0307","0.0255","","","0.067","0.0717","","","","","","1.06","","","","has coordinates,has disorder","301840","2025-08-20","23:45:04",""
"4349670","15.1839","0.0013","15.9371","0.0016","16.47","0.0015","77.765","0.007","70.679","0.006","77.021","0.007","3623.7","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C156 H121 Dy4 N15 O16 S6 -","- C156 H121 Dy4 N15 O16 S6 -","- C156 H121 Dy4 N15 O16 S6 -","1","0.5","","Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands","Inorganic Chemistry Frontiers","2017","4","5","860","","10.1039/C7QI00034K","","","0.71073","MoKα","","0.0655","0.0535","","","0.1511","0.1644","","","","","","1.056","","","","has coordinates,has disorder","235732","2020-10-21","18:00:00",""
"4349671","15.1618","0.0009","16.1596","0.0009","16.5171","0.0011","77.286","0.006","70.591","0.005","76.91","0.006","3671.2","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C158 H124 Ho4 N16 O16 S6 -","- C158 H124 Ho4 N16 O16 S6 -","- C158 H124 Ho4 N16 O16 S6 -","1","0.5","","Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands","Inorganic Chemistry Frontiers","2017","4","5","860","","10.1039/C7QI00034K","","","0.71073","MoKα","","0.0509","0.0395","","","0.104","0.1112","","","","","","1.037","","","","has coordinates,has disorder","301840","2025-08-20","23:45:04",""
"4349672","15.1438","0.0011","16.2441","0.0015","16.6165","0.0013","77.179","0.007","70.291","0.007","76.535","0.007","3696.2","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C154 H118 Er4 N14 O16 S6 -","- C154 H118 Er4 N14 O16 S6 -","- C154 H118 Er4 N14 O16 S6 -","1","0.5","","Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands","Inorganic Chemistry Frontiers","2017","4","5","860","","10.1039/C7QI00034K","","","0.71073","MoKα","","0.0826","0.0493","","","0.1334","0.1494","","","","","","0.975","","","","has coordinates,has disorder","235732","2020-10-21","18:00:00",""
"4349673","12.516","0.002","14.781","0.003","31.602","0.005","90","","98.855","0.003","90","","5776.7","1.8","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H102 Gd4 N14 O16 S6 -","- C114 H98 Gd4 N14 O16 S6 -","- C228 H196 Gd8 N28 O32 S12 -","2","0.5","","Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands","Inorganic Chemistry Frontiers","2017","4","5","860","","10.1039/C7QI00034K","","","0.71073","MoKα","","0.096","0.0785","","","0.1984","0.2108","","","","","","1.031","","","","has coordinates,has disorder","235732","2020-10-21","18:00:00",""
"4349674","15.1083","0.0007","16.1672","0.0008","16.4663","0.0007","77.796","0.005","70.784","0.004","76.826","0.005","3657.1","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C158 H124 Lu4 N16 O16 S6 -","- C158 H124 Lu4 N16 O16 S6 -","- C158 H124 Lu4 N16 O16 S6 -","1","0.5","","Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands","Inorganic Chemistry Frontiers","2017","4","5","860","","10.1039/C7QI00034K","","","0.71073","MoKα","","0.0305","0.0259","","","0.0683","0.07","","","","","","1.04","","","","has coordinates,has disorder","301840","2025-08-20","23:45:04",""
"4349675","12.5319","0.0007","14.8876","0.0007","31.5246","0.0017","90","","98.372","0.001","90","","5818.9","0.5","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C117 H100 N15.5 O16 S6 Tb4 -","- C116.944 H90 N15.472 O16 S6 Tb4 -","- C233.888 H180 N30.944 O32 S12 Tb8 -","2","0.5","","Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands","Inorganic Chemistry Frontiers","2017","4","5","860","","10.1039/C7QI00034K","","","0.71073","MoKα","","0.0367","0.0315","","","0.0825","0.0861","","","","","","1.037","","","","has coordinates,has disorder","235732","2020-10-21","18:00:00",""
"4349676","12.4701","0.0018","14.82","0.002","31.502","0.005","90","","98.786","0.002","90","","5753.5","1.5","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C118 H108 Dy4 N16 O16 S6 -","- C118 H108 Dy4 N16 O16 S6 -","- C236 H216 Dy8 N32 O32 S12 -","2","0.5","","Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong","Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands","Inorganic Chemistry Frontiers","2017","4","5","860","","10.1039/C7QI00034K","","","0.71073","MoKα","","0.0864","0.0762","","","0.2103","0.2178","","","","","","1.106","","","","has coordinates","235732","2020-10-21","18:00:00",""
"4349677","18.6153","0.0007","18.6153","0.0007","38.375","0.0013","90","","90","","120","","11516.5","0.7","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C22 H15 Cu2 N O10 -","- C22 H11 Cu2 N O10 -","- C198 H99 Cu18 N9 O90 -","9","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Xia; He, Yabing","A comparative study of the effect of functional groups on C2H2 adsorption in NbO-type metal‒organic frameworks","Inorganic Chemistry Frontiers","2017","4","6","960","","10.1039/C7QI00063D","","","1.54184","CuKα","","0.0538","0.0501","","","0.1762","0.1806","","","","","","1.13","","","","has coordinates,has disorder","235734","2020-10-21","18:00:00",""
"4349678","18.555","0.003","18.555","0.003","38.688","0.006","90","","90","","120","","11535","3","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C22 H13 Cu2 N O12 -","- C22 H6 Cu2 N O12 -","- C198 H54 Cu18 N9 O108 -","9","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Xia; He, Yabing","A comparative study of the effect of functional groups on C2H2 adsorption in NbO-type metal‒organic frameworks","Inorganic Chemistry Frontiers","2017","4","6","960","","10.1039/C7QI00063D","","","0.71069","MoKα","","0.0997","0.0631","","","0.158","0.1759","","","","","","1.073","","","","has coordinates,has disorder","235734","2020-10-21","18:00:00",""
"4349679","18.5503","0.0006","18.5503","0.0006","38.8068","0.0012","90","","90","","120","","11564.9","0.6","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C23 H13 Cu2 F3 O10 -","- C23 H9 Cu2 F3 O10 -","- C207 H81 Cu18 F27 O90 -","9","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Xia; He, Yabing","A comparative study of the effect of functional groups on C2H2 adsorption in NbO-type metal‒organic frameworks","Inorganic Chemistry Frontiers","2017","4","6","960","","10.1039/C7QI00063D","","","0.71073","MoKα","","0.072","0.0557","","","0.1476","0.1604","","","","","","1.204","","","","has coordinates,has disorder","235734","2020-10-21","18:00:00",""
"4349680","18.7065","0.0019","18.7065","0.0019","38.488","0.003","90","","90","","120","","11663.8","1.9","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C22 H13 Cu2 F O10 -","- C22 H9 Cu2 F O10 -","- C198 H81 Cu18 F9 O90 -","9","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Xia; He, Yabing","A comparative study of the effect of functional groups on C2H2 adsorption in NbO-type metal‒organic frameworks","Inorganic Chemistry Frontiers","2017","4","6","960","","10.1039/C7QI00063D","","","0.71073","MoKα","","0.0814","0.0528","","","0.1506","0.1564","","","","","","1.152","","","","has coordinates,has disorder","235734","2020-10-21","18:00:00",""
"4349681","18.6166","0.0007","18.6166","0.0007","38.6451","0.0014","90","","90","","120","","11599.1","0.7","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C23 H16 Cu2 O10 -","- C23 H12 Cu2 O10 -","- C207 H108 Cu18 O90 -","9","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Xia; He, Yabing","A comparative study of the effect of functional groups on C2H2 adsorption in NbO-type metal‒organic frameworks","Inorganic Chemistry Frontiers","2017","4","6","960","","10.1039/C7QI00063D","","","0.71073","MoKα","","0.0832","0.0577","","","0.1814","0.1926","","","","","","1.09","","","","has coordinates,has disorder","235734","2020-10-21","18:00:00",""
"4349682","32.872","0.006","20.387","0.003","13.895","0.002","90","","113.722","0.002","90","","8525","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H66 Cd3 Cl6 N6 O6 -","- C102 H66 Cd3 Cl6 N6 O6 -","- C408 H264 Cd12 Cl24 N24 O24 -","4","0.5","","Yuan, Guozan; Zhang, Qi; Wang, Zhiping; Song, Kai; Yuan, Xiaomei; Wang, Yangzhi; Zhang, Liyan","Assembly of four 8-quinolinate-based multinuclear complexes: the effect of substituents on core structures and photoluminescence properties","Inorganic Chemistry Frontiers","2017","4","5","764","","10.1039/C7QI00082K","","","0.71073","MoKα","","0.0629","0.0408","","","0.1197","0.1375","","","","","","1.034","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349683","13.5778","0.0011","24.0609","0.0019","16.4926","0.0013","90","","91.213","0.002","90","","5386.8","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C116 H80 Br2 Cd4 N14 O22 -","- C116 H80 Br2 Cd4 N14 O22 -","- C232 H160 Br4 Cd8 N28 O44 -","2","0.5","","Yuan, Guozan; Zhang, Qi; Wang, Zhiping; Song, Kai; Yuan, Xiaomei; Wang, Yangzhi; Zhang, Liyan","Assembly of four 8-quinolinate-based multinuclear complexes: the effect of substituents on core structures and photoluminescence properties","Inorganic Chemistry Frontiers","2017","4","5","764","","10.1039/C7QI00082K","","","0.71073","MoKα","","0.0892","0.046","","","0.1117","0.1339","","","","","","0.99","","","","has coordinates","235738","2020-10-21","18:00:00",""
"4349684","15.217","0.003","23.666","0.005","13.238","0.003","90","","93.215","0.003","90","","4759.8","1.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C108 H84 Br2 Cd4 N6 O12 -","- C108 H84 Br2 Cd4 N6 O12 -","- C216 H168 Br4 Cd8 N12 O24 -","2","0.5","","Yuan, Guozan; Zhang, Qi; Wang, Zhiping; Song, Kai; Yuan, Xiaomei; Wang, Yangzhi; Zhang, Liyan","Assembly of four 8-quinolinate-based multinuclear complexes: the effect of substituents on core structures and photoluminescence properties","Inorganic Chemistry Frontiers","2017","4","5","764","","10.1039/C7QI00082K","","","0.71073","MoKα","","0.1344","0.0508","","","0.0886","0.1156","","","","","","0.997","","","","has coordinates","235738","2020-10-21","18:00:00",""
"4349685","11.6754","0.0018","7.8687","0.0012","24.283","0.004","90","","93.351","0.002","90","","2227.1","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 Cd2 I2 N2 O4 S2 -","- C46 H40 Cd2 I2 N2 O4 S2 -","- C92 H80 Cd4 I4 N4 O8 S4 -","2","0.5","","Yuan, Guozan; Zhang, Qi; Wang, Zhiping; Song, Kai; Yuan, Xiaomei; Wang, Yangzhi; Zhang, Liyan","Assembly of four 8-quinolinate-based multinuclear complexes: the effect of substituents on core structures and photoluminescence properties","Inorganic Chemistry Frontiers","2017","4","5","764","","10.1039/C7QI00082K","","","0.71073","MoKα","","0.061","0.0409","","","0.1037","0.1196","","","","","","1.028","","","","has coordinates","235738","2020-10-21","18:00:00",""
"4349686","15.0782","0.0004","29.1333","0.0006","22.2449","0.0007","90","","106.817","0.003","90","","9353.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H113 Er2 Ga4 N5 O26 -","- C90 H113 Er2 Ga4 N5 O26 -","- C360 H452 Er8 Ga16 N20 O104 -","4","1","","Chen, Sihuai; Mereacre, Valeriu; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Systematic studies of hexanuclear {MIII4LnIII2} complexes (M = Fe, Ga; Ln = Er, Ho): structures, magnetic properties and SMM behavior","Inorganic Chemistry Frontiers","2017","4","6","927","","10.1039/C7QI00091J","","","0.71073","MoKα","","0.0452","0.0318","","","0.0622","0.0673","","","","","","1.037","","","","has coordinates,has disorder","235741","2020-10-21","18:00:00",""
"4349687","15.221","0.004","29.282","0.005","22.42","0.005","90","","108","0.03","90","","9504","4","243","2","243","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H113 Fe4 Ho2 N5 O26 -","- C90 H113 Fe4 Ho2 N5 O26 -","- C360 H452 Fe16 Ho8 N20 O104 -","4","1","","Chen, Sihuai; Mereacre, Valeriu; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Systematic studies of hexanuclear {MIII4LnIII2} complexes (M = Fe, Ga; Ln = Er, Ho): structures, magnetic properties and SMM behavior","Inorganic Chemistry Frontiers","2017","4","6","927","","10.1039/C7QI00091J","","","0.71073","MoKα","","0.0717","0.0441","","","0.1038","0.1153","","","","","","0.953","","","","has coordinates,has disorder","235741","2020-10-21","18:00:00",""
"4349688","22.814","0.005","10.271","0.002","14.863","0.003","90","","90","","90","","3482.7","1.2","200","2","200","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C39 H40 Fe N O4 P Pd S -","- C39 H40 Fe N O4 P Pd S -","- C156 H160 Fe4 N4 O16 P4 Pd4 S4 -","4","1","","Feyrer, Alexander; Breher, Frank","Palladium complexes of ferrocene-based phosphine ligands as redox-switchable catalysts in Buchwald‒Hartwig cross-coupling reactions","Inorganic Chemistry Frontiers","2017","4","7","1125","","10.1039/C7QI00125H","","","0.71073","MoKα","","0.0601","0.0448","","","0.0883","0.1028","","","","","","1.114","","","","has coordinates","235743","2020-10-21","18:00:00",""
"4349689","13.449","0.003","14.178","0.003","16.696","0.003","90","","111.35","0.03","90","","2965.1","1.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cl Fe P Pd -","- C34 H40 Cl Fe P Pd -","- C136 H160 Cl4 Fe4 P4 Pd4 -","4","1","","Feyrer, Alexander; Breher, Frank","Palladium complexes of ferrocene-based phosphine ligands as redox-switchable catalysts in Buchwald‒Hartwig cross-coupling reactions","Inorganic Chemistry Frontiers","2017","4","7","1125","","10.1039/C7QI00125H","","","0.71073","MoKα","","0.074","0.0529","","","0.1345","0.1587","","","","","","1.054","","","","has coordinates","235743","2020-10-21","18:00:00",""
"4349690","21.1055","0.0003","7.2526","0.0001","17.4808","0.0003","90","","90","","90","","2675.78","0.07","150","2","150","0.5","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H18 Cl N W -","- C11 H18 Cl N W -","- C88 H144 Cl8 N8 W8 -","8","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","x-ray","1.54184","CuKα","","0.0461","0.0431","","","0.1187","0.122","","","","","","1.1","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349691","6.0476","0.0003","7.3129","0.0003","14.2223","0.0006","90","","97.885","0.004","90","","623.04","0.05","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H16 Cl N O W -","- C10 H16 Cl N O W -","- C20 H32 Cl2 N2 O2 W2 -","2","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","","1.54184","CuKα","","0.0398","0.039","","","0.1078","0.1084","","","","","","1.097","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349692","7.3092","0.0001","7.5096","0.0001","11.8873","0.0002","90.124","0.001","95.77","0.001","118.542","0.001","569.34","0.016","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H12 Cl F2 N W -","- C9 H12 Cl F2 N W -","- C18 H24 Cl2 F4 N2 W2 -","2","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","x-ray","0.71073","Mokα","","0.0339","0.0309","","","0.078","0.08","","","","","","1.044","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349693","7.9869","0.0002","8.7291","0.0002","12.9648","0.0004","85.609","0.001","89.995","0.001","64.329","0.001","811.73","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 Cl4 N O W -","- C12 H17 Cl4 N O W -","- C24 H34 Cl8 N2 O2 W2 -","2","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","","0.71073","MoKα","","0.0577","0.0387","","","0.0791","0.0865","","","","","","1.006","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349694","13.2115","0.0002","8.0822","0.0001","15.7475","0.0002","90","","109.109","0.001","90","","1588.83","0.04","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 Cl4 N O2 W -","- C11 H15 Cl4 N O2 W -","- C44 H60 Cl16 N4 O8 W4 -","4","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","","0.71073","MoKα","","0.0355","0.0289","","","0.0719","0.0754","","","","","","1.098","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349695","8.6354","0.0001","9.6261","0.0002","10.9204","0.0002","101.47","0.001","95.24","0.001","107.534","0.001","837.12","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 Cl4 N O W -","- C12 H17 Cl4 N O W -","- C24 H34 Cl8 N2 O2 W2 -","2","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","","0.71073","MoKα","","0.0333","0.0283","","","0.0626","0.0647","","","","","","1.126","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349696","6.3636","0.0002","7.2907","0.0002","11.9698","0.0003","90","","93.495","0.002","90","","554.31","0.03","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H14 Cl N W -","- C9 H14 Cl N W -","- C18 H28 Cl2 N2 W2 -","2","0.5","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","","0.71073","MoKα","","0.0448","0.0375","","","0.0913","0.0944","","","","","","1.034","","","","has coordinates,has disorder","235747","2020-10-21","18:00:00",""
"4349697","8.9918","0.0001","10.3714","0.0001","10.972","0.0001","63.427","0.001","86.047","0.001","89.359","0.001","912.735","0.018","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H11 Cl4 F6 N O W -","- C12 H11 Cl4 F6 N O W -","- C24 H22 Cl8 F12 N2 O2 W2 -","2","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","","0.71073","MoKα","","0.0261","0.0239","","","0.0565","0.0576","","","","","","1.1","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349698","10.481","0.0002","10.8951","0.0003","12.1474","0.0003","90","","110.473","0.001","90","","1299.52","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 Cl N W -","- C11 H18 Cl N W -","- C44 H72 Cl4 N4 W4 -","4","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","","0.71073","MoKα","","0.0413","0.032","","","0.0752","0.0794","","","","","","1.059","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349699","8.1651","0.0002","9.4012","0.0003","9.9731","0.0003","87.462","0.002","86.122","0.002","79.773","0.002","751.26","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H11 Cl4 F2 N O W -","- C10 H11 Cl4 F2 N O W -","- C20 H22 Cl8 F4 N2 O2 W2 -","2","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","x-ray","0.71073","MoKα","","0.0167","0.0156","","","0.0379","0.0385","","","","","","1.003","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349700","14.7317","0.0003","7.1889","0.0001","13.9923","0.0003","90","","102.12","0.001","90","","1448.82","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Cl4 N O W -","- C10 H13 Cl4 N O W -","- C40 H52 Cl16 N4 O4 W4 -","4","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","","0.71073","MoKα","","0.0402","0.0308","","","0.0708","0.0744","","","","","","1.085","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349701","7.8367","0.0001","8.769","0.0002","14.2277","0.0003","78.94","0.001","89.844","0.001","63.883","0.001","857.88","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H19 Cl4 N O W -","- C13 H19 Cl4 N O W -","- C26 H38 Cl8 N2 O2 W2 -","2","1","","Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot","Selective ethylene oligomerisation using supported tungsten mono-imido catalysts","Inorganic Chemistry Frontiers","2017","4","6","1048","","10.1039/C7QI00128B","","","0.71073","MoKα","","0.0331","0.0281","","","0.0657","0.0679","","","","","","1.077","","","","has coordinates","235747","2020-10-21","18:00:00",""
"4349702","12.2547","0.0004","22.7069","0.0007","19.3859","0.0007","90","","101.927","0.001","90","","5278","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Na(THF)3][Co(OAr)3]","","- C54 H87 Co Na O6 -","- C54 H87 Co Na O6 -","- C216 H348 Co4 Na4 O24 -","4","1","","Deng, Yi-Fei; Han, Tian; Yin, Bing; Zheng, Yan-Zhen","On balancing the QTM and the direct relaxation processes in single-ion magnets – the importance of symmetry control","Inorganic Chemistry Frontiers","2017","4","7","1141","","10.1039/C7QI00135E","","","0.71073","MoKα","","0.0479","0.0392","","","0.1001","0.1065","","","","","","1.02","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349703","11.5618","0.0011","15.3114","0.0018","10.1474","0.0014","90","","124.673","0.003","90","","1477.4","0.3","298","2","298.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H8 Au Fe N7 -","- C14 H8 Au Fe N7 -","- C56 H32 Au4 Fe4 N28 -","4","0.5","","Yan, Zheng; Zhu, Long-Feng; Zhu, Lian-Wen; Meng, Yan; Hoque, Md. Najbul; Liu, Jun-Liang; Chen, Yan-Cong; Ni, Zhao-Ping; Tong, Ming-Liang","A ladder-type iron(ii) coordination polymer with enhanced spin-crossover behavior","Inorganic Chemistry Frontiers","2017","4","6","921","","10.1039/C7QI00180K","","","0.71073","MoKα","","0.0553","0.0475","","","0.1173","0.1197","","","","","","0.9903","","","","has coordinates","235752","2020-10-21","18:00:00",""
"4349704","11.604","0.002","15.736","0.002","10.479","0.003","90","","123.337","0.007","90","","1598.6","0.6","373","2","373","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H8 Au Fe N7 -","- C14 H8 Au Fe N7 -","- C56 H32 Au4 Fe4 N28 -","4","0.5","","Yan, Zheng; Zhu, Long-Feng; Zhu, Lian-Wen; Meng, Yan; Hoque, Md. Najbul; Liu, Jun-Liang; Chen, Yan-Cong; Ni, Zhao-Ping; Tong, Ming-Liang","A ladder-type iron(ii) coordination polymer with enhanced spin-crossover behavior","Inorganic Chemistry Frontiers","2017","4","6","921","","10.1039/C7QI00180K","","","0.71073","MoKα","","0.0734","0.0422","","","0.0906","0.1153","","","","","","1.057","","","","has coordinates","235752","2020-10-21","18:00:00",""
"4349705","4.9516","0.0013","9.48","0.002","11.95","0.003","105.358","0.013","101.862","0.014","104.252","0.014","501.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- B4 Li6 O12 Zn3 -","- B4 Li6 O12 Zn3 -","- B8 Li12 O24 Zn6 -","2","1","","Chen, Yanna; An, Donghai; Zhang, Min; Hu, Cong; Mutailipu, Miriding; Yang, Zhihua; Lu, Xiaoquan; Pan, Shilie","Li6Zn3(BO3)4: a new zincoborate featuring vertex-, edge- and face-sharing LiO4tetrahedra and exhibiting reversible phase transitions","Inorganic Chemistry Frontiers","2017","4","7","1100","","10.1039/C7QI00183E","","","0.71073","MoKα","","0.0679","0.0463","","","0.1033","0.112","","","","","","1.046","","","","has coordinates","235753","2020-10-21","18:00:00",""
"4349706","11.9496","0.0006","14.1528","0.0007","16.1651","0.0009","105.71","0.005","94.36","0.004","90.901","0.004","2622.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H74 Gd N19 O24 P4 -","- C21 H50 Gd N19 O24 P4 -","- C42 H100 Gd2 N38 O48 P8 -","2","1","","Janicki, Rafał; Gałęzowska, Joanna; Mondry, Anna","Stoichiometry of lanthanide(iii) complexes with tripodal aminophosphonic ligands ‒ a new solution to an old problem","Inorganic Chemistry Frontiers","2017","4","7","1200","","10.1039/C7QI00191F","","","0.7107","MoKα","","0.188","0.1014","","","0.1484","0.1839","","","","","","1.05","","","","has coordinates","235754","2020-10-21","18:00:00",""
"4349707","11.9255","0.0011","14.1373","0.0012","16.1417","0.0015","105.889","0.008","94.515","0.007","90.629","0.007","2607.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H74 Eu N19 O24 P4 -","- C21 H50 Eu N19 O24 P4 -","- C42 H100 Eu2 N38 O48 P8 -","2","1","","Janicki, Rafał; Gałęzowska, Joanna; Mondry, Anna","Stoichiometry of lanthanide(iii) complexes with tripodal aminophosphonic ligands ‒ a new solution to an old problem","Inorganic Chemistry Frontiers","2017","4","7","1200","","10.1039/C7QI00191F","","","0.7107","MoKα","","0.0886","0.061","","","0.1341","0.1465","","","","","","1.153","","","","has coordinates","235754","2020-10-21","18:00:00",""
"4349708","12.8005","0.0004","35.9582","0.0013","14.4617","0.0004","90","","100.651","0.003","90","","6541.8","0.4","103","0","103","0","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H102 Cr Mo6 N3 O26 -","- C44 H100 Cr Mo6 N3 O26 -","- C176 H400 Cr4 Mo24 N12 O104 -","4","1","","Zhang, Jiangwei; Huang, Yichao; Hao, Jian; Wei, Yongge","β-{Cr[RC(CH2O)3]2Mo6O18}3−: the first organically-functionalized β isomer of Anderson-type polyoxometalates","Inorganic Chemistry Frontiers","2017","4","7","1215","","10.1039/C7QI00199A","","","0.7107","MoKα","","0.0606","0.0585","","","0.1084","0.1095","","","","","","1.126","","","","has coordinates","235756","2020-10-21","18:00:00",""
"4349709","26.997","0.003","17.922","0.002","16.364","0.002","90","","109.86","0.014","90","","7446.7","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H22 Cr Mo6 N3 O24 -","- C8 H22 Cr Mo6 N3 O24 -","- C64 H176 Cr8 Mo48 N24 O192 -","8","1","","Zhang, Jiangwei; Huang, Yichao; Hao, Jian; Wei, Yongge","β-{Cr[RC(CH2O)3]2Mo6O18}3−: the first organically-functionalized β isomer of Anderson-type polyoxometalates","Inorganic Chemistry Frontiers","2017","4","7","1215","","10.1039/C7QI00199A","","","0.71073","MoKα","","0.0547","0.0434","","","0.0882","0.0987","","","","","","1.083","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349710","14.4831","0.0014","14.7999","0.0015","27.189","0.003","95.424","0.002","93.193","0.002","109.314","0.002","5451.8","1","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H112 Au K3 N8 O18 Pb12 -","- C62 H110 Au K3 N8 O18 Pb12 -","- C124 H220 Au2 K6 N16 O36 Pb24 -","2","1","","Li, Lei-Jiao; Pan, Fu-Xing; Li, Feng-Yu; Chen, Zhong-Fang; Sun, Zhong-Ming","Synthesis, characterization and electronic properties of an endohedral plumbaspherene [Au@Pb12]3−","Inorganic Chemistry Frontiers","2017","4","8","1393","","10.1039/C7QI00209B","","","0.71073","MoKα","","0.1447","0.0677","","","0.1715","0.2043","","","","","","0.964","","","","has coordinates,has disorder","235758","2020-10-21","18:00:00",""
"4349711","4.5669","0.0003","27.9366","0.0016","13.3819","0.0008","90","","90","","90","","1707.31","0.18","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ag6 Ba6 In2 Te12 -","- Ag6 Ba6 In2 Te12 -","- Ag12 Ba12 In4 Te24 -","2","0.25","","Lee, M.-Y.; Bilc, D. I.; Symeou, E.; Lin, Y.-C.; Liang, I.-C.; Kyratsi, T.; Hsu, K.-F.","Synthesis, crystal structure and thermoelectric properties of a new metal telluride Ba3Ag3InTe6","Inorganic Chemistry Frontiers","2017","4","9","1458","","10.1039/C7QI00210F","","","0.71073","MoKα","","0.0185","0.018","","","0.0362","0.0364","","","","","","1.044","","","","has coordinates","235760","2020-10-21","18:00:00",""
"4349712","17.908","0.002","17.908","0.002","10.94","0.0009","90","","90","","120","","3038.4","0.5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H37 Cd6 O30.5 -","- C24 H24 Cd6 O30.5 -","- C72 H72 Cd18 O91.5 -","3","0.166667","","Déniz, Mariadel; Pasán, Jorge; Rasines, Beatriz; Lorenzo-Luis, Pablo; Lahoz, Fernando; Vera-Gonzales, Corina; Julve, Miguel; Ruiz-Pérez, Catalina","Cadmium(ii) coordination polymers based on substituted malonic acid: synthesis, characterization and photoluminescence properties","Inorganic Chemistry Frontiers","2017","4","8","1384","","10.1039/C7QI00212B","","","0.71073","MoKα","","0.0382","0.036","","","0.0729","0.0735","","","","","","1.338","","","","has coordinates","235762","2020-10-21","18:00:00",""
"4349713","9.253","0.0019","7.874","0.0016","25.531","0.005","90","","90","","90","","1860.1","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[Cd(Etmal)(H2O)]n","","","- C14 H24 Cd2 O10 -","- C14 H20 Cd2 O10 -","- C56 H80 Cd8 O40 -","4","0.5","","Déniz, Mariadel; Pasán, Jorge; Rasines, Beatriz; Lorenzo-Luis, Pablo; Lahoz, Fernando; Vera-Gonzales, Corina; Julve, Miguel; Ruiz-Pérez, Catalina","Cadmium(ii) coordination polymers based on substituted malonic acid: synthesis, characterization and photoluminescence properties","Inorganic Chemistry Frontiers","2017","4","8","1384","","10.1039/C7QI00212B","","","0.738","","","0.0409","0.0401","","","0.1091","0.11","","","","","","1.088","","","","has coordinates","235762","2020-10-21","18:00:00",""
"4349714","10.52","0.002","9.265","0.0019","7.896","0.0016","90","","104.74","0.03","90","","744.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 Cd O5 -","- C5 H8 Cd O5 -","- C20 H32 Cd4 O20 -","4","1","","Déniz, Mariadel; Pasán, Jorge; Rasines, Beatriz; Lorenzo-Luis, Pablo; Lahoz, Fernando; Vera-Gonzales, Corina; Julve, Miguel; Ruiz-Pérez, Catalina","Cadmium(ii) coordination polymers based on substituted malonic acid: synthesis, characterization and photoluminescence properties","Inorganic Chemistry Frontiers","2017","4","8","1384","","10.1039/C7QI00212B","","","0.738","","","0.0447","0.0444","","","0.1239","0.1243","","","","","","1.103","","","","has coordinates","235762","2020-10-21","18:00:00",""
"4349715","9.3966","0.0001","7.8853","0.0001","29.851","0.0004","90","","90","","90","","2211.81","0.05","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Cd O5 -","- C10 H10 Cd O5 -","- C80 H80 Cd8 O40 -","8","1","","Déniz, Mariadel; Pasán, Jorge; Rasines, Beatriz; Lorenzo-Luis, Pablo; Lahoz, Fernando; Vera-Gonzales, Corina; Julve, Miguel; Ruiz-Pérez, Catalina","Cadmium(ii) coordination polymers based on substituted malonic acid: synthesis, characterization and photoluminescence properties","Inorganic Chemistry Frontiers","2017","4","8","1384","","10.1039/C7QI00212B","","x-ray","0.71073","MoKα","","0.0426","0.0363","","","0.0616","0.0633","","","","","","1.393","","","","has coordinates","235762","2020-10-21","18:00:00",""
"4349716","15.248","0.003","15.248","0.003","8.6679","0.0017","90","","90","","90","","2015.3","0.7","298","2","298","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C12 H11 Cd Cl2 Co N10 -","- C12 H11 Cd Cl2 Co N10 -","- C48 H44 Cd4 Cl8 Co4 N40 -","4","0.25","","Liu, Yu-Ling; Zhang, Wen","Cation-templated cyanometallate-based supramolecular rectangular cage compounds showing dielectric transitions","Inorganic Chemistry Frontiers","2017","4","8","1304","","10.1039/C7QI00218A","","","0.71073","MoKα","","0.0783","0.0657","","","0.1667","0.1752","","","","","","1.09","","","","has coordinates","235765","2020-10-21","18:00:00",""
"4349717","15.325","0.002","15.325","0.002","8.6357","0.0017","90","","90","","90","","2028.1","0.5","298","2","298","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C12 H11 Cd Cl2 Co N10 -","- C12 H11 Cd Cl2 Co N10 -","- C48 H44 Cd4 Cl8 Co4 N40 -","4","0.25","","Liu, Yu-Ling; Zhang, Wen","Cation-templated cyanometallate-based supramolecular rectangular cage compounds showing dielectric transitions","Inorganic Chemistry Frontiers","2017","4","8","1304","","10.1039/C7QI00218A","","","0.71073","MoKα","","0.0561","0.0517","","","0.1617","0.1665","","","","","","1.122","","","","has coordinates","235765","2020-10-21","18:00:00",""
"4349718","15.2436","0.0016","15.2436","0.0016","8.65","0.003","90","","90","","90","","2010","0.8","113","2","113","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C12 H11 Cd Cl2 Co N10 -","- C12 H11 Cd Cl2 Co N10 -","- C48 H44 Cd4 Cl8 Co4 N40 -","4","0.25","","Liu, Yu-Ling; Zhang, Wen","Cation-templated cyanometallate-based supramolecular rectangular cage compounds showing dielectric transitions","Inorganic Chemistry Frontiers","2017","4","8","1304","","10.1039/C7QI00218A","","","0.71073","MoKα","","0.0744","0.0651","","","0.1825","0.2036","","","","","","1.159","","","","has coordinates","235765","2020-10-21","18:00:00",""
"4349719","15.186","0.007","15.186","0.007","8.659","0.006","90","","90","","90","","1996.9","1.9","113","2","113","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C12 H11 Cd Cl2 Co N10 -","- C12 H11 Cd Cl2 Co N10 -","- C48 H44 Cd4 Cl8 Co4 N40 -","4","0.25","","Liu, Yu-Ling; Zhang, Wen","Cation-templated cyanometallate-based supramolecular rectangular cage compounds showing dielectric transitions","Inorganic Chemistry Frontiers","2017","4","8","1304","","10.1039/C7QI00218A","","","0.71073","MoKα","","0.0737","0.0666","","","0.1842","0.2042","","","","","","1.248","","","","has coordinates","235765","2020-10-21","18:00:00",""
"4349720","15.026","0.006","15.026","0.006","17.267","0.01","90","","90","","90","","3899","3","113","2","113","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C8 H11 Cd Cl2 Co N10 S2 -","- C8 H11 Cd Cl2 Co N10 S2 -","- C64 H88 Cd8 Cl16 Co8 N80 S16 -","8","0.5","","Liu, Yu-Ling; Zhang, Wen","Cation-templated cyanometallate-based supramolecular rectangular cage compounds showing dielectric transitions","Inorganic Chemistry Frontiers","2017","4","8","1304","","10.1039/C7QI00218A","","","0.71073","MoKα","","0.1389","0.1381","","","0.2312","0.2315","","","","","","1.175","","","","has coordinates","235765","2020-10-21","18:00:00",""
"4349721","15.078","0.002","15.078","0.002","8.593","0.0017","90","","90","","90","","1953.6","0.5","298","2","298","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C8 H13 Cd Cl2 Co N12 -","- C8 H13 Cd Cl2 Co N12 -","- C32 H52 Cd4 Cl8 Co4 N48 -","4","0.25","","Liu, Yu-Ling; Zhang, Wen","Cation-templated cyanometallate-based supramolecular rectangular cage compounds showing dielectric transitions","Inorganic Chemistry Frontiers","2017","4","8","1304","","10.1039/C7QI00218A","","","0.71073","MoKα","","0.0531","0.0469","","","0.1149","0.1187","","","","","","1.047","","","","has coordinates","235765","2020-10-21","18:00:00",""
"4349722","15.2789","0.0013","15.2789","0.0013","8.65","0.004","90","","90","","90","","2019.3","1","183","2","183","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C12 H11 Cd Cl2 Co N10 -","- C12 H11 Cd Cl2 Co N10 -","- C48 H44 Cd4 Cl8 Co4 N40 -","4","0.25","","Liu, Yu-Ling; Zhang, Wen","Cation-templated cyanometallate-based supramolecular rectangular cage compounds showing dielectric transitions","Inorganic Chemistry Frontiers","2017","4","8","1304","","10.1039/C7QI00218A","","","0.71073","MoKα","","0.051","0.0489","","","0.1303","0.132","","","","","","1.204","","","","has coordinates","235765","2020-10-21","18:00:00",""
"4349723","14.954","0.006","14.954","0.006","8.566","0.005","90","","90","","90","","1915.5","1.6","113","2","113","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C8 H13 Cd Cl2 Co N12 -","- C8 H13 Cd Cl2 Co N12 -","- C32 H52 Cd4 Cl8 Co4 N48 -","4","0.25","","Liu, Yu-Ling; Zhang, Wen","Cation-templated cyanometallate-based supramolecular rectangular cage compounds showing dielectric transitions","Inorganic Chemistry Frontiers","2017","4","8","1304","","10.1039/C7QI00218A","","","0.71073","MoKα","","0.0663","0.0624","","","0.1454","0.1479","","","","","","1.119","","","","has coordinates","235765","2020-10-21","18:00:00",""
"4349724","15.0723","0.0016","15.0723","0.0016","8.6294","0.0009","90","","90","","90","","1960.4","0.4","273","2","273","2","","","","","","","","7","P 4/n m m :2","-P 4a 2a","129","","","","- C8 H11 Cd Cl2 Co N10 S2 -","- C8 H11 Cd Cl2 Co N10 S2 -","- C32 H44 Cd4 Cl8 Co4 N40 S8 -","4","0.25","","Liu, Yu-Ling; Zhang, Wen","Cation-templated cyanometallate-based supramolecular rectangular cage compounds showing dielectric transitions","Inorganic Chemistry Frontiers","2017","4","8","1304","","10.1039/C7QI00218A","","","0.71073","MoKα","","0.0962","0.0943","","","0.2432","0.2447","","","","","","1.078","","","","has coordinates","235765","2020-10-21","18:00:00",""
"4349725","10.2403","0.001","10.2403","0.001","20.772","0.0019","90","","90","","120","","1886.4","0.3","298","","299.65","","","","","","","","","3","P -6 c 2","P -6c 2","188","","Ba9Sn3Te15","","- Ba9 Sn2.94 Te15 -","- Ba9 Sn2.928 Te14.978 -","- Ba18 Sn5.856 Te29.956 -","2","0.166667","","Zhang, Jun; Su, Rui; Wang, Xiancheng; Li, Wenmin; Zhao, Jianfa; Deng, Zheng; Zhang, Sijia; Feng, Shaomin; Liu, Qingqing; Zhao, Huaizhou; Guan, Pengfei; Jin, Changqing","Synthesis, crystal structures, and electronic properties of one dimensional Ba9Sn3(Te1−xSex)15 (x = 0‒1)","Inorganic Chemistry Frontiers","2017","4","8","1337","","10.1039/C7QI00219J","","","0.71073","MoKα","","0.0284","0.0265","","","0.0558","0.0566","","","","","","1.188","","","","has coordinates,has disorder","235768","2020-10-21","18:00:00",""
"4349726","10.4132","0.0007","12.4976","0.0007","19.8741","0.0012","92.846","0.002","98.463","0.002","109.273","0.002","2401.5","0.3","150","2","149.99","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H39 Dy N12 O5 S4 -","- C45 H39 Dy N12 O5 S4 -","- C90 H78 Dy2 N24 O10 S8 -","2","1","","Wang, Long-Fei; Qiu, Jiang-Zhen; Chen, Yan-Cong; Liu, Jun-Liang; Li, Quan-Wen; Jia, Jian-Hua; Tong, Ming-Liang","[2 + 2] Photochemical modulation of the Dy(iii) single-molecule magnet: opposite influence on the energy barrier and relaxation time","Inorganic Chemistry Frontiers","2017","4","8","1311","","10.1039/C7QI00221A","","","0.71073","MoKα","","0.0481","0.0408","","","0.0895","0.0925","","","","","","1.059","","","","has coordinates,has disorder","235770","2020-10-21","18:00:00",""
"4349727","10.196","0.003","13.238","0.004","19.296","0.006","92.928","0.009","101.037","0.009","110.598","0.008","2372.9","1.3","150","2","149.99","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H78 Dy2 N24 O10 S8 -","- C90 H78 Dy2 N24 O10 S8 -","- C90 H78 Dy2 N24 O10 S8 -","1","0.5","","Wang, Long-Fei; Qiu, Jiang-Zhen; Chen, Yan-Cong; Liu, Jun-Liang; Li, Quan-Wen; Jia, Jian-Hua; Tong, Ming-Liang","[2 + 2] Photochemical modulation of the Dy(iii) single-molecule magnet: opposite influence on the energy barrier and relaxation time","Inorganic Chemistry Frontiers","2017","4","8","1311","","10.1039/C7QI00221A","","","0.71073","MoKα","","0.0452","0.0365","","","0.0812","0.0848","","","","","","1.048","","","","has coordinates,has disorder","301840","2025-08-20","23:45:04",""
"4349728","17.5405","0.0004","21.767","0.0004","7.47911","0.00014","90","","90","","90","","2855.55","0.1","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Cl5 N2 -","- C4 H16 Bi Cl5 N2 -","- C32 H128 Bi8 Cl40 N16 -","8","1","","Piecha-Bisiorek, Anna; Gągor, Anna; Jakubas, Ryszard; Ciżman, Agnieszka; Janicki, Rafał; Medycki, Wojciech","Ferroelectricity in bis(ethylammonium) pentachlorobismuthate(iii): synthesis, structure, polar and spectroscopic properties","Inorganic Chemistry Frontiers","2017","4","8","1281","","10.1039/C7QI00254H","","","0.7107","MoKα","","0.0412","0.0388","","","0.1086","0.1113","","","","","","1.106","","","","has coordinates,has disorder","235772","2020-10-21","18:00:00",""
"4349729","17.8318","0.0002","21.9673","0.0008","7.5656","0.0004","90","","90","","90","","2963.57","0.19","295","2","295","2","","","","","","","","5","A e a m","-A 2 2ab","64","","","","- C4 H16 Bi Cl5 N2 -","- C4 H16 Bi Cl5 N2 -","- C32 H128 Bi8 Cl40 N16 -","8","0.5","","Piecha-Bisiorek, Anna; Gągor, Anna; Jakubas, Ryszard; Ciżman, Agnieszka; Janicki, Rafał; Medycki, Wojciech","Ferroelectricity in bis(ethylammonium) pentachlorobismuthate(iii): synthesis, structure, polar and spectroscopic properties","Inorganic Chemistry Frontiers","2017","4","8","1281","","10.1039/C7QI00254H","","x-ray","0.71073","MoKα","","0.0349","0.0271","","","0.0652","0.0686","","","","","","1.117","","","","has coordinates","235772","2020-10-21","18:00:00",""
"4349730","7.45","0.03","33.85","0.17","7.42","0.04","90","","90","","90","","1871","16","203","2","203","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C10 H28 Cd Cl4 N2 -","- C10 H28 Cd Cl4 N2 -","- C40 H112 Cd4 Cl16 N8 -","4","0.5","","Wang, Zhongxia; Lv, Xing-Hui; Liu, Yu-Ling; Lu, Yang; Chen, Hai-Peng; Ge, Jia-Zhen","Prominent dielectric transitions in layered organic‒inorganic hybrids: (isoamyl-ammonium)2CdX4 (X = Cl and Br)","Inorganic Chemistry Frontiers","2017","4","8","1330","","10.1039/C7QI00270J","","","0.71073","MoKα","","0.1007","0.0969","","","0.2409","0.2494","","","","","","1.182","","","","has coordinates","235774","2020-10-21","18:00:00",""
"4349731","7.5775","0.0015","33.673","0.007","7.65","0.0015","90","","90","","90","","1952","0.7","298","2","298","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C10 H28 Cd Cl4 N2 -","- C10 H28 Cd Cl4 N2 -","- C40 H112 Cd4 Cl16 N8 -","4","0.25","","Wang, Zhongxia; Lv, Xing-Hui; Liu, Yu-Ling; Lu, Yang; Chen, Hai-Peng; Ge, Jia-Zhen","Prominent dielectric transitions in layered organic‒inorganic hybrids: (isoamyl-ammonium)2CdX4 (X = Cl and Br)","Inorganic Chemistry Frontiers","2017","4","8","1330","","10.1039/C7QI00270J","","","0.71073","MoKα","","0.0597","0.048","","","0.1205","0.1262","","","","","","1.132","","","","has coordinates","235774","2020-10-21","18:00:00",""
"4349732","8.0554","0.001","33.2382","0.0009","8.0623","0.0005","90","","90","","90","","2158.7","0.3","298","2","298","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C10 H28 Br4 Cd N2 -","- C10 H28 Br4 Cd N2 -","- C40 H112 Br16 Cd4 N8 -","4","0.25","","Wang, Zhongxia; Lv, Xing-Hui; Liu, Yu-Ling; Lu, Yang; Chen, Hai-Peng; Ge, Jia-Zhen","Prominent dielectric transitions in layered organic‒inorganic hybrids: (isoamyl-ammonium)2CdX4 (X = Cl and Br)","Inorganic Chemistry Frontiers","2017","4","8","1330","","10.1039/C7QI00270J","","","0.71073","MoKα","","0.1449","0.1074","","","0.2686","0.3026","","","","","","1.127","","","","has coordinates","235774","2020-10-21","18:00:00",""
"4349733","31.5688","0.0007","30.9664","0.0006","22.783","0.0004","90","","98.981","0.002","90","","21999","0.8","150","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C148 H122 N9 O80 P9 Pb9 -","- C148 H114 N9 O80 P9 Pb9 -","- C592 H456 N36 O320 P36 Pb36 -","4","0.5","","Bai, Dongjie; Chen, Fengli; Jiang, Donghao; He, Yabing","A rare Pb9 cluster-organic framework constructed from a flexible cyclotriphosphazene-functionalized hexacarboxylate exhibiting selective gas separation","Inorganic Chemistry Frontiers","2017","4","9","1501","","10.1039/C7QI00289K","","","0.71073","MoKα","","0.1073","0.0999","","","0.29","0.3133","","","","","","1.019","","","","has coordinates","235776","2020-10-21","18:00:00",""
"4349739","10.411","0.002","13.112","0.003","10.711","0.002","90","","90","","90","","1462.1","0.5","293","2","293","2","","","","","","","","6","P m c n","-P 2n 2a","62","","","","- C7 Cd N3 O P S3 -","- C7 Cd N3 O P S3 -","- C28 Cd4 N12 O4 P4 S12 -","4","0.5","","Zheng, Xuan; Shi, Ping-Ping; Lu, Yang; Zhou, Lin; Gao, Ji-Xing; Geng, Fu-Juan; Wu, De-Hong; Fu, Da-Wei; Ye, Qiong","Dielectric and nonlinear optical dual switching in an organic‒inorganic hybrid relaxor [(CH3)3PCH2OH][Cd(SCN)3]","Inorganic Chemistry Frontiers","2017","4","9","1445","","10.1039/C7QI00300E","","","0.71073","MoKα","","0.0492","0.0436","","","0.1158","0.1192","","","","","","1.165","","","","has coordinates,has disorder","235780","2020-10-21","18:00:00",""
"4349740","10.395","0.006","13.176","0.007","10.742","0.004","90","","92.12","0.04","90","","1470.3","1.3","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H24 Cd2 N6 O2 P2 S6 -","- C14 H24 Cd2 N6 O2 P2 S6 -","- C28 H48 Cd4 N12 O4 P4 S12 -","2","1","","Zheng, Xuan; Shi, Ping-Ping; Lu, Yang; Zhou, Lin; Gao, Ji-Xing; Geng, Fu-Juan; Wu, De-Hong; Fu, Da-Wei; Ye, Qiong","Dielectric and nonlinear optical dual switching in an organic‒inorganic hybrid relaxor [(CH3)3PCH2OH][Cd(SCN)3]","Inorganic Chemistry Frontiers","2017","4","9","1445","","10.1039/C7QI00300E","","","0.71073","MoKα","","0.1377","0.098","","","0.2511","0.2945","","","","","","1.077","","","","has coordinates","235780","2020-10-21","18:00:00",""
"4349741","14.8934","0.001","6.7188","0.0003","9.9423","0.0005","90","","90","","90","","994.88","0.09","280","2","280","2","","","","","","","","5","P n m a","-P 2ac 2n","62","N-methylpyrrolidinium cadmium trichloride","","","- C5 H12 Cd Cl3 N -","- C5 H12 Cd Cl3 N -","- C20 H48 Cd4 Cl12 N4 -","4","0.5","","Zeb, Aurang; Sun, Zhihua; Khan, Tariq; Asghar, Muhammad Adnan; Wu, Zhenyue; Li, Lina; Ji, Chengmin; Luo, Junhua","[C5H12N]CdCl3: an ABX3 perovskite-type semiconducting switchable dielectric phase transition material","Inorganic Chemistry Frontiers","2017","4","9","1485","","10.1039/C7QI00301C","","","0.71073","MoKα","","0.0444","0.032","","","0.0693","0.0777","","","","","","1.043","","","","has coordinates,has disorder","235782","2020-10-21","18:00:00",""
"4349742","6.6875","0.0004","10.0809","0.0005","14.5347","0.001","90","","92.298","0.005","90","","979.08","0.1","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-methylpyrrolidinium cadmium trichloride [NMPCC]","","","- C5 H12 Cd Cl3 N -","- C5 H12 Cd Cl3 N -","- C20 H48 Cd4 Cl12 N4 -","4","1","","Zeb, Aurang; Sun, Zhihua; Khan, Tariq; Asghar, Muhammad Adnan; Wu, Zhenyue; Li, Lina; Ji, Chengmin; Luo, Junhua","[C5H12N]CdCl3: an ABX3 perovskite-type semiconducting switchable dielectric phase transition material","Inorganic Chemistry Frontiers","2017","4","9","1485","","10.1039/C7QI00301C","","","1.54184","CuKα","","0.1053","0.0961","","","0.2612","0.268","","","","","","1.177","","","","has coordinates","235782","2020-10-21","18:00:00",""
"4349743","13.9117","0.0002","18.298","0.0003","32.78","0.0006","90","","90","","90","","8344.4","0.2","100","","100","","","","","","","","","7","F m 2 m","F -2 -2","42","","","","- C9 H15 F Ge6.11 N O13.75 Si0.64 -","- C9 H15 F1.00002 Ge6.11263 N O13.75 Si0.63785 -","- C144 H240 F16.0004 Ge97.802 N16 O220 Si10.2056 -","16","1","","Wang, Yilin; Wang, Yunchen; Su, Jie; Song, Xiaowei; Wan, Wei; Yu, Jihong","Interrupted silicogermanate with 10-ring channels: synthesis and structure determination by combining rotation electron diffraction and powder X-ray diffraction","Inorganic Chemistry Frontiers","2017","4","10","1654","","10.1039/C7QI00309A","powder diffraction","x-ray","0.459255","synchrotron","","","","","","","","","0.04481","2.825","","","","","","","has coordinates","235784","2020-10-21","18:00:00",""
"4349744","12.102","0.002","12.703","0.003","10.068","0.002","90","","90","","90","","1547.8","0.5","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- H36 K6 Nb6 O36 -","- K6 Nb6 O36 -","- K12 Nb12 O72 -","2","0.25","","Zhang, Ting-Ting; Zhang, Xiao; Lü, Ying; Li, Guo-Dong; Xiao, Li-Na; Cui, Xiao-Bing; Xu, Ji-Qing","New organic‒inorganic hybrid compounds based on [SiNb12V2O42]12− with high catalytic activity for styrene epoxidation","Inorganic Chemistry Frontiers","2017","4","8","1397","","10.1039/C7QI00318H","","","0.71073","MoKα","","0.0561","0.0544","","","0.1808","0.1818","","","","","","1.055","","","","has coordinates","235786","2020-10-21","18:00:00",""
"4349745","14.5357","0.0004","14.5357","0.0004","22.999","0.002","90","","90","","90","","4859.4","0.5","293","2","293","2","","","","","","","","8","P 4/m n c","-P 4 2n","128","","","","- C24 H112 Cu6 N24 Nb12 O50 Si V2 -","- C24 H64 Cu6 N24 Nb12 O50 Si V2 -","- C48 H128 Cu12 N48 Nb24 O100 Si2 V4 -","2","0.125","","Zhang, Ting-Ting; Zhang, Xiao; Lü, Ying; Li, Guo-Dong; Xiao, Li-Na; Cui, Xiao-Bing; Xu, Ji-Qing","New organic‒inorganic hybrid compounds based on [SiNb12V2O42]12− with high catalytic activity for styrene epoxidation","Inorganic Chemistry Frontiers","2017","4","8","1397","","10.1039/C7QI00318H","","","0.71073","MoKα","","0.134","0.0994","","","0.2499","0.2746","","","","","","1.062","","","","has coordinates","235786","2020-10-21","18:00:00",""
"4349746","23.2503","0.0007","20.5402","0.0006","20.6527","0.0007","90","","94.742","0.003","90","","9829.3","0.5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H138 Cu6 N24 Nb12 O63 Si V2 -","- C24 H96 Cu6 N24 Nb12 O63 Si V2 -","- C96 H384 Cu24 N96 Nb48 O252 Si4 V8 -","4","0.5","","Zhang, Ting-Ting; Zhang, Xiao; Lü, Ying; Li, Guo-Dong; Xiao, Li-Na; Cui, Xiao-Bing; Xu, Ji-Qing","New organic‒inorganic hybrid compounds based on [SiNb12V2O42]12− with high catalytic activity for styrene epoxidation","Inorganic Chemistry Frontiers","2017","4","8","1397","","10.1039/C7QI00318H","","","0.71073","MoKα","","0.0892","0.0801","","","0.159","0.1648","","","","","","1.033","","","","has coordinates","235786","2020-10-21","18:00:00",""
"4349747","14.8976","0.0005","20.6011","0.0008","16.2057","0.0006","90","","96.757","0.003","90","","4939.1","0.3","293","2","293","2","","","","","","","","8","I 1 2/m 1","-I 2y","12","","","","- C24 H132 Cu6 N24 Nb12 O60 Si V2 -","- C24 H72 Cu6 N24 Nb12 O60 Si V2 -","- C48 H144 Cu12 N48 Nb24 O120 Si2 V4 -","2","0.25","","Zhang, Ting-Ting; Zhang, Xiao; Lü, Ying; Li, Guo-Dong; Xiao, Li-Na; Cui, Xiao-Bing; Xu, Ji-Qing","New organic‒inorganic hybrid compounds based on [SiNb12V2O42]12− with high catalytic activity for styrene epoxidation","Inorganic Chemistry Frontiers","2017","4","8","1397","","10.1039/C7QI00318H","","","0.71073","MoKα","","0.0686","0.0602","","","0.1531","0.1604","","","","","","1.096","","","","has coordinates","235786","2020-10-21","18:00:00",""
"4349748","8.2425","0.0002","15.2469","0.0004","23.4816","0.0006","90","","90","","90","","2950.99","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 Cu2 N9 O11 -","- C20 H35 Cu2 N9 O11 -","- C80 H140 Cu8 N36 O44 -","4","1","","Radi, Smaail; El Massaoudi, Mohamed; Bacquet, Maryse; Degoutin, Stéphanie; Adarsh, N. N.; Robeyns, Koen; Garcia, Yann","A novel environment-friendly hybrid material based on a modified silica gel with a bispyrazole derivative for the removal of ZnII, PbII, CdII and CuII traces from aqueous solutions","Inorganic Chemistry Frontiers","2017","4","11","1821","","10.1039/C7QI00322F","","","0.71073","MoKα","","0.0687","0.0492","","","0.0958","0.1034","","","","","","1.034","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349749","20.79","0.009","17.444","0.007","7.132","0.003","90","","108.868","0.014","90","","2447.5","1.8","293","2","293","2","","","","","","","","7","C 1 m 1","C -2y","8","","","","- C18 H19 Ag F6 N3 O2 Sb -","- C18 H14 Ag F6 N3 O2 Sb -","- C72 H56 Ag4 F24 N12 O8 Sb4 -","4","1","","Das, Debarati; Biradha, Kumar","Metal‒organic gels of silver salts with an α,β-unsaturated ketone: the influence of anions and solvents on gelation","Inorganic Chemistry Frontiers","2017","4","8","1365","","10.1039/C7QI00328E","","","0.71073","MoKα","","0.1442","0.0788","","","0.1699","0.1954","","","","","","1.011","","","","has coordinates","235791","2020-10-21","18:00:00",""
"4349750","17.195","0.01","14.045","0.008","16.461","0.01","90","","117.639","0.016","90","","3522","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Ag2 N8 O8 -","- C36 H34 Ag2 N8 O8 -","- C144 H136 Ag8 N32 O32 -","4","1","","Das, Debarati; Biradha, Kumar","Metal‒organic gels of silver salts with an α,β-unsaturated ketone: the influence of anions and solvents on gelation","Inorganic Chemistry Frontiers","2017","4","8","1365","","10.1039/C7QI00328E","","","0.71073","MoKα","","0.142","0.0791","","","0.1825","0.2054","","","","","","1.065","","","","has coordinates","235791","2020-10-21","18:00:00",""
"4349753","41.29","0.009","8.0448","0.0015","17.843","0.004","90","","108.946","0.014","90","","5606","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl2 Fe N10 O8 -","- C24 H22 Cl2 Fe N10 O8 -","- C192 H176 Cl16 Fe8 N80 O64 -","8","1","","Bartual-Murgui, C.; Vela, S.; Darawsheh, M.; Diego, R.; Teat, S. J.; Roubeau, O.; Aromí, G.","A probe of steric ligand substituent effects on the spin crossover of Fe(ii) complexes","Inorganic Chemistry Frontiers","2017","4","8","1374","","10.1039/C7QI00347A","","","0.71073","MoKα","","0.12","0.07","","","0.1355","0.1553","","","","","","1.059","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349754","11.916","0.006","11.884","0.006","19.902","0.015","90","","98.552","0.013","90","","2787","3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H24 Cl2 Fe N10 O9 -","- C24 H22 Cl2 Fe N10 O9 -","- C96 H88 Cl8 Fe4 N40 O36 -","4","1","","Bartual-Murgui, C.; Vela, S.; Darawsheh, M.; Diego, R.; Teat, S. J.; Roubeau, O.; Aromí, G.","A probe of steric ligand substituent effects on the spin crossover of Fe(ii) complexes","Inorganic Chemistry Frontiers","2017","4","8","1374","","10.1039/C7QI00347A","","","0.7749","synchrotron","","0.1474","0.138","","","0.3254","0.3337","","","","","","1.015","","","","has coordinates","235796","2020-10-21","18:00:00",""
"4349755","8.326","0.0005","38.469","0.0019","9.613","0.0005","90","","95.768","0.003","90","","3063.4","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl2 Fe N10 O8 -","- C26 H26 Cl2 Fe N10 O8 -","- C104 H104 Cl8 Fe4 N40 O32 -","4","1","","Bartual-Murgui, C.; Vela, S.; Darawsheh, M.; Diego, R.; Teat, S. J.; Roubeau, O.; Aromí, G.","A probe of steric ligand substituent effects on the spin crossover of Fe(ii) complexes","Inorganic Chemistry Frontiers","2017","4","8","1374","","10.1039/C7QI00347A","","","0.71073","MoKα","","0.1004","0.0591","","","0.1483","0.1749","","","","","","1.019","","","","has coordinates,has disorder","301840","2025-08-20","23:45:04",""
"4349756","42.2075","0.0012","8.1769","0.0003","18.2952","0.0005","90","","111.307","0.002","90","","5882.6","0.3","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl2 Fe N10 O8 -","- C24 H22 Cl2 Fe N10 O8 -","- C192 H176 Cl16 Fe8 N80 O64 -","8","1","","Bartual-Murgui, C.; Vela, S.; Darawsheh, M.; Diego, R.; Teat, S. J.; Roubeau, O.; Aromí, G.","A probe of steric ligand substituent effects on the spin crossover of Fe(ii) complexes","Inorganic Chemistry Frontiers","2017","4","8","1374","","10.1039/C7QI00347A","","","0.71073","MoKα","","0.0838","0.0579","","","0.161","0.1806","","","","","","1.051","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349757","8.2654","0.0003","37.8383","0.0012","9.5096","0.0003","90","","96.203","0.002","90","","2956.7","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl2 Fe N10 O8 -","- C26 H26 Cl2 Fe N10 O8 -","- C104 H104 Cl8 Fe4 N40 O32 -","4","1","","Bartual-Murgui, C.; Vela, S.; Darawsheh, M.; Diego, R.; Teat, S. J.; Roubeau, O.; Aromí, G.","A probe of steric ligand substituent effects on the spin crossover of Fe(ii) complexes","Inorganic Chemistry Frontiers","2017","4","8","1374","","10.1039/C7QI00347A","","","0.71073","MoKα","","0.0669","0.0462","","","0.0969","0.1066","","","","","","1.031","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349758","17.7506","0.0005","17.7506","0.0005","22.4863","0.0007","90","","90","","90","","7085.1","0.4","93","2","93","2","","","","","","","","7","I 4/m","-I 4","87","","VNU-17","","- C24 H8 I0 N0 O22.12 S2 Zr3 -","- C24 H8 O22.12 S2 Zr3 -","- C96 H32 O88.48 S8 Zr12 -","4","0.25","","Lo, Tien H. N.; Nguyen, My V.; Tu, Thach N.","An anchoring strategy leads to enhanced proton conductivity in a new metal‒organic framework","Inorganic Chemistry Frontiers","2017","4","9","1509","","10.1039/C7QI00350A","","","1.54178","CuKα","","0.1583","0.1196","","","0.2832","0.3062","","","","","","1.06","","","","has coordinates","235799","2020-10-21","18:00:00",""
"4349759","13.9091","0.0007","18.0464","0.0009","16.7575","0.0008","90","","113.296","0.002","90","","3863.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(PZ5Me2)Co(OH2)](OTf)2","aqua(2,6-bis(1,1-bis(2-pyrazyl)ethyl)pyrazine)cobalt(II) trifluoromethanesulfonate","","- C32 H31 Co F6 N13 O7 S2 -","- C32 H31 Co F6 N13 O7 S2 -","- C128 H124 Co4 F24 N52 O28 S8 -","4","1","","Chen, Lizhu; Khadivi, Amir; Singh, Manpreet; Jurss, Jonah W.","Synthesis of a pentadentate, polypyrazine ligand and its application in cobalt-catalyzed hydrogen production","Inorganic Chemistry Frontiers","2017","4","10","1649","","10.1039/C7QI00362E","","","1.54178","CuKα","","0.0747","0.0671","","","0.182","0.1854","","","","","","1.154","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349760","10.529","0.0005","11.8506","0.0004","12.667","0.0005","92.344","0.003","100.789","0.004","103.221","0.003","1505.63","0.11","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C29.5 H9 Cl3 F13 N4 O Zn0.5 -","- C29.5 H9 Cl3 F13 N4 O Zn0.5 -","- C59 H18 Cl6 F26 N8 O2 Zn -","2","1","","Hu, Ji-Yun; Wu, Zhuo-Yan; Chai, Ke; Yang, Zi-Shu; Meng, Yin-Shan; Ning, Yingying; Zhang, Jing; Zhang, Jun-Long","β-Fluorinated porpholactones and metal complexes: synthesis, characterization and some spectroscopic studies","Inorganic Chemistry Frontiers","2017","4","9","1539","","10.1039/C7QI00375G","","","0.71","MoKα","","0.1082","0.0875","","","0.2409","0.2603","","","","","","1.137","","","","has coordinates,has disorder","235804","2020-10-21","18:00:00",""
"4349761","15.8764","0.0005","19.4336","0.0005","22.97","0.0006","90","","90","","90","","7087.1","0.3","180","2","180","2","","","","","","","","10","C m c m","-C 2c 2","63","","","","- C55 H11 Cl2 Co D18 F20 N4 O11 P3 Yb -","- C55 H11 Cl2 Co D18 F20 N4 O11 P3 Yb -","- C220 H44 Cl8 Co4 D72 F80 N16 O44 P12 Yb4 -","4","0.25","","Hu, Ji-Yun; Wu, Zhuo-Yan; Chai, Ke; Yang, Zi-Shu; Meng, Yin-Shan; Ning, Yingying; Zhang, Jing; Zhang, Jun-Long","β-Fluorinated porpholactones and metal complexes: synthesis, characterization and some spectroscopic studies","Inorganic Chemistry Frontiers","2017","4","9","1539","","10.1039/C7QI00375G","","","0.71073","MoKα","","0.0411","0.0347","","","0.0997","0.1057","","","","","","1.112","","","","has coordinates,has disorder","235804","2020-10-21","18:00:00",""
"4349762","24.4325","0.0006","10.159","0.0002","24.4872","0.0006","90","","92.014","0.002","90","","6074.2","0.2","180","0.1","180","0.1","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C54 H5 Co D18 F26 N4 O11 P3 Yb -","- C54 H5 Co D18 F26 N4 O11 P3 Yb -","- C216 H20 Co4 D72 F104 N16 O44 P12 Yb4 -","4","1","","Hu, Ji-Yun; Wu, Zhuo-Yan; Chai, Ke; Yang, Zi-Shu; Meng, Yin-Shan; Ning, Yingying; Zhang, Jing; Zhang, Jun-Long","β-Fluorinated porpholactones and metal complexes: synthesis, characterization and some spectroscopic studies","Inorganic Chemistry Frontiers","2017","4","9","1539","","10.1039/C7QI00375G","","x-ray","0.71073","MoKα","","0.0537","0.0397","","","0.0914","0.1013","","","","","","1.061","","","","has coordinates","235804","2020-10-21","18:00:00",""
"4349763","10.671","0.004","11.165","0.004","11.549","0.005","84.587","0.011","65.074","0.011","79.68","0.02","1227.3","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21.48 Br Mn N5 O3.24 -","- C26 H21.464 Br Mn N5 O3.232 -","- C52 H42.928 Br2 Mn2 N10 O6.464 -","2","1","","Mansour, Ahmed M.; Friedrich, Alexandra","The CO release properties of κ2N1,N2Mn(i) tricarbonyl photoCORMs with tridentate benzimidazole coligands","Inorganic Chemistry Frontiers","2017","4","9","1517","","10.1039/C7QI00390K","","","0.71073","MoKα","","0.0282","0.0248","","","0.0649","0.0665","","","","","","1.057","","","","has coordinates,has disorder","235807","2020-10-21","18:00:00",""
"4349764","28.855","0.011","6.95","0.003","25.152","0.009","90","","106.66","0.03","90","","4832","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 Br Mn N5 O4 -","- C25 H19 Br Mn N5 O4 -","- C200 H152 Br8 Mn8 N40 O32 -","8","1","","Mansour, Ahmed M.; Friedrich, Alexandra","The CO release properties of κ2N1,N2Mn(i) tricarbonyl photoCORMs with tridentate benzimidazole coligands","Inorganic Chemistry Frontiers","2017","4","9","1517","","10.1039/C7QI00390K","","","0.71073","MoKα","","0.0411","0.0332","","","0.0825","0.0866","","","","","","1.03","","","","has coordinates","235807","2020-10-21","18:00:00",""
"4349765","13.2768","0.0004","11.5328","0.0003","35.204","0.0009","90","","98.806","0.001","90","","5326.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dy2L4","","- C48 H56 Dy2 N8 O15 -","- C48 H56 Dy2 N8 O15 -","- C192 H224 Dy8 N32 O60 -","4","1","","Lyu, Deng-Ping; Zheng, Jie-Yu; Li, Quan-Wen; Liu, Jun-Liang; Chen, Yan-Cong; Jia, Jian-Hua; Tong, Ming-Liang","Construction of lanthanide single-molecule magnets with the “magnetic motif” [Dy(MQ)4]−","Inorganic Chemistry Frontiers","2017","4","11","1776","","10.1039/C7QI00393E","","","0.71073","MoKα","","0.0537","0.0439","","","0.1088","0.1141","","","","","","1.032","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349766","15.7278","0.0005","27.8929","0.001","15.8319","0.0006","90","","94.061","0.001","90","","6927.9","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dy3L8","","- C80 H64 Dy3 N9 O11 -","- C80 H64 Dy3 N9 O11 -","- C320 H256 Dy12 N36 O44 -","4","1","","Lyu, Deng-Ping; Zheng, Jie-Yu; Li, Quan-Wen; Liu, Jun-Liang; Chen, Yan-Cong; Jia, Jian-Hua; Tong, Ming-Liang","Construction of lanthanide single-molecule magnets with the “magnetic motif” [Dy(MQ)4]−","Inorganic Chemistry Frontiers","2017","4","11","1776","","10.1039/C7QI00393E","","","0.71073","MoKα","","0.033","0.0223","","","0.044","0.0468","","","","","","1.021","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349767","8.5157","0.0017","14.75","0.003","4.2511","0.0009","90","","90","","90","","533.97","0.19","293","2","293","2","","","","","","","","3","C m c e","-C 2ac 2","64","Ce2PtGe3","","","- Ce2 Ge3.09 Pt0.91 -","- Ce2 Ge3.092 Pt0.908 -","- Ce8 Ge12.368 Pt3.632 -","4","0.25","","Sarkar, Sumanta; Roy, Soumyabrata; Kalsi, Deepti; Peter, Sebastian C.","Ce2PtGe3: a new ordered orthorhombic superstructure in the AlB2family with spin glass behavior","Inorganic Chemistry Frontiers","2017","4","12","2097","","10.1039/C7QI00416H","","","0.71073","MoKα","","0.099","0.0316","","","0.0755","0.1098","","","","","","0.832","","","","has coordinates","235812","2020-10-21","18:00:00",""
"4349773","10.6753","0.0005","12.7814","0.0005","13.0976","0.0005","113.737","0.004","90.433","0.003","112.56","0.004","1482.74","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cu3 H70 O74 W12 -","- Cu3 H70 O74 W12 -","- Cu3 H70 O74 W12 -","1","0.5","","Chen, Yongdong; Zhang, Chaolei; Zhang, Jiangwei; Ye, Zhongbin; Zheng, Kai; Fang, Qihua; Li, Gao","Cu-Induced [H6W12O42]6− polyoxometalate-based bimetallic cluster formation for renewable biomass inulin hydrolysis toward fructose production","Inorganic Chemistry Frontiers","2017","4","11","1917","","10.1039/C7QI00516D","","","0.71073","MoKα","","0.0552","0.0482","","","0.08","0.1062","","","","","","1.071","","","","has coordinates","235818","2020-10-21","18:00:00",""
"4349774","15.9905","0.0011","10.9332","0.0008","16.8489","0.0012","90","","102.551","0.001","90","","2875.3","0.4","296","2","296.15","","","","","","","","no","6","P 1 21/n 1","-P 2yn","14","Co(L1)2(ClO4)2","1","","- C22 H22 Cl2 Co N6 O12 -","- C22 H22 Cl2 Co N6 O12 -","- C88 H88 Cl8 Co4 N24 O48 -","4","1","","Ding, Zhong-Yu; Meng, Yin-Shan; Xiao, Yi; Zhang, Yi-Quan; Zhu, Yuan-Yuan; Gao, Song","Probing the influence of molecular symmetry on the magnetic anisotropy of octahedral cobalt(ii) complexes","Inorganic Chemistry Frontiers","2017","4","11","1909","","10.1039/C7QI00547D","","","0.71073","MoKα","","0.0475","0.0417","","","0.1217","0.1281","","","","","","1.02","","","","has coordinates,has disorder","301840","2025-08-20","23:45:04",""
"4349775","13.8991","0.0004","19.9517","0.0006","25.3128","0.0008","90","","90","","90","","7019.5","0.4","180","0.1","180","0.1","","","","","","","no","6","P b c a","-P 2ac 2ab","61","Co(L2)2(ClO4)2","2","","- C30 H38 Cl2 Co N6 O12 -","- C30 H38 Cl2 Co N6 O12 -","- C240 H304 Cl16 Co8 N48 O96 -","8","1","","Ding, Zhong-Yu; Meng, Yin-Shan; Xiao, Yi; Zhang, Yi-Quan; Zhu, Yuan-Yuan; Gao, Song","Probing the influence of molecular symmetry on the magnetic anisotropy of octahedral cobalt(ii) complexes","Inorganic Chemistry Frontiers","2017","4","11","1909","","10.1039/C7QI00547D","","","0.71073","MoKα","","0.0868","0.0672","","","0.1695","0.1865","","","","","","1.022","","","","has coordinates,has disorder","301840","2025-08-20","23:45:04",""
"4349776","16.0297","0.0006","16.823","0.0006","19.7681","0.0008","90","","109.738","0.001","90","","5017.6","0.3","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","5","Co-pybox-DiMe-pTol","","- C46 H53 Cl2 Co N7 O12 -","- C46 H53 Cl2 Co N7 O12 -","- C184 H212 Cl8 Co4 N28 O48 -","4","1","","Ding, Zhong-Yu; Meng, Yin-Shan; Xiao, Yi; Zhang, Yi-Quan; Zhu, Yuan-Yuan; Gao, Song","Probing the influence of molecular symmetry on the magnetic anisotropy of octahedral cobalt(ii) complexes","Inorganic Chemistry Frontiers","2017","4","11","1909","","10.1039/C7QI00547D","","","0.71073","MoKα","","0.092","0.0628","","","0.1671","0.1923","","","","","","1.029","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349777","16.987","0.003","19.242","0.004","22.838","0.005","90","","90","","90","","7465","3","153.15","","153.15","","","","","","","","no","6","P b c a","-P 2ac 2ab","61","Co(L2)2(ClO4)2(MeCN)","3","","- C32 H41 Cl2 Co N7 O12 -","- C32 H41 Cl2 Co N7 O12 -","- C256 H328 Cl16 Co8 N56 O96 -","8","1","","Ding, Zhong-Yu; Meng, Yin-Shan; Xiao, Yi; Zhang, Yi-Quan; Zhu, Yuan-Yuan; Gao, Song","Probing the influence of molecular symmetry on the magnetic anisotropy of octahedral cobalt(ii) complexes","Inorganic Chemistry Frontiers","2017","4","11","1909","","10.1039/C7QI00547D","","","0.71073","MoKα","","0.0861","0.0809","","","0.1405","0.1423","","","","","","1.32","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349778","18.847","0.004","17.562","0.004","11.378","0.002","90","","90","","90","","3766","1.3","153.15","","153.15","","","","","","","","no","6","P n a 21","P 2c -2n","33","Co(L3)2(ClO4)2","4","","- C36 H34 Cl2 Co N6 O12 -","- C36 H34 Cl2 Co N6 O12 -","- C144 H136 Cl8 Co4 N24 O48 -","4","1","","Ding, Zhong-Yu; Meng, Yin-Shan; Xiao, Yi; Zhang, Yi-Quan; Zhu, Yuan-Yuan; Gao, Song","Probing the influence of molecular symmetry on the magnetic anisotropy of octahedral cobalt(ii) complexes","Inorganic Chemistry Frontiers","2017","4","11","1909","","10.1039/C7QI00547D","","","0.71073","MoKα","","0.0611","0.0526","","","0.1044","0.109","","","","","","1.087","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349779","25.736","0.003","75.453","0.007","9.3523","0.0009","90","","90","","90","","18161","3","296.15","","296.15","","","","","","","","no","6","F d d 2","F 2 -2d","43","Co(L4)2(ClO4)2","5","","- C40 H48 Cl2 Co N8 O14 -","- C40 H48 Cl2 Co N8 O14 -","- C640 H768 Cl32 Co16 N128 O224 -","16","1","","Ding, Zhong-Yu; Meng, Yin-Shan; Xiao, Yi; Zhang, Yi-Quan; Zhu, Yuan-Yuan; Gao, Song","Probing the influence of molecular symmetry on the magnetic anisotropy of octahedral cobalt(ii) complexes","Inorganic Chemistry Frontiers","2017","4","11","1909","","10.1039/C7QI00547D","","","0.71073","MoKα","","0.0878","0.0629","","","0.1672","0.1851","","","","","","1.003","","","","has coordinates","301840","2025-08-20","23:45:04",""
"4349783","8.0423","0.0004","10.5269","0.0004","32.6069","0.0014","90","","90","","90","","2760.5","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N5 O3 Zn -","- C12 H13 N5 O3 Zn -","- C96 H104 N40 O24 Zn8 -","8","1","","Zhang, Xiao; Luo, Xuan; Zhang, Nanxi; Wu, Jie; Huang, Yong-Qing","A highly selective and sensitive Zn(ii) coordination polymer luminescent sensor for Al3+and NACs in the aqueous phase","Inorganic Chemistry Frontiers","2017","4","11","1888","","10.1039/C7QI00549K","","x-ray","0.71073","MoKα","","0.0751","0.0428","","","0.0575","0.0678","","","","","","0.951","","","","has coordinates","235826","2020-10-21","18:00:00",""
"4349784","13.3504","0.0002","17.9198","0.0002","14.0028","0.0002","90","","115.764","0.002","90","","3016.97","0.09","130","0.1","130","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 Cl2 N O3 P2 Pt -","- C33 H27 Cl2 N O3 P2 Pt -","- C132 H108 Cl8 N4 O12 P8 Pt4 -","4","1","","Sabounchei, Seyyed Javad; Hosseinzadeh, Marjan; Salehzadeh, Sadegh; Maleki, Farahnaz; Gable, Robert W.","Mononuclear palladium(ii) and platinum(ii) complexes of P,C-donor ligands: synthesis, crystal structures, cytotoxicity, and mechanistic studies of a highly stereoselective Mizoroki‒Heck reaction","Inorganic Chemistry Frontiers","2017","4","12","2107","","10.1039/C7QI00568G","","x-ray","0.71073","MoKα","","0.0251","0.0209","","","0.0422","0.0448","","","","","","1.132","","","","has coordinates","235828","2020-10-21","18:00:00",""
"4349785","15.429","0.0002","16.4777","0.0003","27.0274","0.0005","90","","90.6167","0.0015","90","","6870.9","0.2","129.99","0.1","129.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Cl2 O P2 Pd -","- C40 H34 Cl2 O P2 Pd -","- C320 H272 Cl16 O8 P16 Pd8 -","8","2","","Sabounchei, Seyyed Javad; Hosseinzadeh, Marjan; Salehzadeh, Sadegh; Maleki, Farahnaz; Gable, Robert W.","Mononuclear palladium(ii) and platinum(ii) complexes of P,C-donor ligands: synthesis, crystal structures, cytotoxicity, and mechanistic studies of a highly stereoselective Mizoroki‒Heck reaction","Inorganic Chemistry Frontiers","2017","4","12","2107","","10.1039/C7QI00568G","","x-ray","1.54184","CuKα","","0.0793","0.0726","","","0.1808","0.184","","","","","","1.126","","","","has coordinates","235828","2020-10-21","18:00:00",""
"4505259","20.101","0.004","9.511","0.0019","6.67","0.0013","90","","90","","90","","1275.2","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H8 N4 O -","- C11 H8 N4 O -","- C44 H32 N16 O4 -","4","1","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Penn, Benjamin G.; Frazier, Donald O.; Timofeeva, Tatiana V.","Thermally Stable Imines as New Potential Nonlinear Optical Materials","Crystal Growth & Design","2004","4","3","521","","10.1021/cg034068c","","","0.71073","MoKα","","0.1816","0.0701","","","0.1874","0.2429","","","","","","0.99","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505260","11.12","0.002","25.49","0.005","4.023","0.0008","90","","90","","90","","1140.3","0.4","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C48 H40 N16 O4 -","4","1","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Penn, Benjamin G.; Frazier, Donald O.; Timofeeva, Tatiana V.","Thermally Stable Imines as New Potential Nonlinear Optical Materials","Crystal Growth & Design","2004","4","3","521","","10.1021/cg034068c","","","0.71073","MoKα","","0.1637","0.0562","","","0.1318","0.1659","","","","","","1.029","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505261","12.262","0.003","7.108","0.0014","15.749","0.003","90","","111.69","0.03","90","","1275.5","0.5","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Penn, Benjamin G.; Frazier, Donald O.; Timofeeva, Tatiana V.","Thermally Stable Imines as New Potential Nonlinear Optical Materials","Crystal Growth & Design","2004","4","3","521","","10.1021/cg034068c","","","0.71073","MoKα","","0.1026","0.0486","","","0.1287","0.1485","","","","","","1.081","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505262","22.949","0.004","7.2485","0.0012","19.134","0.003","90","","114.885","0.003","90","","2887.3","0.8","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 N5 -","- C15 H17 N5 -","- C120 H136 N40 -","8","1","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Penn, Benjamin G.; Frazier, Donald O.; Timofeeva, Tatiana V.","Thermally Stable Imines as New Potential Nonlinear Optical Materials","Crystal Growth & Design","2004","4","3","521","","10.1021/cg034068c","","","0.71073","MoKα","","0.056","0.0511","","","0.1482","0.155","","","","","","1.055","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505264","31.973","0.012","12.074","0.004","8.297","0.003","90","","90","","90","","3203","2","153","2","153","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H19 N5 -","- C17 H19 N5 -","- C136 H152 N40 -","8","2","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Penn, Benjamin G.; Frazier, Donald O.; Timofeeva, Tatiana V.","Thermally Stable Imines as New Potential Nonlinear Optical Materials","Crystal Growth & Design","2004","4","3","521","","10.1021/cg034068c","","","0.71073","MoKα","","0.1025","0.0579","","","0.112","0.1256","","","","","","0.88","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505265","21.894","0.002","14.2244","0.0015","15.8191","0.0018","90","","128.902","0.002","90","","3833.9","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 Ag2 N6 O8 Si4 -","- C28 H40 Ag2 N6 O8 Si4 -","- C112 H160 Ag8 N24 O32 Si16 -","4","0.5","","Jung, Ok-Sang; Kim, Yun Ju; Lee, Young-A; Kang, Shin Won; Choi, Sung Nak","Tunable Transannular Silver−Silver Interaction in Molecular Rectangles","Crystal Growth & Design","2004","4","1","23","","10.1021/cg0341048","","","0.71073","MoKα","","0.1388","0.0448","","","0.0962","0.1429","","","","","","0.973","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505266","22.638","0.013","14.478","0.008","15.369","0.009","90","","125.024","0.01","90","","4125","4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 Ag2 Cl2 N4 O10 Si4 -","- C28 H40 Ag2 Cl2 N4 O10 Si4 -","- C112 H160 Ag8 Cl8 N16 O40 Si16 -","4","0.5","","Jung, Ok-Sang; Kim, Yun Ju; Lee, Young-A; Kang, Shin Won; Choi, Sung Nak","Tunable Transannular Silver−Silver Interaction in Molecular Rectangles","Crystal Growth & Design","2004","4","1","23","","10.1021/cg0341048","","","0.71073","MoKα","","0.1936","0.0746","","","0.1816","0.264","","","","","","1.038","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505267","19.647","0.005","8.933","0.003","25.427","0.005","90","","107.01","0.03","90","","4267","2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 Ag2 F12 N4 O2 P2 Si4 -","- C28 H40 Ag2 F12 N4 O2 P2 Si4 -","- C112 H160 Ag8 F48 N16 O8 P8 Si16 -","4","0.5","","Jung, Ok-Sang; Kim, Yun Ju; Lee, Young-A; Kang, Shin Won; Choi, Sung Nak","Tunable Transannular Silver−Silver Interaction in Molecular Rectangles","Crystal Growth & Design","2004","4","1","23","","10.1021/cg0341048","","","0.71073","MoKα","","0.0823","0.0771","","","0.2132","0.2193","","","","","","1.216","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505268","8.6214","0.0007","27.421","0.002","9.9035","0.0009","90","","92.446","0.002","90","","2339.1","0.3","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Ag F3 N2 O5 S Si2 -","- C16 H20 Ag F3 N2 O5 S Si2 -","- C64 H80 Ag4 F12 N8 O20 S4 Si8 -","4","1","","Jung, Ok-Sang; Kim, Yun Ju; Lee, Young-A; Kang, Shin Won; Choi, Sung Nak","Tunable Transannular Silver−Silver Interaction in Molecular Rectangles","Crystal Growth & Design","2004","4","1","23","","10.1021/cg0341048","","","0.71073","MoKα","","0.123","0.0555","","","0.1481","0.1815","","","","","","0.965","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505269","24.732","0.0004","7.742","0.0001","14.343","0.0003","90","","108.421","0.001","90","","2605.61","0.08","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","1:1 molecular complex of benzoic acid and pentafluorobenzoic acid","1:1 molecular complex of benzoic acid and pentafluorobenzoic acid","","- C14 H7 F5 O4 -","- C14 H7 F5 O4 -","- C112 H56 F40 O32 -","8","2","","Reddy, L. Sreenivas; Nangia, Ashwini; Lynch, Vincent M.","Phenyl-Perfluorophenyl Synthon Mediated Cocrystallization of Carboxylic Acids and Amides","Crystal Growth & Design","2004","4","1","89","","10.1021/cg034106s","","","0.71073","MoKα","","0.0864","0.0474","","","0.1022","0.1221","","","","","","1.047","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505270","7.3546","0.0003","6.0207","0.0002","14.7507","0.0005","90","","90.568","0.002","90","","653.13","0.04","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","1:1 molecular complex of benzamide and pentafluorobenzamide","1:1 molecular complex of benzamide and pentafluorobenzamide","","- C14 H9 F5 N2 O2 -","- C14 H9 F5 N2 O2 -","- C28 H18 F10 N4 O4 -","2","1","","Reddy, L. Sreenivas; Nangia, Ashwini; Lynch, Vincent M.","Phenyl-Perfluorophenyl Synthon Mediated Cocrystallization of Carboxylic Acids and Amides","Crystal Growth & Design","2004","4","1","89","","10.1021/cg034106s","","","0.71073","MoKα","","0.0604","0.0412","","","0.0881","0.0987","","","","","","1.099","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505271","11.29","0.002","6.7326","0.0013","18.085","0.004","90","","105.04","0.03","90","","1327.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1:1 molecular complex of benzamide and pentafluorobenzoic acid","1:1 molecular complex of benzamide and pentafluorobenzoic acid","","- C14 H8 F5 N O3 -","- C14 H8 F5 N O3 -","- C56 H32 F20 N4 O12 -","4","1","","Reddy, L. Sreenivas; Nangia, Ashwini; Lynch, Vincent M.","Phenyl-Perfluorophenyl Synthon Mediated Cocrystallization of Carboxylic Acids and Amides","Crystal Growth & Design","2004","4","1","89","","10.1021/cg034106s","","","0.71073","MoKα","","0.078","0.0421","","","0.1012","0.1165","","","","","","1.032","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505272","12.749","0.003","6.1977","0.0012","9.5974","0.0019","90","","99.94","0.03","90","","747","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pentafluorobenzamide","pentafluorobenzamide","","- C7 H2 F5 N O -","- C7 H2 F5 N O -","- C28 H8 F20 N4 O4 -","4","1","","Reddy, L. Sreenivas; Nangia, Ashwini; Lynch, Vincent M.","Phenyl-Perfluorophenyl Synthon Mediated Cocrystallization of Carboxylic Acids and Amides","Crystal Growth & Design","2004","4","1","89","","10.1021/cg034106s","","","0.71073","MoKα","","0.1869","0.0678","","","0.1366","0.1764","","","","","","0.982","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505273","6.7682","0.0019","27.871","0.008","8.581","0.003","90","","98.4","0.006","90","","1601.3","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Ag F6 N4 P S -","- C12 H8 Ag F6 N4 P S -","- C48 H32 Ag4 F24 N16 P4 S4 -","4","1","","Huang, Zheng; Du, Miao; Song, Hai-Bin; Bu, Xian-He","Effect of Anions on the Framework Formation of Novel AgICoordination Polymers with Angular Bridging Ligands","Crystal Growth & Design","2004","4","1","71","","10.1021/cg0341095","","","0.71073","MoKα","","0.0737","0.0449","","","0.0837","0.0918","","","","","","1.069","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505274","6.92","0.003","28.322","0.014","7.779","0.004","90","","102.234","0.008","90","","1490","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Ag Cl N4 O4 S -","- C12 H8 Ag Cl N4 O4 S -","- C48 H32 Ag4 Cl4 N16 O16 S4 -","4","1","","Huang, Zheng; Du, Miao; Song, Hai-Bin; Bu, Xian-He","Effect of Anions on the Framework Formation of Novel AgICoordination Polymers with Angular Bridging Ligands","Crystal Growth & Design","2004","4","1","71","","10.1021/cg0341095","","","0.71073","MoKα","","0.0666","0.0468","","","0.0894","0.0972","","","","","","0.998","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505275","14.4598","0.0002","15.0176","0.0001","15.0598","0.0002","70.867","0.001","64.275","0.001","76.407","0.001","2766.81","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 Ag4 N20 O12 S4 -","- C48 H32 Ag4 N20 O12 S4 -","- C96 H64 Ag8 N40 O24 S8 -","2","1","","Huang, Zheng; Du, Miao; Song, Hai-Bin; Bu, Xian-He","Effect of Anions on the Framework Formation of Novel AgICoordination Polymers with Angular Bridging Ligands","Crystal Growth & Design","2004","4","1","71","","10.1021/cg0341095","","","0.71073","MoKα","","0.0859","0.0564","","","0.1297","0.1571","","","","","","1.182","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505276","6.4369","0.0019","11.095","0.003","11.422","0.003","81.59","0.005","88.922","0.005","83.274","0.005","801.4","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H8 Ag F3 N4 O3 S2 -","- C13 H8 Ag F3 N4 O3 S2 -","- C26 H16 Ag2 F6 N8 O6 S4 -","2","1","","Huang, Zheng; Du, Miao; Song, Hai-Bin; Bu, Xian-He","Effect of Anions on the Framework Formation of Novel AgICoordination Polymers with Angular Bridging Ligands","Crystal Growth & Design","2004","4","1","71","","10.1021/cg0341095","","","0.71073","MoKα","","0.0468","0.0331","","","0.0749","0.0888","","","","","","1.087","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505277","5.536","0.004","16.555","0.008","16.677","0.008","90","","95.475","0.013","90","","1521.4","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Ag F3 N4 O4 S -","- C13 H8 Ag F3 N4 O4 S -","- C52 H32 Ag4 F12 N16 O16 S4 -","4","1","","Huang, Zheng; Du, Miao; Song, Hai-Bin; Bu, Xian-He","Effect of Anions on the Framework Formation of Novel AgICoordination Polymers with Angular Bridging Ligands","Crystal Growth & Design","2004","4","1","71","","10.1021/cg0341095","","","0.71073","MoKα","","0.1201","0.0546","","","0.0777","0.0919","","","","","","1.014","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505278","15.611","0.006","13.561","0.006","16.79","0.007","90","","95.629","0.007","90","","3537","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 Ag N3 O3 S4 -","- C15 H10 Ag N3 O3 S4 -","- C120 H80 Ag8 N24 O24 S32 -","8","1","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.0917","0.0588","","","0.1187","0.1304","","","","","","1.128","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505279","11.518","0.003","14.148","0.004","13.899","0.004","90","","112.123","0.004","90","","2098.2","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Ag2 Cl2 N4 O10 S8 -","- C30 H20 Ag2 Cl2 N4 O10 S8 -","- C60 H40 Ag4 Cl4 N8 O20 S16 -","2","0.5","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.0582","0.0417","","","0.1117","0.1242","","","","","","1.015","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505280","9.786","0.004","10.5","0.004","13.263","0.005","98.842","0.008","92.006","0.007","116.65","0.006","1195.2","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H15 Ag Cl3 N3 O3 S4 -","- C18 H15 Ag Cl3 N3 O3 S4 -","- C36 H30 Ag2 Cl6 N6 O6 S8 -","2","1","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.1112","0.051","","","0.0953","0.1125","","","","","","0.998","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505281","23.239","0.012","6.001","0.003","16.245","0.008","90","","109.009","0.009","90","","2141.9","1.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Ag Cl N2 O4 S4 -","- C18 H16 Ag Cl N2 O4 S4 -","- C72 H64 Ag4 Cl4 N8 O16 S16 -","4","0.5","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.1009","0.074","","","0.1841","0.2052","","","","","","1.055","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505282","23.233","0.012","6.001","0.003","16.228","0.009","90","","109.078","0.01","90","","2138.3","1.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Ag B F4 N2 S4 -","- C18 H16 Ag B F4 N2 S4 -","- C72 H64 Ag4 B4 F16 N8 S16 -","4","0.5","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.1293","0.0687","","","0.1529","0.1778","","","","","","1.014","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505283","10.055","0.004","10.369","0.004","14.029","0.006","80.831","0.007","86.92","0.006","65.435","0.006","1313.2","0.9","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H19 Ag Cl3 N3 O3 S4 -","- C20 H19 Ag Cl3 N3 O3 S4 -","- C40 H38 Ag2 Cl6 N6 O6 S8 -","2","1","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.0755","0.0457","","","0.1124","0.1298","","","","","","1.022","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505284","12.094","0.005","13.077","0.005","16.097","0.006","108.992","0.007","94.586","0.007","107.799","0.007","2246","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H36 Ag2 Cl2 N4 O8 S8 -","- C38 H36 Ag2 Cl2 N4 O8 S8 -","- C76 H72 Ag4 Cl4 N8 O16 S16 -","2","1","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.1165","0.0597","","","0.148","0.1763","","","","","","1.03","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505285","8.5983","0.0015","13.1561","0.0019","13.46","0.002","90","","92.47","0.005","90","","1521.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H16 Be3 N2 O12 P4 -","- C3 H16 Be3 N2 O12 P4 -","- C12 H64 Be12 N8 O48 P16 -","4","1","","Fu, Wensheng; Wang, Lei; Shi, Zhan; Li, Guanghua; Chen, Xiaobo; Dai, Zhimin; Yang, Lei; Feng, Shouhua","The First Organically Templated Beryllium Phosphite [NH3(CH2)3NH3]·Be3(HPO3)4: Hydrothermal Synthesis and X-ray Crystal Structure","Crystal Growth & Design","2004","4","2","297","","10.1021/cg034116t","","","0.71073","MoKα","","0.035","0.0325","","","0.096","0.0976","","","","","","1.061","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505286","13.537","0.003","9.918","0.001","11.304","0.002","90","","109.31","0.01","90","","1432.3","0.4","297.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H17 N4 O2 -","- C14 H17 N4 O2 -","- C56 H68 N16 O8 -","4","1","","Nagashima, Hideaki; Fujita, Shin'ya; Inoue, Hidenari; Yoshioka, Naoki","Metamagnetic Behavior Observed in Purely Organic 5-Azaindol-2-yl Nitronyl Nitroxide Brick-Wall Architecture","Crystal Growth & Design","2004","4","1","19","","10.1021/cg0341205","","","0.71073","MoKα","","","0.045","","","","0.141","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505287","7.0936","0.0007","8.5462","0.0008","14.1966","0.0014","90","","109.147","0.001","90","","813.03","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Supramolecular complex between cyananilic acid, 2,2'-bipyrimidine and water","","","- C16 H12 N6 O6 -","- C16 H12 N6 O6 -","- C32 H24 N12 O12 -","2","0.5","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","Supramolecular Grid and Layer Architectures. Hydrogen Bonds and Halogen−Halogen Interactions Influenced by Bromo-, Chloro-, and Cyano-Substituted Anilic Acids","Crystal Growth & Design","2004","4","3","585","","10.1021/cg034134a","","","0.7107","MoKα","","0.0379","0.0294","","","0.0798","0.0832","","","","","","1.072","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505288","25.79","0.002","3.7148","0.0003","17.2252","0.0014","90","","100.081","0.002","90","","1624.8","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Supramolecular complex between chloranilic acid, 2,2'-bipyrimidine and water","","","- C20 H20 Cl2 N4 O4 -","- C28 H24 Cl4 N8 O12 -","- C56 H48 Cl8 N16 O24 -","2","0.25","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","Supramolecular Grid and Layer Architectures. Hydrogen Bonds and Halogen−Halogen Interactions Influenced by Bromo-, Chloro-, and Cyano-Substituted Anilic Acids","Crystal Growth & Design","2004","4","3","585","","10.1021/cg034134a","","","0.7107","MoKα","","0.0636","0.0387","","","0.0797","0.0867","","","","","","0.951","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505289","19.769","0.0019","3.7834","0.0004","24.983","0.002","90","","93.919","0.002","90","","1864.2","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Supramolecular complex between bromanilic acid, 2,2'-bipyrimidine and water","","","- C14 H16 Br2 N4 O8 -","- C14 H16 Br2 N4 O8 -","- C56 H64 Br8 N16 O32 -","4","0.5","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","Supramolecular Grid and Layer Architectures. Hydrogen Bonds and Halogen−Halogen Interactions Influenced by Bromo-, Chloro-, and Cyano-Substituted Anilic Acids","Crystal Growth & Design","2004","4","3","585","","10.1021/cg034134a","","","0.7107","MoKα","","0.0536","0.0382","","","0.0857","0.0903","","","","","","0.988","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505290","8.2681","0.0008","5.257","0.0003","15.7174","0.0009","90","","99.097","0.008","90","","674.57","0.09","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-N-(4-Methylbenzoyl)-a-methylbenzylamine","","- C16 H17 N O -","- C16 H17 N O -","- C32 H34 N2 O2 -","2","1","","Hendi, Mukta S.; Hooter, Paul; Davis, Raymond E.; Lynch, Vincent M.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates: N-(4-Methylbenzoyl)methylbenzylamine andN-(4-Nitrobenzoyl)methylbenzylamine","Crystal Growth & Design","2004","4","1","95","","10.1021/cg0341353","","","0.71073","MoKα","","0.087","0.0465","","","0.0987","0.1158","","","","","","1.011","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505291","12.332","0.001","9.731","0.001","22.926","0.001","90","","90","","90","","2751.2","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(rac)-N-(4-Methylbenzoyl)-a-methylbenzylamine","","- C16 H17 N O -","- C16 H17 N O -","- C128 H136 N8 O8 -","8","2","","Hendi, Mukta S.; Hooter, Paul; Davis, Raymond E.; Lynch, Vincent M.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates: N-(4-Methylbenzoyl)methylbenzylamine andN-(4-Nitrobenzoyl)methylbenzylamine","Crystal Growth & Design","2004","4","1","95","","10.1021/cg0341353","","","0.71073","MoKα","","0.0488","0.0336","","","0.0752","0.0866","","","","","","1.11","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505292","8.5535","0.001","9.89","0.0007","33.038","0.003","90","","90","","90","","2794.8","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(4-Nitrobenzoyl)-a-methylbenzylamine","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","2","","Hendi, Mukta S.; Hooter, Paul; Davis, Raymond E.; Lynch, Vincent M.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates: N-(4-Methylbenzoyl)methylbenzylamine andN-(4-Nitrobenzoyl)methylbenzylamine","Crystal Growth & Design","2004","4","1","95","","10.1021/cg0341353","","","0.71073","MoKα","","0.1188","0.0613","","","0.1336","0.1599","","","","","","1.061","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505293","11.885","0.0001","5.455","0.0001","40.4438","0.0006","90","","95.367","0.001","90","","2610.58","0.07","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","2","","Hendi, Mukta S.; Hooter, Paul; Davis, Raymond E.; Lynch, Vincent M.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates: N-(4-Methylbenzoyl)methylbenzylamine andN-(4-Nitrobenzoyl)methylbenzylamine","Crystal Growth & Design","2004","4","1","95","","10.1021/cg0341353","","","0.71073","MoKα","","0.0817","0.0448","","","0.0985","0.1141","","","","","","1.024","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505294","9.4413","0.0009","5.9721","0.0007","23.394","0.003","90","","93.67","0.009","90","","1316.4","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-N-(4-Methylbenzoyl)-a-methylbenzylamine/(S)-N-(4-Nitrobenzoyl)-a- methylbenzylamine","","- C31 H31 N3 O4 -","- C31 H31 N3 O4 -","- C62 H62 N6 O8 -","2","1","","Hendi, Mukta S.; Hooter, Paul; Davis, Raymond E.; Lynch, Vincent M.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates: N-(4-Methylbenzoyl)methylbenzylamine andN-(4-Nitrobenzoyl)methylbenzylamine","Crystal Growth & Design","2004","4","1","95","","10.1021/cg0341353","","","0.71073","MoKα","","0.0823","0.0467","","","0.095","0.1222","","","","","","1.038","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505295","10.301","0.003","10.301","0.003","65.44","0.03","90","","90","","120","","6014","4","273","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","Zn(besb)3.(ClO4)2","","","- C24 H54 Cl2 O14 S6 Zn -","- C24 H54 Cl2 O14 S6 Zn -","- C144 H324 Cl12 O84 S36 Zn6 -","6","0.166667","","Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He","Novel Noninterpenetrating (3,6) Topological Coordination Networks Assembled from Flexiblemeso-Bis(Sulfinyl) Bridging Ligands","Crystal Growth & Design","2004","4","2","219","","10.1021/cg0341398","","","0.71073","MoKα","","0.1204","0.0714","","","0.2037","0.2358","","","","","","1.013","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505296","10.593","0.002","10.593","0.002","49.319","0.009","90","","90","","120","","4792.7","1.6","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","Zn(bbsb).(ClO4)2.(CHCl3)","","","- C37 H79 Cl5 O14 S6 Zn -","- C37 H79 Cl5 O14 S6 Zn -","- C111 H237 Cl15 O42 S18 Zn3 -","3","0.166667","","Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He","Novel Noninterpenetrating (3,6) Topological Coordination Networks Assembled from Flexiblemeso-Bis(Sulfinyl) Bridging Ligands","Crystal Growth & Design","2004","4","2","219","","10.1021/cg0341398","","","0.71073","MoKα","","0.1605","0.0754","","","0.1475","0.1765","","","","","","1.016","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505297","10.718","0.002","45.123","0.01","19.208","0.004","90","","101.884","0.004","90","","9090","3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C98 H134 Cl4 -","- C98 H134 Cl2.802 -","- C392 H536 Cl11.208 -","4","1","","Khuong, Tinh-Alfredo V.; Zepeda, Gerardo; Ruiz, Rebecca; Khan, Saeed I.; Garcia-Garibay, Miguel A.","Molecular Compasses and Gyroscopes: Engineering Molecular Crystals with Fast Internal Rotation","Crystal Growth & Design","2004","4","1","15","","10.1021/cg034144b","","","0.71073","MoKα","","0.2799","0.1184","","","0.3018","0.3695","","","","","","1.018","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505298","16.632","0.004","10.47","0.002","17.549","0.004","90","","114.53","0.01","90","","2780.1","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 N3 O3 -","- C33 H27 N3 O3 -","- C132 H108 N12 O12 -","4","1","","Banfi, Stefano; Carlucci, Lucia; Caruso, Enrico; Ciani, Gianfranco; Proserpio, Davide M.","An Unusual Three-Dimensional Coordination Network Formed by Parallel Polycatenation of Two-Fold Interpenetrated (6,3) Layers Based on a Novel Three-Connecting Ligand","Crystal Growth & Design","2004","4","1","29","","10.1021/cg0341454","","","0.71073","MoKα","","0.1973","0.0906","","0.3204","0.235","","","","1.016","","","","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505299","30.7623","0.0019","8.6307","0.0005","25.0032","0.0015","90","","118.669","0.002","90","","5824.5","0.6","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 N3 O3.5 -","- C34 H27 N3 O3.5 -","- C272 H216 N24 O28 -","8","1","","Banfi, Stefano; Carlucci, Lucia; Caruso, Enrico; Ciani, Gianfranco; Proserpio, Davide M.","An Unusual Three-Dimensional Coordination Network Formed by Parallel Polycatenation of Two-Fold Interpenetrated (6,3) Layers Based on a Novel Three-Connecting Ligand","Crystal Growth & Design","2004","4","1","29","","10.1021/cg0341454","","","0.71073","MoKα","","0.0911","0.06","","0.1986","0.1747","","","","1.093","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505300","8.739","0.003","17.023","0.006","23.119","0.008","90","","94.077","0.009","90","","3431","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Ag F3 N3 O6.5 S -","- C34 H27 Ag F3 N3 O6.5 S -","- C136 H108 Ag4 F12 N12 O26 S4 -","4","1","","Banfi, Stefano; Carlucci, Lucia; Caruso, Enrico; Ciani, Gianfranco; Proserpio, Davide M.","An Unusual Three-Dimensional Coordination Network Formed by Parallel Polycatenation of Two-Fold Interpenetrated (6,3) Layers Based on a Novel Three-Connecting Ligand","Crystal Growth & Design","2004","4","1","29","","10.1021/cg0341454","","","0.71073","MoKα","","0.1532","0.0592","","0.196","0.1417","","","","0.967","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505301","16.898","0.002","11.011","0.001","11.022","0.003","90","","90","","90","","2050.8","0.6","212.5","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C22 H36 O5 -","- C22 H36 O5 -","- C88 H144 O20 -","4","1","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","0.7107","MoKα","","","0","","","","0.0992","","","","","","1.212","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505302","10.834","0.003","15.354","0.006","7.745","0.004","93.77","0.02","109","0.03","79.99","0.02","1199.6","0.9","213.2","","","","","","","","","","","3","P 1","P 1","1","","","","- C50 H84 O13 -","- C50 H76 O13 -","- C50 H76 O13 -","1","1","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","0.7107","MoKα","","","0.092","","","","0.2259","","","","","","1.207","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505303","11.711","0.001","15.748","0.008","10.514","0.001","101.75","0.02","113.468","0.007","105.05","0.02","1611.2","0.9","211.5","","","","","","","","","","","3","P 1","P 1","1","","","","- C70 H100 O13 -","- C70 H93 O13 -","- C70 H93 O13 -","1","1","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","0.7107","MoKα","","","0.092","","","","0.2651","","","","","","1.247","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505304","12.3553","0.0008","15.0734","0.0009","10.2995","0.0008","98.553","0.002","99.218","0.003","88.287","0.003","1872.3","0.2","198.2","","","","","","","","","","","3","P 1","P 1","1","","","","- C86 H116 O14 -","- C86 H116 O14 -","- C86 H116 O14 -","1","1","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","1.5418","CuKα","","","0.0647","","","","0.1686","","","","","","2.246","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505305","12.264","0.002","14.452","0.007","8.178","0.002","90.48","0.03","92.88","0.01","105.19","0.02","1396.7","0.8","288.2","","","","","","","","","","","3","P 1","P 1","1","","","","- C29 H48 O7 -","- C29 H48 O7 -","- C58 H96 O14 -","2","2","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","0.7107","MoKα","","","0.0515","","","","0.1228","","","","","","1.766","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505306","11.5419","0.0005","11.5419","0.0005","69.338","0.004","90","","90","","90","","9236.9","0.8","296.2","","","","","","","","","","","3","P 41","P 4w","76","","","","- C100 H168 O20 -","- C100 H168 O20 -","- C400 H672 O80 -","4","1","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","1.5418","CuKα","","","0.1715","","","","0.4185","","","","","","4.831","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505307","6.8127","0.0014","8.6378","0.0017","14.336","0.003","104.58","0.03","94.8","0.03","104.5","0.03","780.7","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","bis(isonicotinamide)-silver(I)tetraflouroborate","","- C12 H12 Ag B F4 N4 O2 -","- C12 H12 Ag B F4 N4 O2 -","- C24 H24 Ag2 B2 F8 N8 O4 -","2","1","","Bhogala, Balakrishna R.; Thallapally, Praveen K.; Nangia, Ashwini","1:2 and 1:1 Ag(I)-Isonicotinamide Coordination Compounds: Five-Fold Interpenetrated CdSO4Network and the First Example of (Pyridine)N−Ag−O(Amide) Bonds","Crystal Growth & Design","2004","4","2","215","","10.1021/cg034157p","","","0.71073","MoKα","","0.0294","0.0237","","","0.0636","0.0738","","","","","","1.173","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505308","8.118","0.004","12.011","0.013","9.315","0.009","90","","94.91","0.06","90","","904.9","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","isonicotinamide-silver(I)tetraflouroborate","","- C6 H6 Ag B F4 N2 O -","- C6 H6 Ag B F4 N2 O -","- C24 H24 Ag4 B4 F16 N8 O4 -","4","1","","Bhogala, Balakrishna R.; Thallapally, Praveen K.; Nangia, Ashwini","1:2 and 1:1 Ag(I)-Isonicotinamide Coordination Compounds: Five-Fold Interpenetrated CdSO4Network and the First Example of (Pyridine)N−Ag−O(Amide) Bonds","Crystal Growth & Design","2004","4","2","215","","10.1021/cg034157p","","","0.71073","MoKα","","0.0413","0.037","","","0.102","0.1179","","","","","","1.227","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4505309","5.7692","0.0003","7.9733","0.0004","10.1316","0.0005","79.224","0.003","89.598","0.003","81.603","0.003","452.82","0.04","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H14 N2 O2 -","- C9 H14 N2 O2 -","- C18 H28 N4 O4 -","2","1","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0835","0.0511","","","0.1004","0.1103","","","","","","1.032","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505310","6.018","0.0004","9.788","0.0007","9.934","0.0008","108.985","0.004","90.136","0.004","96.233","0.004","549.61","0.07","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H18 N2 O2 -","- C11 H18 N2 O2 -","- C22 H36 N4 O4 -","2","1","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0789","0.0492","","","0.0987","0.1104","","","","","","0.972","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505311","6.925","0.0001","7.7","0.0002","10.473","0.0002","104.648","0.0009","103.713","0.0009","91.751","0.0009","522.456","0.019","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C24 H24 N4 O4 -","2","1","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0762","0.043","","","0.0984","0.112","","","","","","1.017","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505312","5.6414","0.0004","10.0737","0.0007","8.6069","0.0006","90","","96.624","0.004","90","","485.86","0.06","90","0.2","90","0.2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C10 H16 N2 O2 -","- C10 H17 N2 O2 -","- C20 H34 N4 O4 -","2","0.5","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0715","0.0485","","","0.0992","0.1071","","","","","","1.032","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505313","5.628","0.0001","10.236","0.0002","13.268","0.0003","90","","91.112","0.0009","90","","764.2","0.03","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C38 H36 N4 O4 -","2","1","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0468","0.0395","","","0.0982","0.1035","","","","","","1.022","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505314","9.7","0.0003","7.43","0.0002","9.909","0.0004","90","","94.565","0.0013","90","","711.89","0.04","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C28 H40 N8 O8 -","4","1","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0508","0.0402","","","0.1064","0.1134","","","","","","1.045","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505315","10.535","0.002","9.0614","0.0018","8.4297","0.0017","90","","90","","90","","804.7","0.3","90","0.2","90","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","0.5","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0608","0.0413","","","0.1076","0.1175","","","","","","1.087","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505316","15.446","0.0006","9.998","0.0008","6.877","0.0014","90","","90","","90","","1062","0.2","90","0.2","90","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H14 N2 O2 -","- C13 H15 N2 O2 -","- C52 H60 N8 O8 -","4","0.5","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.1023","0.0499","","","0.095","0.1112","","","","","","0.976","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505317","11.627","0.0005","9.5935","0.0005","12.1741","0.0005","90","","117.99","0.002","90","","1199.1","0.1","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0651","0.0443","","","0.0844","0.0906","","","","","","1.067","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505318","10.525","0.0003","10.602","0.0003","11.552","0.0003","98.285","0.0011","91.303","0.0011","109.832","0.0012","1196.38","0.06","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","2","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.1104","0.0484","","","0.0974","0.1168","","","","","","0.948","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505319","14.023","0.003","10.946","0.003","17.408","0.003","90","","102.47","0.02","90","","2609","1","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C22 H32 Cu F3 N3 O4 -","- C22 H32 Cu F3 N3 O4 -","- C88 H128 Cu4 F12 N12 O16 -","4","2","","Burdukov, Alexei B.; Gladkikh, Ella A.; Nefedova, Ekaterina V.; Tronin, Andrei V.; Roshchupkina, Galina I.; Pervukhina, Natalie V.; Shvedenkov, Yuri G.; Reznikov, Vladimir A.","1-D Coordination Polymers Made of Asymmetrical Copper Nitroxide Bis-Chelates","Crystal Growth & Design","2004","4","3","595","","10.1021/cg034168i","","","0.71069","MoKα","","0.0788","0.0502","","","0.1262","0.139","","","","","","0.892","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505320","24.813","0.003","10.982","0.001","19.813","0.003","90","","109.88","0.01","90","","5077.2","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H29 Cu F3 N3 O4 -","- C21 H29 Cu F3 N3 O4 -","- C168 H232 Cu8 F24 N24 O32 -","8","1","","Burdukov, Alexei B.; Gladkikh, Ella A.; Nefedova, Ekaterina V.; Tronin, Andrei V.; Roshchupkina, Galina I.; Pervukhina, Natalie V.; Shvedenkov, Yuri G.; Reznikov, Vladimir A.","1-D Coordination Polymers Made of Asymmetrical Copper Nitroxide Bis-Chelates","Crystal Growth & Design","2004","4","3","595","","10.1021/cg034168i","","","0.71069","MoKα","","0.0827","0.0526","","","0.1242","0.1338","","","","","","0.844","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505321","14.202","0.003","11.245","0.001","16.65","0.002","90","","101.78","0.01","90","","2603","0.7","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C22 H31 Cu F3 N3 O4 -","- C22 H31 Cu F3 N3 O4 -","- C88 H124 Cu4 F12 N12 O16 -","4","2","","Burdukov, Alexei B.; Gladkikh, Ella A.; Nefedova, Ekaterina V.; Tronin, Andrei V.; Roshchupkina, Galina I.; Pervukhina, Natalie V.; Shvedenkov, Yuri G.; Reznikov, Vladimir A.","1-D Coordination Polymers Made of Asymmetrical Copper Nitroxide Bis-Chelates","Crystal Growth & Design","2004","4","3","595","","10.1021/cg034168i","","","0.71069","MoKα","","0.0642","0.0346","","","0.0815","0.0964","","","","","","0.537","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505322","20.969","0.005","22.052","0.005","37.511","0.01","81.838","0.006","76.68","0.006","87.209","0.007","16706","7","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C372 H336 N48 O78 -","- C372 H264 N48 O78 -","- C744 H528 N96 O156 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Symmetry Mismatching as a Tool in the Synthesis of Complex Supramolecular Solids with Multiple Cavities","Crystal Growth & Design","2004","4","2","211","","10.1021/cg0341914","","","0.71073","MoKα","","0.163","0.121","","","0.3147","0.3599","","","","","","1.028","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505323","39.852","0.004","38.196","0.004","15.095","0.002","90","","90","","90","","22977","5","90","1","90","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C128 H124 N12 O18 -","- C128 H88 N12 O18 -","- C1024 H704 N96 O144 -","8","1","","Ma, Bao-Qing; Coppens, Philip","Symmetry Mismatching as a Tool in the Synthesis of Complex Supramolecular Solids with Multiple Cavities","Crystal Growth & Design","2004","4","2","211","","10.1021/cg0341914","","","0.71073","MoKα","","0.3401","0.1465","","","0.3878","0.4787","","","","","","1.171","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505324","8.1657","0.0002","8.6329","0.0002","11.2093","0.0003","75.0558","0.001","85.0939","0.0011","88.4651","0.0015","760.65","0.03","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H40 Au2 N2 O8 S4 -","- C22 H40 Au2 N2 O8 S4 -","- C22 H40 Au2 N2 O8 S4 -","1","0.5","","Tzeng, Biing-Chiau; Liu, Wei-Hsin; Liao, Ju-Hsiou; Lee, Gene-Hsiang; Peng, Shie-Ming","Self-Assembly of Gold(I) Compounds with (Aza-15-crown-5)dithiocarbamate and 2-Mercapto-4-methyl-5-thiazoleacetic Acid","Crystal Growth & Design","2004","4","3","573","","10.1021/cg034198l","","","0.71073","MoKα","","0.0565","0.0427","","","0.1013","0.1157","","","","","","1.079","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505325","14.3972","0.0009","14.3972","0.0009","26.008","0.003","90","","90","","90","","5390.9","0.8","273","2","273","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C9 H13 Au N2 O3 S2 -","- C9 H13 Au N2 O3 S2 -","- C144 H208 Au16 N32 O48 S32 -","16","1","","Tzeng, Biing-Chiau; Liu, Wei-Hsin; Liao, Ju-Hsiou; Lee, Gene-Hsiang; Peng, Shie-Ming","Self-Assembly of Gold(I) Compounds with (Aza-15-crown-5)dithiocarbamate and 2-Mercapto-4-methyl-5-thiazoleacetic Acid","Crystal Growth & Design","2004","4","3","573","","10.1021/cg034198l","","","0.71073","MoKα","","0.0622","0.036","","","0.0833","0.0892","","","","","","0.896","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505326","6.7305","0.0018","14.029","0.004","6.2309","0.0016","90","","116.368","0.004","90","","527.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C16 H16 N8 O12 -","4","1","","Lewis, Thomas C.; Tocher, Derek A.; Price, Sarah L.","An Experimental and Theoretical Search for Polymorphs of Barbituric Acid: The Challenges of Even Limited Conformational Flexibility","Crystal Growth & Design","2004","4","5","979","","10.1021/cg034209a","","","0.71073","MoKα","","0.0455","0.0394","","","0.0981","0.1017","","","","","","1.097","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505327","8.0828","0.0011","12.5828","0.0016","9.7644","0.0013","90","","96.15","0.002","90","","987.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C32 H32 N16 O24 -","8","2","","Lewis, Thomas C.; Tocher, Derek A.; Price, Sarah L.","An Experimental and Theoretical Search for Polymorphs of Barbituric Acid: The Challenges of Even Limited Conformational Flexibility","Crystal Growth & Design","2004","4","5","979","","10.1021/cg034209a","","","0.71073","MoKα","","0.0717","0.056","","","0.1234","0.1301","","","","","","1.099","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505328","8.0309","0.0014","11.98","0.002","7.8139","0.0013","90","","107.038","0.003","90","","718.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N2 O3 -","- C7 H8 N2 O3 -","- C28 H32 N8 O12 -","4","1","","Lewis, Thomas C.; Tocher, Derek A.; Price, Sarah L.","An Experimental and Theoretical Search for Polymorphs of Barbituric Acid: The Challenges of Even Limited Conformational Flexibility","Crystal Growth & Design","2004","4","5","979","","10.1021/cg034209a","","","0.71073","MoKα","","0.0826","0.0651","","","0.1379","0.147","","","","","","1.08","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505329","12.77","0.001","9.931","0.001","15.56","0.001","90","0.01","107.95","0.01","90","0.01","1877.3","0.3","298","","","","","","","","","","","6","P 1 21 1","P 2yb","4","Piperidine anhydrate","4-(2,6-difluoro-4-{(5R)-5-[(3-isoxazolyl]-2-oxo-1,3- oxazolan-3-yl}phenyl)-1,2,3,6-tetrahydropyridinium chloride","","- C18 H18 Cl F2 N3 O4 -","- C18 H18 Cl F2 N3 O4 -","- C72 H72 Cl4 F8 N12 O16 -","4","2","","Black, Simon N.; Cuthbert, Murray W.; Roberts, Ron J.; Stensland, Birgitta","Increased Chemical Purity Using a Hydrate","Crystal Growth & Design","2004","4","3","539","","10.1021/cg034222v","","","0.71073","MoKα","","0.07","0.036","","0.106","0.046","","","","1.817","1.069","1.069","1.069","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505330","21.675","0.001","5.897","0.001","16.129","0.001","90","0.01","115.1","0.01","90","0.01","1866.9","0.4","200","","","","","","","","","","","6","C 1 2 1","C 2y","5","Piperidine Hydrate","4-(2,6-difluoro-4-{(5R)-5-[(3-isoxazolyl]-2-oxo-1,3- oxazolan-3-yl}phenyl)-1,2,3,6-tetrahydropyridinium chloride monohydrate","","- C18 H21 Cl F2 N3 O5 -","- C18 H21 Cl F2 N3 O5 -","- C72 H84 Cl4 F8 N12 O20 -","4","1","","Black, Simon N.; Cuthbert, Murray W.; Roberts, Ron J.; Stensland, Birgitta","Increased Chemical Purity Using a Hydrate","Crystal Growth & Design","2004","4","3","539","","10.1021/cg034222v","","","0.71073","MoKα","","0.061","0.041","","0.069","0.059","","","","1.714","1.435","1.435","1.435","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505331","7.1933","0.0018","9.374","0.002","9.9","0.002","87.55","0.004","68.912","0.004","78.787","0.004","610.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H9 Ag3 N2 O8 -","- C5 H9 Ag3 N2 O8 -","- C10 H18 Ag6 N4 O16 -","2","1","","Yang, Jin-Hua; Zheng, Shao-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","Syntheses, Structures, and Photoluminescent Properties of Three Silver(I) Cluster-Based Coordination Polymers with Heteroaryldicarboxylate","Crystal Growth & Design","2004","4","4","831","","10.1021/cg0342258","","","0.71073","MoKα","","0.0531","0.0413","","","0.1014","0.1069","","","","","","0.99","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505332","7.6856","0.0003","7.6856","0.0003","11.9467","0.001","90","","90","","90","","705.67","0.07","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C6 H2 Ag2 N2 O4 -","- C6 H2 Ag2 N2 O4 -","- C24 H8 Ag8 N8 O16 -","4","1","","Yang, Jin-Hua; Zheng, Shao-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","Syntheses, Structures, and Photoluminescent Properties of Three Silver(I) Cluster-Based Coordination Polymers with Heteroaryldicarboxylate","Crystal Growth & Design","2004","4","4","831","","10.1021/cg0342258","","","0.71073","MoKα","","0.0201","0.0197","","","0.0475","0.0476","","","","","","1.086","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505333","7.705","0.002","16.246","0.003","7.291","0.001","90","","115.19","0.03","90","","825.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Ag2 N2 O5 -","- C6 H4 Ag2 N2 O5 -","- C24 H16 Ag8 N8 O20 -","4","1","","Yang, Jin-Hua; Zheng, Shao-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","Syntheses, Structures, and Photoluminescent Properties of Three Silver(I) Cluster-Based Coordination Polymers with Heteroaryldicarboxylate","Crystal Growth & Design","2004","4","4","831","","10.1021/cg0342258","","","0.71073","MoKα","","0.0766","0.0661","","","0.1344","0.1375","","","","","","1.284","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505334","9.6455","0.0005","10.9229","0.0007","11.9761","0.0015","90","","112.932","0.007","90","","1162.04","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C48 H52 N12 O8 -","4","1","","Banerjee, Subarna; Murugavel, Ramaswamy","Formation of One-Dimensional Water Inside an Organic Solid: Supramolecular Architectures Derived by the Interaction of Aminobenzoic Acids with Nitrogen Bases and H2SO4†","Crystal Growth & Design","2004","4","3","545","","10.1021/cg034229c","","","0.71073","MoKα","","0.0596","0.0363","","","0.0982","0.1093","","","","","","1.028","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505335","14.295","0.0009","11.766","0.0007","9.813","0.0014","90","0.008","116.214","0.007","90","0.005","1480.7","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H23 N3 O4 -","- C13 H23 N3 O4 -","- C52 H92 N12 O16 -","4","1","","Banerjee, Subarna; Murugavel, Ramaswamy","Formation of One-Dimensional Water Inside an Organic Solid: Supramolecular Architectures Derived by the Interaction of Aminobenzoic Acids with Nitrogen Bases and H2SO4†","Crystal Growth & Design","2004","4","3","545","","10.1021/cg034229c","","","0.71073","MoKα","","0.0943","0.0492","","","0.124","0.1448","","","","","","1.067","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505336","7.47","0.001","11.128","0.001","22.552","0.002","85.075","0.007","88.712","0.009","72.509","0.008","1781.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 N4 Na0 O21 S3 -","- C28 H36 N4 O21 S3 -","- C56 H72 N8 O42 S6 -","2","1","","Banerjee, Subarna; Murugavel, Ramaswamy","Formation of One-Dimensional Water Inside an Organic Solid: Supramolecular Architectures Derived by the Interaction of Aminobenzoic Acids with Nitrogen Bases and H2SO4†","Crystal Growth & Design","2004","4","3","545","","10.1021/cg034229c","","","0.71073","MoKα","","0.1103","0.0573","","","0.1453","0.1699","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505337","21.6736","0.0007","8.7163","0.0003","14.5737","0.0005","90","","90","","90","","2753.17","0.16","161","2","161","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H19 Ag B11 F11 -","- C21 H19 Ag B11 F11 -","- C84 H76 Ag4 B44 F44 -","4","1","","Ivanov, Sergei V.; Miller, Susie M.; Anderson, Oren P.; Strauss, Steven H.","Structure of Ag(CHPh3)(1-Me-CB11F11). Trigonal-Planar Ag(Arene)3+Cations, Polymeric {Ag(CHPh3)+}∞Triangular-Net Layers, and Partially Aligned Interstitial Carborane Anions in a Polar Crystal","Crystal Growth & Design","2004","4","2","249","","10.1021/cg034230b","","","0.71073","MoKα","","0.1198","0.0709","","","0.1058","0.1211","","","","","","1.078","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505338","16.571","0.003","26.888","0.005","17.525","0.003","90","","90","","90","","7808","2","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C312 H368 Cl16 Mn8 N48 O16 -","- C39 H42 Cl2 Mn N6 O2 -","- C312 H336 Cl16 Mn8 N48 O16 -","8","0.5","","Ghosh, A. K.; Ghoshal, D.; Lu, T.-H.; Mostafa, G.; Chaudhuri, N. Ray","Novel Solid-State Molecular Self-Assemblies of Manganese (II) Constructed with Flexible Ligands: Influences of π−π and C−H···π Interactions on Their Crystal Packing","Crystal Growth & Design","2004","4","4","851","","10.1021/cg034238l","","","0.71073","MoKα","","0.2683","0.0723","","","0.096","0.1292","","","","","","0.856","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505339","10.0367","0.0009","11.7471","0.001","19.6587","0.0017","100.199","0.002","96.287","0.002","93.394","0.002","2260.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 Mn N12 O6 S6 -","- C34 H36 Mn N12 O6 S6 -","- C68 H72 Mn2 N24 O12 S12 -","2","1","","Ghosh, A. K.; Ghoshal, D.; Lu, T.-H.; Mostafa, G.; Chaudhuri, N. Ray","Novel Solid-State Molecular Self-Assemblies of Manganese (II) Constructed with Flexible Ligands: Influences of π−π and C−H···π Interactions on Their Crystal Packing","Crystal Growth & Design","2004","4","4","851","","10.1021/cg034238l","","","0.71073","MoKα","","0.1213","0.058","","","0.0929","0.1063","","","","","","0.953","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505340","18.907","0.002","14.565","0.003","21.414","0.004","90","","90","","90","","5897","1.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Co3 Na O25.5 -","- C18 H32 Co3 Na O25.5 -","- C144 H256 Co24 Na8 O204 -","8","1","","Cheng, Deping; Khan, Masood A.; Houser, Robert P.","Structural Variability of Cobalt(II) Coordination Polymers: Three Polymorphs of Co3(TMA)2[TMA = Trimesate, C6H3(COO)33-]","Crystal Growth & Design","2004","4","3","599","","10.1021/cg0342415","","","0.71073","MoKα","","0.0562","0.0402","","","0.1017","0.1103","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505341","6.6542","0.0005","10.7114","0.0007","12.3565","0.0007","99.008","0.004","102.553","0.006","107.344","0.007","797.08","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H42 Co3 O30 -","- C18 H42 Co3 O30 -","- C18 H42 Co3 O30 -","1","0.5","","Cheng, Deping; Khan, Masood A.; Houser, Robert P.","Structural Variability of Cobalt(II) Coordination Polymers: Three Polymorphs of Co3(TMA)2[TMA = Trimesate, C6H3(COO)33-]","Crystal Growth & Design","2004","4","3","599","","10.1021/cg0342415","","","0.71073","MoKα","","0.0386","0.03","","","0.0752","0.0794","","","","","","1.024","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505342","7.9231","0.0012","13.894","0.002","7.9231","0.0012","90","","114.48","","90","","793.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Metformin HCl form I","N,N-Dimethylimidodicarbonimidic diamide hydrochloride","","- C4 H12 Cl N5 -","- C4 H12 Cl N5 -","- C16 H48 Cl4 N20 -","4","1","","Childs, Scott L.; Chyall, Leonard J.; Dunlap, Jeanette T.; Coates, David A.; Stahly, Barbara C.; Stahly, G. Patrick","A Metastable Polymorph of Metformin Hydrochloride: Isolation and Characterization Using Capillary Crystallization and Thermal Microscopy Techniques","Crystal Growth & Design","2004","4","3","441","","10.1021/cg034243p","","","0.71073","MoKα","","0.0445","0.0354","","","0.0763","0.0781","","","","","","1.078","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505343","7.6261","0.0007","6.1684","0.0006","18.1508","0.0016","90","","99.447","0.002","90","","842.25","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Metformin HCl form II","N,N-Dimethylimidodicarbonimidic diamide hydrochloride","","- C4 H12 Cl N5 -","- C4 H12 Cl N5 -","- C16 H48 Cl4 N20 -","4","1","","Childs, Scott L.; Chyall, Leonard J.; Dunlap, Jeanette T.; Coates, David A.; Stahly, Barbara C.; Stahly, G. Patrick","A Metastable Polymorph of Metformin Hydrochloride: Isolation and Characterization Using Capillary Crystallization and Thermal Microscopy Techniques","Crystal Growth & Design","2004","4","3","441","","10.1021/cg034243p","","","0.71073","MoKα","","0.0745","0.0597","","","0.1321","0.139","","","","","","1.173","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505344","16.0707","0.0015","9.014","0.001","16.252","0.002","90","","90.127","0.008","90","","2354.3","0.4","293","","293","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C22 H16 Cl2 Hg Mn N6 -","- C22 H16 Cl2 Hg Mn N6 -","- C88 H64 Cl8 Hg4 Mn4 N24 -","4","0.5","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.7093","MoKα","","","0.0197","","","","0.0252","","","","","","1.0768","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4505345","15.998","0.005","8.853","0.003","18.797","0.008","90","","107.42","0.03","90","","2540.1","1.6","293","","293","","","","","","","","?","6","P 1 2/n 1","-P 2yac","13","","","","- C26 H16 Cl2 Hg Mn N6 -","- C26 H16 Cl2 Hg Mn N6 -","- C104 H64 Cl8 Hg4 Mn4 N24 -","4","1","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","1.5418","CuKα","","","0.0635","","","","0.0643","","","","","","1.4414","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505346","22.521","0.015","8.887","0.007","16.147","0.012","90","","135.47","0.04","90","","2266","3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl2 Hg N6 Ni -","- C22 H16 Cl2 Hg N6 Ni -","- C88 H64 Cl8 Hg4 N24 Ni4 -","4","0.5","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","1.5418","CuKα","","","0.0473","","","","0.0602","","","","","","1.3465","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4505347","8.088","0.002","8.742","0.002","17.763","0.006","90","","97.08","0.02","90","","1246.4","0.6","293","","293","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C26 H16 Cl2 Hg N6 Ni -","- C26 H16 Cl2 Hg N6 Ni -","- C52 H32 Cl4 Hg2 N12 Ni2 -","2","0.5","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","1.5418","CuKα","","","0.0366","","","","0.0445","","","","","","0.9995","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4505348","7.3434","0.0009","9.51","0.001","13.3533","0.0017","85.57","0.01","82.47","0.01","87.594","0.008","921.25","0.19","293","","293","","","","","","","","?","6","P -1","-P 1","2","","","","- C17 H11 Cl2 Cu Hg N5 -","- C17 H11 Cl2 Cu Hg N5 -","- C34 H22 Cl4 Cu2 Hg2 N10 -","2","1","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.7093","MoKα","","","0.0174","","","","0.0222","","","","","","1.319","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505349","10.339","0.002","10.911","0.002","12.723","0.003","69.811","0.017","77.55","0.02","82.228","0.018","1312.5","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H32 Cl4 Cu2 Hg3 N14 -","- C54 H32 Cl4 Cu2 Hg3 N14 -","- C54 H32 Cl4 Cu2 Hg3 N14 -","1","0.5","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.71073","MoKα","","","0.0306","","","","0.0345","","","","","","1.4479","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4505350","15.7274","0.0018","8.6102","0.0008","19.2642","0.0017","90","","97.735","0.008","90","","2584.9","0.4","293","","293","","","","","","","","?","6","A 1 2/a 1","-A 2ya","15","","","","- C6 H13 Cl2 Cu Hg N5 -","- C6 H13 Cl2 Cu Hg N5 -","- C48 H104 Cl16 Cu8 Hg8 N40 -","8","1","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.71073","MoKα","","","0.022","","","","0.0269","","","","","","1.2321","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505351","7.837","0.002","17.148","0.002","14.423","0.002","90","","95.67","0.02","90","","1928.8","0.6","293","","293","","","","","","","","?","6","P 1 21/a 1","-P 2yab","14","","","","- C9.02 H18 Cl2.98 Cu Hg2 N7.02 -","- C9.023 H18 Cl2.977 Cu Hg2 N7.023 -","- C36.092 H72 Cl11.908 Cu4 Hg8 N28.092 -","4","1","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.7093","MoKα","","","0.0353","","","","0.0329","","","","","","1.4333","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505352","22.358","0.003","22.358","","8.1101","0.0013","90","","90","","90","","4054.1","0.8","293","","293","","","","","","","","?","6","P -4 21 c","P -4 2n","114","","","","- C10 H18 Cl2.5 Hg2.25 N8 Ni -","- C40 H72 Cl10 Hg9 N32 Ni4 -","- C80 H144 Cl20 Hg18 N64 Ni8 -","2","0.25","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.7093","MoKα","","","0.0461","","","","0.0508","","","","","","4.8799","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505353","13.9104","0.0004","17.0365","0.0002","20.815","0.0005","90","","90","","90","","4932.83","0.19","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyltriphenylphosphonium tris(dicyanamido)ferrate(II)","","- C25 H18 Fe N9 P -","- C25 H18 Fe N9 P -","- C200 H144 Fe8 N72 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.112","0.0537","","","0.0737","0.0852","","","","","","0.993","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505354","13.8718","0.0002","16.9489","0.0002","20.772","0.0003","90","","90","","90","","4883.74","0.12","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyltriphenylphosphonium tris(dicyanamido)cobaltate(II)","","- C25 H18 Co N9 P -","- C25 H18 Co N9 P -","- C200 H144 Co8 N72 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.0658","0.0387","","","0.0609","0.067","","","","","","1.023","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505355","13.8039","0.0003","16.8679","0.0002","20.7639","0.0006","90","","90","","90","","4834.72","0.18","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyltriphenylphosphonium tris(dicyanamido)nickelate(II)","","- C25 H18 N9 Ni P -","- C25 H18 N9 Ni P -","- C200 H144 N72 Ni8 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.1388","0.0639","","","0.0672","0.079","","","","","","0.978","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505356","14.3759","0.0001","16.9055","0.0001","21.6345","0.0002","90","","90","","90","","5257.87","0.07","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyltriphenylphosphonium tris(dicyanamido)mangenate(II)","","- C26 H20 Mn N9 P -","- C26 H20 Mn N9 P -","- C208 H160 Mn8 N72 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.0409","0.031","","","0.0639","0.0673","","","","","","1.022","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505357","14.2228","0.0002","16.705","0.0001","21.602","0.0003","90","","90","","90","","5132.46","0.11","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyltriphenylphosphonium tris(dicyanamido)cobaltate(II)","","- C26 H20 Co N9 P -","- C26 H20 Co N9 P -","- C208 H160 Co8 N72 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.0856","0.06","","","0.0698","0.0738","","","","","","1.087","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505358","14.1192","0.0001","16.6545","0.0001","21.5833","0.0002","90","","90","","90","","5075.27","0.07","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyltriphenylphosphonium tris(dicyanamido)nickelate(II)","","- C26 H20 N9 Ni P -","- C26 H20 N9 Ni P -","- C208 H160 N72 Ni8 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.0672","0.0446","","","0.0636","0.0685","","","","","","1.021","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505359","16.6488","0.001","19.0749","0.0011","21.5917","0.0013","90.344","0.002","105.864","0.002","96.447","0.002","6549.3","0.7","110","2","110","2","","","","","","","","4","P -1","-P 1","2","[60]fullerene ZnTPP TPyP clathrate","[60]fullerene zinc tetraphenylporphyrinate tetra(4-pyridyl)porphyrine clathrate","","- C180.25 H77.75 N13.75 Zn2 -","- C180.25 H77.75 N13.75 Zn2 -","- C360.5 H155.5 N27.5 Zn4 -","2","1","","Konarev, Dmitri V.; Litvinov, Alexey L.; Neretin, Ivan S.; Drichko, Natalia V.; Slovokhotov, Yury L.; Lyubovskaya, Rimma N.; Howard, Judith A. K.; Yufit, D. S.","Formation of Coordination Porphyrin Pentamers in New Supramolecular Complex of Fullerene: {(ZnTPP)4·4-TPyP}·(C60)2·(C6H5CN)3.5","Crystal Growth & Design","2004","4","4","643","","10.1021/cg034259f","","","0.71073","MoKα","","0.2379","0.0842","","0.2666","0.1959","","","","0.868","1.251","1.251","","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505360","5.9262","0.0006","22.095","0.002","19.9471","0.0019","90","","91.569","0.002","90","","2610.9","0.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 O4 S -","- C33 H28 O4 S -","- C132 H112 O16 S4 -","4","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Characterization of Pseudopolymorphs of a Hydroxybenzoic Acid Derivative","Crystal Growth & Design","2004","4","6","1403","","10.1021/cg0496890","","","0.71073","MoKα","","0.0934","0.0642","","","0.1339","0.1454","","","","","","1.048","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505361","15.2949","0.0008","16.3926","0.0008","18.4924","0.001","102.875","0.001","101.539","0.001","109.65","0.001","4061.3","0.4","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H28 O4 S -","- C33 H28 O4 S -","- C198 H168 O24 S6 -","6","3","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Characterization of Pseudopolymorphs of a Hydroxybenzoic Acid Derivative","Crystal Growth & Design","2004","4","6","1403","","10.1021/cg0496890","","","0.71073","MoKα","","0.1213","0.0753","","","0.1895","0.2132","","","","","","1.046","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505362","6.4563","0.0003","14.5436","0.0007","16.4454","0.0008","66.106","0.001","85.282","0.001","77.955","0.001","1380.76","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H27 N O3 -","- C36 H27 N O3 -","- C72 H54 N2 O6 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Characterization of Pseudopolymorphs of a Hydroxybenzoic Acid Derivative","Crystal Growth & Design","2004","4","6","1403","","10.1021/cg0496890","","","0.71073","MoKα","","0.0769","0.0592","","","0.165","0.1782","","","","","","1.046","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505363","8.753","0.004","8.89","0.004","10.83","0.005","85.44","0.04","69.76","0.03","63.65","0.03","705.8","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C28 H34 N6 S2 -","2","1","","Timofeeva, Tatiana V.; Kinnibrugh, Tiffany; Borbulevych, Oleg Ya.; Averkiev, Boris B.; Nesterov, Vladimir N.; Sloan, Andreanne; Antipin, Mikhail Yu.","Vanishing Polymorphism of (2E)-2-Cyano-3-[4-(Diethylamino)phenyl]prop-2-enethioamide: X-ray Structural Study and Polymorph Prediction","Crystal Growth & Design","2004","4","6","1265","","10.1021/cg0497647","","","0.71073","MoKα","","0.0567","0.0367","","","0.0955","0.1001","","","","","","1.019","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505364","9.167","0.0018","13.023","0.003","12.172","0.002","90","","93.97","0.03","90","","1449.6","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C56 H68 N12 S4 -","4","1","","Timofeeva, Tatiana V.; Kinnibrugh, Tiffany; Borbulevych, Oleg Ya.; Averkiev, Boris B.; Nesterov, Vladimir N.; Sloan, Andreanne; Antipin, Mikhail Yu.","Vanishing Polymorphism of (2E)-2-Cyano-3-[4-(Diethylamino)phenyl]prop-2-enethioamide: X-ray Structural Study and Polymorph Prediction","Crystal Growth & Design","2004","4","6","1265","","10.1021/cg0497647","","","0.71073","MoKα","","0.0611","0.0389","","","0.106","0.1196","","","","","","1.028","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505365","39.37","0.008","8.88","0.0018","17.056","0.003","90","","101.19","0.03","90","","5850","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H71 N13 S4 -","- C58 H71 N13 S4 -","- C232 H284 N52 S16 -","4","0.5","","Timofeeva, Tatiana V.; Kinnibrugh, Tiffany; Borbulevych, Oleg Ya.; Averkiev, Boris B.; Nesterov, Vladimir N.; Sloan, Andreanne; Antipin, Mikhail Yu.","Vanishing Polymorphism of (2E)-2-Cyano-3-[4-(Diethylamino)phenyl]prop-2-enethioamide: X-ray Structural Study and Polymorph Prediction","Crystal Growth & Design","2004","4","6","1265","","10.1021/cg0497647","","","0.71073","MoKα","","0.1502","0.0505","","","0.1192","0.1495","","","","","","0.991","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505366","12.684","0.002","12.704","0.004","20.572","0.004","102.71","0.02","103.947","0.015","91.35","0.02","3128.1","1.3","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","tris (5-acetyl-3-thienyl) methane (TATM) /1,3-dichloropropane inclusion compound ?","","- C61.5 H57 Cl3 O9 S9 -","- C61.5 H57 Cl3 O9 S9 -","- C123 H114 Cl6 O18 S18 -","2","1","","Sidhu, Paul S.; Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Polymorphism and Structure in a Pentamorphic Guest−Host Material: The Tris(5-acetyl-3-thienyl) Methane (TATM) Inclusion Compound with 1,3-Dichloropropane","Crystal Growth & Design","2004","4","6","1249","","10.1021/cg049765z","","","0.71073","MoKα","","0.0672","0.0483","","","0.123","0.1353","","","","","","1.013","","","","has coordinates,has disorder","301842","2025-08-21","00:37:15",""
"4505367","14.3192","0.0013","13.4991","0.0012","22.328","0.002","90","","104.081","0.002","90","","4186.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tris (5-acetyl-3-thienyl) methane (TATM) /1,3-dichloropropane inclusion compound ?","","- C20.5 H19 Cl O3 S3 -","- C20.5 H19 Cl O3 S3 -","- C164 H152 Cl8 O24 S24 -","8","2","","Sidhu, Paul S.; Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Polymorphism and Structure in a Pentamorphic Guest−Host Material: The Tris(5-acetyl-3-thienyl) Methane (TATM) Inclusion Compound with 1,3-Dichloropropane","Crystal Growth & Design","2004","4","6","1249","","10.1021/cg049765z","","","0.71073","MoKα","","0.1252","0.0559","","","0.1235","0.149","","","","","","0.918","","","","has coordinates,has disorder","301842","2025-08-21","00:37:15",""
"4505368","12.731","0.006","12.762","0.006","25.937","0.012","90","","93.877","0.008","90","","4204","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tris (5-acetyl-3-thienyl) methane (TATM) /1,3-dichloropropane inclusion compound ?","","- C41 H38 Cl2 O6 S6 -","- C41 H38 Cl2 O6 S6 -","- C164 H152 Cl8 O24 S24 -","4","1","","Sidhu, Paul S.; Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Polymorphism and Structure in a Pentamorphic Guest−Host Material: The Tris(5-acetyl-3-thienyl) Methane (TATM) Inclusion Compound with 1,3-Dichloropropane","Crystal Growth & Design","2004","4","6","1249","","10.1021/cg049765z","","","0.71073","MoKα","","0.0966","0.0569","","","0.1289","0.1503","","","","","","1.028","","","","has coordinates,has disorder","301842","2025-08-21","00:37:15",""
"4505369","12.715","0.003","12.723","0.003","13.893","0.003","90","","109.967","0.004","90","","2112.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris (5-acetyl-3-thienyl) methane (TATM) /1,3-dichloropropane inclusion compound ?","","- C20.5 H19 Cl O3 S3 -","- C20.5 H19 Cl O3 S3 -","- C82 H76 Cl4 O12 S12 -","4","1","","Sidhu, Paul S.; Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Polymorphism and Structure in a Pentamorphic Guest−Host Material: The Tris(5-acetyl-3-thienyl) Methane (TATM) Inclusion Compound with 1,3-Dichloropropane","Crystal Growth & Design","2004","4","6","1249","","10.1021/cg049765z","","","0.71073","MoKα","","0.1127","0.0522","","","0.1036","0.1217","","","","","","0.932","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505370","17.5","0.002","18.465","0.003","14.982","0.002","90","","119.428","0.002","90","","4216.6","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tris (5-acetyl-3-thienyl) methane (TATM) /1,3-dichloropropane inclusion compound ?","","- C20.5 H19 Cl O3 S3 -","- C20.5 H19 Cl O3 S3 -","- C164 H152 Cl8 O24 S24 -","8","1","","Sidhu, Paul S.; Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Polymorphism and Structure in a Pentamorphic Guest−Host Material: The Tris(5-acetyl-3-thienyl) Methane (TATM) Inclusion Compound with 1,3-Dichloropropane","Crystal Growth & Design","2004","4","6","1249","","10.1021/cg049765z","","","0.71073","MoKα","","0.0875","0.0483","","","0.1119","0.1251","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505371","4.6696","0.0004","11.9275","0.001","15.883","0.0014","88.521","0.001","87.475","0.001","80.675","0.001","871.94","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 F3 N3 O3 -","- C18 H18 F3 N3 O3 -","- C36 H36 F6 N6 O6 -","2","1","","Coste, Servane; Schneider, Jean-Marie; Petit, Marie-Noëlle; Coquerel, Gérard","Pleconaril Polymorphs: Crystal Structures of Form I and Form III, Evidence of the Enantiotropy, and Assessment of the Structural Purity","Crystal Growth & Design","2004","4","6","1237","","10.1021/cg049766r","","","0.71073","MoKα","","0.0419","0.0379","","","0.1037","0.1069","","","","","","1.079","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505372","9.2526","0.0005","21.0339","0.0011","9.6352","0.0005","90","","101.524","0.001","90","","1837.38","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F3 N3 O3 -","- C18 H18 F3 N3 O3 -","- C72 H72 F12 N12 O12 -","4","1","","Coste, Servane; Schneider, Jean-Marie; Petit, Marie-Noëlle; Coquerel, Gérard","Pleconaril Polymorphs: Crystal Structures of Form I and Form III, Evidence of the Enantiotropy, and Assessment of the Structural Purity","Crystal Growth & Design","2004","4","6","1237","","10.1021/cg049766r","","","0.71073","MoKα","","0.0385","0.0342","","","0.0928","0.0955","","","","","","1.073","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505373","9.4044","0.0005","21.0539","0.0011","9.9067","0.0005","90","","102.969","0.001","90","","1911.48","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F3 N3 O3 -","- C18 H18 F3 N3 O3 -","- C72 H72 F12 N12 O12 -","4","1","","Coste, Servane; Schneider, Jean-Marie; Petit, Marie-Noëlle; Coquerel, Gérard","Pleconaril Polymorphs: Crystal Structures of Form I and Form III, Evidence of the Enantiotropy, and Assessment of the Structural Purity","Crystal Growth & Design","2004","4","6","1237","","10.1021/cg049766r","","","0.71073","MoKα","","0.0875","0.0651","","","0.1976","0.2138","","","","","","1.113","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505374","4.8343","0.0009","11.984","0.002","16.206","0.003","89.447","0.003","88.427","0.003","81.715","0.003","928.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 F3 N3 O3 -","- C18 H18 F3 N3 O3 -","- C36 H36 F6 N6 O6 -","2","1","","Coste, Servane; Schneider, Jean-Marie; Petit, Marie-Noëlle; Coquerel, Gérard","Pleconaril Polymorphs: Crystal Structures of Form I and Form III, Evidence of the Enantiotropy, and Assessment of the Structural Purity","Crystal Growth & Design","2004","4","6","1237","","10.1021/cg049766r","","","0.71073","MoKα","","0.0771","0.0586","","","0.1783","0.1912","","","","","","1.059","","","","has coordinates,has disorder","301842","2025-08-21","00:37:15",""
"4505375","10.8118","0.0002","6.3556","0.0001","32.0901","0.0007","90","","99.259","0.002","90","","2176.36","0.07","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 O4 -","- C25 H30 O4 -","- C100 H120 O16 -","4","1","","Kumar, V. S. Senthil; Sheela, K. C.; Nair, Vijay; Rath, Nigam P.","Concomitant Polymorphism in a Spirobicyclic Dione","Crystal Growth & Design","2004","4","6","1245","","10.1021/cg0497748","","","0.71073","MoKα","","0.0774","0.0496","","","0.1137","0.1266","","","","","","1.03","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505376","14.7437","0.0002","9.6022","0.0001","15.4922","0.0002","90","","92.317","0.001","90","","2191.47","0.05","213","2","213","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 O4 -","- C25 H30 O4 -","- C100 H120 O16 -","4","1","","Kumar, V. S. Senthil; Sheela, K. C.; Nair, Vijay; Rath, Nigam P.","Concomitant Polymorphism in a Spirobicyclic Dione","Crystal Growth & Design","2004","4","6","1245","","10.1021/cg0497748","","","0.71073","MoKα","","0.0917","0.0498","","","0.1003","0.1155","","","","","","1.02","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505377","7.237","0.003","8.2557","0.0017","9.78","0.003","90","","111.03","0.02","90","","545.4","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Copperpyroarsenate","Copper(II) diarsenate(V)","","- As2 Cu2 O7 -","- As2 Cu2 O7 -","- As8 Cu8 O28 -","4","0.5","","Weil, Matthias; Lengauer, Christian; Füglein, Ekkehard; Baran, Enrique J.","The Reversible α →β Phase Transition of Cu2As2O7","Crystal Growth & Design","2004","4","6","1229","","10.1021/cg049782o","","","0.71073","MoKα","","0.0287","0.0278","","","0.0749","0.0755","","","","","","1.169","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505378","7.0987","0.0003","8.2777","0.0004","4.8666","0.0002","90","","110.206","0.004","90","","268.37","0.02","673","5","673","5","","","","","","","","3","C 1 2/m 1","-C 2y","12","beta-copper arsenate","beta-copper(II) pyroarsenate","","- As2 Cu2 O7 -","- As2 Cu2 O7 -","- As4 Cu4 O14 -","2","0.25","","Weil, Matthias; Lengauer, Christian; Füglein, Ekkehard; Baran, Enrique J.","The Reversible α →β Phase Transition of Cu2As2O7","Crystal Growth & Design","2004","4","6","1229","","10.1021/cg049782o","powder diffraction","","1.54056","CuKα","","","","","","","","","0.106","","","","","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505379","8.849","0.003","11.27","0.004","14.816","0.005","90.586","0.019","84.037","0.019","70.934","0.018","1387.4","0.8","165","2","165","2","","","","","","","","5","P -1","-P 1","2","1,3,5-tris(4-cyanobenzoyl)benzene","1,3,5-tris(4-cyanobenzoyl)benzene","","- C32 H21 N3 O4 S -","- C32 H21 N3 O4 S -","- C64 H42 N6 O8 S2 -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism and Pseudopolymorphism in the Triaroylbenzene Derivative 1,3,5-Tris(4-cyanobenzoyl)benzene","Crystal Growth & Design","2004","4","6","1217","","10.1021/cg049792p","","","0.71073","MoKα","","0.1319","0.0878","","","0.2328","0.2568","","","","","","1.05","","","","has coordinates,has disorder","301842","2025-08-21","00:37:15",""
"4505380","8.7066","0.0004","11.2103","0.0005","14.6563","0.0007","89.465","0.002","85.759","0.002","72.136","0.002","1357.68","0.11","165","2","165","2","","","","","","","","4","P -1","-P 1","2","1,3,5-tris(4-cyanobenzoyl)benzene","1,3,5-tris(4-cyanobenzoyl)benzene","","- C33 H21 N3 O4 -","- C33 H21 N3 O4 -","- C66 H42 N6 O8 -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism and Pseudopolymorphism in the Triaroylbenzene Derivative 1,3,5-Tris(4-cyanobenzoyl)benzene","Crystal Growth & Design","2004","4","6","1217","","10.1021/cg049792p","","","0.71073","MoKα","","0.0913","0.0592","","","0.1593","0.1718","","","","","","1.019","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505381","8.9408","0.0003","11.3356","0.0004","14.3226","0.0006","89.952","0.002","78.573","0.002","71.502","0.002","1346.3","0.09","143","2","143","2","","","","","","","","5","P -1","-P 1","2","1,3,5-tris(4-cyanobenzoyl)benzene","1,3,5-tris(4-cyanobenzoyl)benzene","","- C33 H20 Cl N3 O5 -","- C33 H20 Cl N3 O5 -","- C66 H40 Cl2 N6 O10 -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism and Pseudopolymorphism in the Triaroylbenzene Derivative 1,3,5-Tris(4-cyanobenzoyl)benzene","Crystal Growth & Design","2004","4","6","1217","","10.1021/cg049792p","","","0.71073","MoKα","","0.1021","0.0609","","","0.1173","0.1321","","","","","","1.038","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505382","11.397","0.0002","15.4588","0.0003","15.8555","0.0003","73.867","0.001","82.203","0.001","88.405","0.001","2658.52","0.09","143","2","143","2","","","","","","","","4","P -1","-P 1","2","1,3,5-tris(4-cyanobenzoyl)benzene","1,3,5-tris(4-cyanobenzoyl)benzene","","- C32 H20 N4 O5 -","- C32 H20 N4 O5 -","- C128 H80 N16 O20 -","4","2","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism and Pseudopolymorphism in the Triaroylbenzene Derivative 1,3,5-Tris(4-cyanobenzoyl)benzene","Crystal Growth & Design","2004","4","6","1217","","10.1021/cg049792p","","","0.71073","MoKα","","0.1004","0.0595","","","0.1585","0.183","","","","","","1.061","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505383","6.174","0.002","23.497","0.008","12.868","0.004","90","","96.483","0.006","90","","1854.8","1","187","2","187","2","","","","","","","","3","C 1 c 1","C -2yc","9","acridine","acridine","","- C13 H9 N -","- C13 H9 N -","- C104 H72 N8 -","8","2","","Mei, Xuefeng; Wolf, Christian","Formation of New Polymorphs of Acridine Using Dicarboxylic Acids as Crystallization Templates in Solution","Crystal Growth & Design","2004","4","6","1099","","10.1021/cg0498655","","","0.71073","MoKα","","0.1272","0.0403","","","0.0757","0.086","","","","","","0.684","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505384","6.0569","0.001","22.813","0.004","13.204","0.002","90","","95.938","0.004","90","","1814.7","0.5","185","2","185","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","acridine","acridine","","- C13 H9 N -","- C13 H9 N -","- C104 H72 N8 -","8","2","","Mei, Xuefeng; Wolf, Christian","Formation of New Polymorphs of Acridine Using Dicarboxylic Acids as Crystallization Templates in Solution","Crystal Growth & Design","2004","4","6","1099","","10.1021/cg0498655","","","0.71073","MoKα","","0.1094","0.0572","","","0.1325","0.1479","","","","","","1.024","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505385","6.1082","0.0004","19.6249","0.0014","8.9246","0.0006","90","","90.184","0.002","90","","1069.81","0.13","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 N S -","- C5 H5 N S -","- C40 H40 N8 S8 -","8","2","","Muthu, Sebastian; Vittal, Jagadese J.","A New Polymorph of 4-Pyridinethione Containing a Helical Assembly Based on N−H···S Hydrogen Bonds","Crystal Growth & Design","2004","4","6","1181","","10.1021/cg0498812","","","0.71073","MoKα","","0.0464","0.0393","","","0.1021","0.1076","","","","","","1.052","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505386","7.2281","0.0008","6.1499","0.0007","11.6316","0.0013","90","","90.449","0.002","90","","517.03","0.1","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 N S -","- C5 H5 N S -","- C20 H20 N4 S4 -","4","1","","Muthu, Sebastian; Vittal, Jagadese J.","A New Polymorph of 4-Pyridinethione Containing a Helical Assembly Based on N−H···S Hydrogen Bonds","Crystal Growth & Design","2004","4","6","1181","","10.1021/cg0498812","","","0.71073","MoKα","","0.0753","0.0625","","","0.1441","0.1716","","","","","","1.111","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505387","9.3896","0.0007","6.9093","0.001","19.3766","0.0016","90","","90.951","0.008","90","","1256.9","0.2","150","1","150","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C8 H12 N6 O4 Zn -","- C8 H12 N6 O4 Zn -","- C32 H48 N24 O16 Zn4 -","4","1","","Escorihuela, Inmaculada; Falvello, Larry R.; Tomás, Milagros; Urriolabeitia, Esteban P.","Influence of Noncovalent Interactions on Uracil Tautomer Selection: Coordination of Both N1 and N3 Uracilate to the Same Metal in the Solid State","Crystal Growth & Design","2004","4","4","655","","10.1021/cg0499111","","","0.71073","MoKα","","0.0684","0.0428","","","0.0904","0.1014","","","","","","1.02","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505388","9.232","0.006","8.9","0.006","15.102","0.009","90","","96.081","0.011","90","","1233.9","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(2-chlorophenylsulfonylimino)-1,2-dihydropyridine","","- C11 H10 Cl N3 O2 S -","- C11 H10 Cl N3 O2 S -","- C44 H40 Cl4 N12 O8 S4 -","4","1","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1013","0.0574","","","0.1343","0.1553","","","","","","0.97","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505389","9.169","0.002","8.867","0.002","15.222","0.004","90","","96.511","0.005","90","","1229.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(2-methylphenylsulfonylimino)-1,2-dihydropyridine","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.0819","0.0558","","","0.13","0.1451","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505390","12.434","0.004","10.396","0.004","9.113","0.003","90","","92.247","0.006","90","","1177.1","0.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(3-methylphenylsulfonylimino)-1,2-dihydropyridine","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.0969","0.0596","","","0.1391","0.1563","","","","","","1.042","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505391","9","0.006","8.618","0.006","14.643","0.01","90","","91.698","0.017","90","","1135.2","1.3","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(4-fluorophenylsulfonylimino)-1,2-dihydropyridine","","- C11 H10 F N3 O2 S -","- C11 H10 F N3 O2 S -","- C44 H40 F4 N12 O8 S4 -","4","1","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1616","0.1082","","","0.255","0.3162","","","","","","1.023","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505392","13.725","0.006","7.312","0.003","25.419","0.011","90","","92.886","0.008","90","","2547.7","1.9","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","6-amino-2-(4-chlorophenylsulfonylimino)-1,2-dihydropyridine","","- C11 H10 Cl N3 O2 S -","- C11 H10 Cl N3 O2 S -","- C88 H80 Cl8 N24 O16 S8 -","8","1","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1132","0.07","","","0.1597","0.1802","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505393","10.7951","0.0009","18.2559","0.0015","26.335","0.002","90","","94.33","0.002","90","","5175.1","0.7","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(4-bromophenylsulfonylimino)-1,2-dihydropyridine","","- C11 H10 Br N3 O2 S -","- C11 H10 Br N3 O2 S -","- C176 H160 Br16 N48 O32 S16 -","16","4","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1261","0.0656","","","0.1555","0.1848","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505394","10.755","0.002","18.3","0.003","26.828","0.005","90","","90","","90","","5280.2","1.6","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","6-amino-2-(4-iodophenylsulfonylimino)-1,2-dihydropyridine","","- C11 H10 I N3 O2 S -","- C11 H10 I N3 O2 S -","- C176 H160 I16 N48 O32 S16 -","16","2","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.0713","0.0433","","","0.1","0.1245","","","","","","1.082","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505395","15.015","0.006","10.88","0.005","17.066","0.007","90","","113.457","0.008","90","","2557.6","1.9","253","2","253","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-amino-2-(4-methylphenylsulfonylimino)-1,2-dihydropyridine","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C96 H104 N24 O16 S8 -","8","2","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1243","0.0565","","","0.1296","0.1688","","","","","","1.003","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505396","10.834","0.003","17.749","0.004","26.473","0.007","90","","94.531","0.007","90","","5075","2","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(4-methylphenylsulfonylimino)-1,2-dihydropyridine","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C192 H208 N48 O32 S16 -","16","4","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1747","0.0737","","","0.1813","0.2601","","","","","","0.899","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505397","10.8897","0.0013","18.343","0.002","26.64","0.003","90","","90","","90","","5321.3","1","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","6-amino-2-[4-(trifluoromethyl)phenylsulfonylimino]-1,2-dihydropyridine","","- C12 H10 F3 N3 O2 S -","- C12 H10 F3 N3 O2 S -","- C192 H160 F48 N48 O32 S16 -","16","2","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.0822","0.0589","","","0.1342","0.1481","","","","","","1.051","","","","has coordinates,has disorder","301842","2025-08-21","00:37:15",""
"4505398","10.614","0.003","18.276","0.005","27.402","0.007","90","","90","","90","","5315","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-amino-2-(4-methoxyphenylsulfonylimino)-1,2-dihydropyridine","","- C12 H13 N3 O3 S -","- C12 H13 N3 O3 S -","- C192 H208 N48 O48 S16 -","16","2","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1106","0.1024","","","0.2517","0.256","","","","","","1.118","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505399","14.663","0.016","12.276","0.016","7.589","0.011","90","","96.16","0.09","90","","1358","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(4-nitrophenylsulfonylimino)-1,2-dihydropyridine","","- C11 H12 N4 O5 S -","- C11 H12 N4 O5 S -","- C44 H48 N16 O20 S4 -","4","1","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1054","0.0781","","","0.2024","0.2323","","","","","","1.05","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505400","11.4815","0.0005","26.0534","0.0016","7.1885","0.0004","90","","90","","90","","2150.3","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","3-[(E)-2-(4-aminophenyl)-1-ethenyl]phenol","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","","Bhogala, Balakrishna R.; Vangala, Venu R.; Smith, Philip S.; Howard, Judith A. K.; Desiraju, Gautam R.","A Novel Saturated Hydrogen Bridge Architecture in Supraminols","Crystal Growth & Design","2004","4","4","647","","10.1021/cg049916y","","","0.71073","MoKα","","0.0809","0.0416","","","0.0838","0.0952","","","","","","0.906","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505401","7.6679","0.0002","26.1975","0.0006","11.1698","0.0002","90","","90","","90","","2243.79","0.09","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-(4-aminophenethyl)phenol","","- C14 H15 N O -","- C14 H15 N O -","- C112 H120 N8 O8 -","8","2","","Bhogala, Balakrishna R.; Vangala, Venu R.; Smith, Philip S.; Howard, Judith A. K.; Desiraju, Gautam R.","A Novel Saturated Hydrogen Bridge Architecture in Supraminols","Crystal Growth & Design","2004","4","4","647","","10.1021/cg049916y","","","0.71073","MoKα","","0.0607","0.0398","","","0.0796","0.0861","","","","","","0.929","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505402","22.407","0.007","6.061","0.002","27.148","0.009","90","","91.107","0.005","90","","3686","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","02095","","","- C22 H23 N2 O2 -","- C22 H23 N2 O2 -","- C176 H184 N16 O16 -","8","1","","Hosokawa, Toshihito; Datta, Sharmistha; Sheth, Agam R.; Brooks, Neil R.; Young, Jr., Victor G.; Grant, David J. W.","Isostructurality among Five Solvates of Phenylbutazone","Crystal Growth & Design","2004","4","6","1195","1201","10.1021/cg049923m","","","0.71073","MoKα","","0.0888","0.0651","","","0.1491","0.1571","","","","","","1.177","","","","has coordinates,has disorder","301842","2025-08-21","00:37:15",""
"4505403","25.263","0.005","5.6455","0.0011","27.459","0.005","90","","99.117","0.004","90","","3866.8","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","02102","","","- C19.5 H20 Cl2 N2 O2 -","- C19.5 H20 Cl2 N2 O2 -","- C156 H160 Cl16 N16 O16 -","8","1","","Hosokawa, Toshihito; Datta, Sharmistha; Sheth, Agam R.; Brooks, Neil R.; Young, Jr., Victor G.; Grant, David J. W.","Isostructurality among Five Solvates of Phenylbutazone","Crystal Growth & Design","2004","4","6","1195","1201","10.1021/cg049923m","","","0.71073","MoKα","","0.0851","0.0452","","","0.1003","0.12","","","","","","1.012","","","","has coordinates,has disorder","301842","2025-08-21","00:37:15",""
"4505404","22.567","0.002","6.0016","0.0006","27.224","0.003","90","","93.444","0.002","90","","3680.5","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","02114a","phenylbutazone dioxane solvate","","- C21 H24 N2 O3 -","- C21 H23 N2 O3 -","- C168 H184 N16 O24 -","8","1","","Hosokawa, Toshihito; Datta, Sharmistha; Sheth, Agam R.; Brooks, Neil R.; Young, Jr., Victor G.; Grant, David J. W.","Isostructurality among Five Solvates of Phenylbutazone","Crystal Growth & Design","2004","4","6","1195","1201","10.1021/cg049923m","","","0.71073","MoKα","","0.068","0.0569","","","0.1558","0.1643","","","","","","1.038","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505405","22.614","0.002","5.9811","0.0006","27.193","0.003","90","","93.819","0.002","90","","3669.9","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Phenylbutazone tetrahydrofuran solvate","","","- C21 H24 N2 O2.5 -","- C21 H24 N2 O2.5 -","- C168 H192 N16 O20 -","8","1","","Hosokawa, Toshihito; Datta, Sharmistha; Sheth, Agam R.; Brooks, Neil R.; Young, Jr., Victor G.; Grant, David J. W.","Isostructurality among Five Solvates of Phenylbutazone","Crystal Growth & Design","2004","4","6","1195","1201","10.1021/cg049923m","","","0.71073","MoKα","","0.0816","0.059","","","0.1309","0.1421","","","","","","1.046","","","","has coordinates,has disorder","301842","2025-08-21","00:37:15",""
"4505406","25.653","0.003","5.6091","0.0007","27.551","0.004","90","","98.621","0.002","90","","3919.5","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","phenylbutazone cyclohexane solvate","","","- C22 H26 N2 O2 -","- C22.0006 H26.0012 N2 O2 -","- C176.005 H208.01 N16 O16 -","8","1","","Hosokawa, Toshihito; Datta, Sharmistha; Sheth, Agam R.; Brooks, Neil R.; Young, Jr., Victor G.; Grant, David J. W.","Isostructurality among Five Solvates of Phenylbutazone","Crystal Growth & Design","2004","4","6","1195","1201","10.1021/cg049923m","","","0.71073","MoKα","","0.0773","0.0567","","","0.1347","0.1463","","","","","","1.014","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505407","31.682","0.009","10.403","0.005","16.961","0.008","90","","112.5","0.03","90","","5165","4","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H17.5 Br2 Cl4.5 N2 -","- C24.5 H17.5 Br2 Cl4.5 N2 -","- C196 H140 Br16 Cl36 N16 -","8","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Role of Double C−H···N Weak Hydrogen Bonding Motifs inN-Heteroaromatic Inclusion Chemistry","Crystal Growth & Design","2004","4","4","837","","10.1021/cg049927r","","","0.71073","MoKα","","","0.049","","","","0.062","","","","","","1.45","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505408","10.222","0.007","10.354","0.007","10.498","0.008","102.68","0.02","93.93","0.03","117.32","0.03","944.5","1.2","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 Br2 N2 -","- C23 H16 Br2 N2 -","- C46 H32 Br4 N4 -","2","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Role of Double C−H···N Weak Hydrogen Bonding Motifs inN-Heteroaromatic Inclusion Chemistry","Crystal Growth & Design","2004","4","4","837","","10.1021/cg049927r","","","0.71073","MoKα","","","0.038","","","","0.049","","","","","","1.69","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505409","23.182","0.007","5.675","0.002","12.504","0.004","90","","92.47","0.02","90","","1643.5","0.9","294","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C92 H72 N8 -","4","0.5","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Role of Double C−H···N Weak Hydrogen Bonding Motifs inN-Heteroaromatic Inclusion Chemistry","Crystal Growth & Design","2004","4","4","837","","10.1021/cg049927r","","","0.71073","MoKα","","","0.036","","","","0.055","","","","","","1.42","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505410","16.858","0.006","10.669","0.002","16.771","0.006","90","","120.41","0.01","90","","2601.4","1.4","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Br2 Cl4 N2 -","- C25 H22 Br2 Cl4 N2 -","- C100 H88 Br8 Cl16 N8 -","4","0.5","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Role of Double C−H···N Weak Hydrogen Bonding Motifs inN-Heteroaromatic Inclusion Chemistry","Crystal Growth & Design","2004","4","4","837","","10.1021/cg049927r","","","0.71073","MoKα","","","0.056","","","","0.059","","","","","","1.71","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505411","7.496","0.004","9.653","0.006","12.002","0.007","85.74","0.009","86.097","0.009","81.728","0.009","855.6","0.9","90","0.2","90","0.2","","","","","","","see text","3","P -1","-P 1","2","3-acetylcoumarin","3-acetylcoumarin","","- C11 H8 O3 -","- C11 H8 O3 -","- C44 H32 O12 -","4","2","","Munshi, Parthapratim; Venugopala, K. N.; Jayashree, B. S.; Guru Row, Tayur N.","Concomitant Polymorphism in 3-Acetylcoumarin: Role of Weak C−H···O and C−H···π Interactions","Crystal Growth & Design","2004","4","6","1105","","10.1021/cg049948l","","","0.71073","MoKα","","0.037","0.0353","","","0.1025","0.1043","","","","","","1.071","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505412","11.325","0.007","3.987","0.002","18.773","0.011","90","","90.425","0.01","90","","847.6","0.8","90","0.2","90","0.2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","3-acetylcoumarin","3-acetylcoumarin","","- C11 H8 O3 -","- C11 H8 O3 -","- C44 H32 O12 -","4","1","","Munshi, Parthapratim; Venugopala, K. N.; Jayashree, B. S.; Guru Row, Tayur N.","Concomitant Polymorphism in 3-Acetylcoumarin: Role of Weak C−H···O and C−H···π Interactions","Crystal Growth & Design","2004","4","6","1105","","10.1021/cg049948l","","","0.71073","MoKα","","0.0579","0.0449","","","0.1168","0.1248","","","","","","1.054","","","","has coordinates","301842","2025-08-21","00:37:15",""
"4505413","13.7982","0.0003","13.0362","0.0002","9.2955","0.0002","90","","90","","90","","1672.04","0.06","123","2","123","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C14 H14 Co N10 O -","- C14 H14 Co N10 O -","- C56 H56 Co4 N40 O4 -","4","0.5","","Kutasi, Anna M.; Harris, Alexander R.; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Coordination Polymers of Dicyanamide and Methylpyrazine: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2004","4","3","605","","10.1021/cg049952x","","","0.71073","MoKα","","0.0413","0.0342","","","0.0937","0.0976","","","","","","1.046","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505414","13.6754","0.0006","13.0449","0.0004","9.2508","0.0004","90","","90","","90","","1650.29","0.11","123","2","123","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C14 H14 N10 Ni O -","- C14 H12 N10 Ni O -","- C56 H48 N40 Ni4 O4 -","4","0.5","","Kutasi, Anna M.; Harris, Alexander R.; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Coordination Polymers of Dicyanamide and Methylpyrazine: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2004","4","3","605","","10.1021/cg049952x","","","0.71073","MoKα","","0.0531","0.0411","","","0.107","0.1127","","","","","","1.104","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505415","14.7318","0.0009","20.7684","0.0013","7.5127","0.0003","90","","90","","90","","2298.6","0.2","123","2","123","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C36 H30 Mn3 N28 -","- C36 H22 Mn3 N28 -","- C72 H44 Mn6 N56 -","2","0.25","","Kutasi, Anna M.; Harris, Alexander R.; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Coordination Polymers of Dicyanamide and Methylpyrazine: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2004","4","3","605","","10.1021/cg049952x","","","0.71073","MoKα","","0.1423","0.0848","","","0.1442","0.1626","","","","","","1.069","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505416","29.4481","0.0009","12.3608","0.0004","12.3821","0.0003","90","","90","","90","","4507.1","0.2","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H12 Mn2 N14 O3 -","- C16 H12 Mn2 N14 O3 -","- C128 H96 Mn16 N112 O24 -","8","1","","Kutasi, Anna M.; Harris, Alexander R.; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Coordination Polymers of Dicyanamide and Methylpyrazine: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2004","4","3","605","","10.1021/cg049952x","","","0.71073","MoKα","","0.0815","0.0598","","","0.1253","0.131","","","","","","1.262","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505417","9.9541","0.0014","11.5239","0.0016","14.3145","0.0014","82.333","0.005","74.456","0.004","80.836","0.003","1554.6","0.3","90","1","90","1","","","","","","","","4","P 1","P 1","1","","","","- C75 H70 N6 O11 -","- C75 H70 N6 O11 -","- C75 H70 N6 O11 -","1","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.122","0.0532","","","0.0956","0.1149","","","","","","0.839","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505418","10.0723","0.0002","13.735","0.0003","17.3384","0.0004","75.975","0.001","79.797","0.001","68.858","0.001","2159.81","0.08","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C55 H52 N2 O10 -","- C55 H50 N2 O10 -","- C110 H100 N4 O20 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.0806","0.0574","","","0.1597","0.1732","","","","","","1.053","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505419","13.351","0.005","14.049","0.005","16.71","0.005","99.954","0.013","93.399","0.012","100.875","0.013","3017.9","1.8","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C69 H61 N4 O9 -","- C69 H61 N4 O9 -","- C138 H122 N8 O18 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.2315","0.1163","","","0.2831","0.4017","","","","","","1.015","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505420","13.81","0.006","14.509","0.005","15.157","0.006","89.123","0.011","73.006","0.014","81.958","0.012","2875","2","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C69 H62 N8 O9 -","- C69 H62 N8 O9 -","- C138 H124 N16 O18 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.1859","0.083","","","0.1835","0.237","","","","","","1.029","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505421","26.4564","0.0018","15.23","0.002","17.4736","0.0016","90","","114.671","0.004","90","","6398","1.1","90","1","90","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H76 N8 O10 -","- C75 H60 N8 O10 -","- C300 H240 N32 O40 -","4","0.5","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.1104","0.081","","","0.2347","0.2675","","","","","","1.048","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505422","22.824","0.003","25.799","0.003","36.354","0.005","90","","90","","90","","21407","5","90","1","90","1","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C65 H58 N4 O9 -","- C65 H48 N4 O9 -","- C1040 H768 N64 O144 -","16","0.5","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.1709","0.0863","","","0.2177","0.2559","","","","","","0.982","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505423","43.736","0.012","12.632","0.004","28.391","0.005","90","","129.094","0.009","90","","12174","6","90","1","90","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C74 H70 N5 O9 -","- C74 H70 N5 O9 -","- C592 H560 N40 O72 -","8","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.2081","0.1063","","","0.1995","0.2488","","","","","","1.017","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505424","11.7974","0.0018","15.869","0.002","31.374","0.005","104.51","0.007","97.062","0.007","96.513","0.007","5579.2","1.4","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C135 H136 N8 O18 -","- C135 H130 N8 O18 -","- C270 H260 N16 O36 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.1943","0.0867","","","0.2148","0.2765","","","","","","0.93","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505425","15.0768","0.0016","15.1379","0.0017","16.7478","0.0014","108.354","0.003","98.491","0.004","91.692","0.003","3576.4","0.6","90","1","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C86 H80 N8 O10 -","- C86 H80 N8 O10 -","- C172 H160 N16 O20 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.1725","0.0548","","","0.0985","0.132","","","","","","0.864","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505426","15.8791","0.001","15.9052","0.0012","15.9729","0.0009","99.649","0.003","107.176","0.003","90.599","0.003","3792","0.4","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C90 H88 N8 O10 -","- C90 H73 N8 O10 -","- C180 H146 N16 O20 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.1576","0.0622","","","0.1298","0.1614","","","","","","0.872","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505427","5.6526","0.0011","5.8755","0.001","8.049","0.002","92.912","0.013","106.965","0.018","116.022","0.019","224.74","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","cαα","3,3,6,6-Tetramethyl-piperazine-2,5-dione","","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","1","0.5","","Gordon-Wylie, Scott W.; Teplin, Eleanor; Morris, James C.; Trombley, Margaret I.; McCarthy, Sean M.; Cleaver, William M.; Clark, George R.","Exploring Hydrogen-Bonded Structures: Synthesis and X-ray Crystallographic Screening of a Cisoid Cyclic Dipeptide Mini-Library","Crystal Growth & Design","2004","4","4","789","","10.1021/cg049957u","","","0.71073","MoKα","","0.0515","0.0461","","","0.1295","0.1367","","","","","","1.096","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505428","5.921","0.002","8.057","0.003","11.136","0.004","70.92","0.03","87.63","0.03","83.82","0.03","499.1","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","cαβ","3,3-Dimethyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C22 H24 N4 O4 -","2","1","","Gordon-Wylie, Scott W.; Teplin, Eleanor; Morris, James C.; Trombley, Margaret I.; McCarthy, Sean M.; Cleaver, William M.; Clark, George R.","Exploring Hydrogen-Bonded Structures: Synthesis and X-ray Crystallographic Screening of a Cisoid Cyclic Dipeptide Mini-Library","Crystal Growth & Design","2004","4","4","789","","10.1021/cg049957u","","","0.71073","MoKα","","0.0512","0.0494","","","0.1508","0.159","","","","","","0.79","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505429","8.5431","0.0014","8.908","0.002","12.0833","0.0018","73.705","0.017","89.232","0.013","67.14","0.02","808.5","0.3","571","2","571","2","","","","","","","","4","P -1","-P 1","2","cββ.DMF","5H,11H-Dibenzo[b,f][1,5]diazocine-6,12-dione, N,N'-dimethylformamide solvate","","- C17 H17 N3 O3 -","- C17 H17 N3 O3 -","- C34 H34 N6 O6 -","2","1","","Gordon-Wylie, Scott W.; Teplin, Eleanor; Morris, James C.; Trombley, Margaret I.; McCarthy, Sean M.; Cleaver, William M.; Clark, George R.","Exploring Hydrogen-Bonded Structures: Synthesis and X-ray Crystallographic Screening of a Cisoid Cyclic Dipeptide Mini-Library","Crystal Growth & Design","2004","4","4","789","","10.1021/cg049957u","","","0.71073","MoKα","","0.0712","0.0556","","","0.1522","0.1732","","","","","","1.049","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505430","8.6356","0.0001","8.6643","0.0001","11.5906","0.0001","86.968","0.001","75.51","0.001","63.216","0.001","747.757","0.016","150","2","150","2","","","","","","","","4","P -1","-P 1","2","cββ.EtOH","5H,11H-Dibenzo[b,f][1,5]diazocine-6,12-dione, Ethanol solvate","","- C16 H16 N2 O3 -","- C16 H13 N2 O3 -","- C32 H26 N4 O6 -","2","1","","Gordon-Wylie, Scott W.; Teplin, Eleanor; Morris, James C.; Trombley, Margaret I.; McCarthy, Sean M.; Cleaver, William M.; Clark, George R.","Exploring Hydrogen-Bonded Structures: Synthesis and X-ray Crystallographic Screening of a Cisoid Cyclic Dipeptide Mini-Library","Crystal Growth & Design","2004","4","4","789","","10.1021/cg049957u","","","0.71073","MoKα","","0.0524","0.0457","","","0.1209","0.1245","","","","","","1.156","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505431","10.7217","0.0001","10.8998","0.0001","27.6353","0.0002","90","","90","","90","","3229.58","0.05","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cββ.Py","5H,11H-Dibenzo[b,f][1,5]diazocine-6,12-dione, Pyridine Solvate","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C152 H120 N24 O16 -","8","1","","Gordon-Wylie, Scott W.; Teplin, Eleanor; Morris, James C.; Trombley, Margaret I.; McCarthy, Sean M.; Cleaver, William M.; Clark, George R.","Exploring Hydrogen-Bonded Structures: Synthesis and X-ray Crystallographic Screening of a Cisoid Cyclic Dipeptide Mini-Library","Crystal Growth & Design","2004","4","4","789","","10.1021/cg049957u","","","0.71073","MoKα","","0.0433","0.0381","","","0.0945","0.0977","","","","","","1.066","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505432","7.6004","0.0001","15.4465","0.0002","23.9689","0.0001","90","","90","","90","","2813.94","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 Cu2 N2 O9 -","- C24 H36 Cu2 N2 O9 -","- C96 H144 Cu8 N8 O36 -","4","1","","Yang, Xiandong; Ranford, John D.; Vittal, Jagadese J.","Isomerism in 1D Coordination Polymers of Cu(II) Complexes ofN-(2-Hydroxybenzyl)-l-valine: Influence of Solvent and Coordination Sphere on the Conformation","Crystal Growth & Design","2004","4","4","781","","10.1021/cg0499717","","","0.71073","MoKα","","0.0898","0.059","","","0.1069","0.1176","","","","","","1.074","","","","has coordinates,has disorder","301842","2025-08-21","00:37:16",""
"4505433","11.0032","0.0004","7.6246","0.0003","16.1711","0.0004","90","","91.969","0.001","90","","1355.87","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H36 Cu2 N2 O9 -","- C24 H36 Cu2 N2 O9 -","- C48 H72 Cu4 N4 O18 -","2","1","","Yang, Xiandong; Ranford, John D.; Vittal, Jagadese J.","Isomerism in 1D Coordination Polymers of Cu(II) Complexes ofN-(2-Hydroxybenzyl)-l-valine: Influence of Solvent and Coordination Sphere on the Conformation","Crystal Growth & Design","2004","4","4","781","","10.1021/cg0499717","","","0.71073","MoKα","","0.0548","0.04","","","0.069","0.0741","","","","","","1.017","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505434","12.8243","0.0001","18.216","0.0002","14.2213","0.0002","90","","115.595","0.001","90","","2996.19","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25.5 H36 Cu2 N2 O7.5 -","- C25.5 H36 Cu2 N2 O7.5 -","- C102 H144 Cu8 N8 O30 -","4","2","","Yang, Xiandong; Ranford, John D.; Vittal, Jagadese J.","Isomerism in 1D Coordination Polymers of Cu(II) Complexes ofN-(2-Hydroxybenzyl)-l-valine: Influence of Solvent and Coordination Sphere on the Conformation","Crystal Growth & Design","2004","4","4","781","","10.1021/cg0499717","","","0.71073","MoKα","","0.0523","0.0482","","","0.134","0.1383","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505435","12.8761","0.0002","18.0335","0.0003","14.2517","0.0002","90","","115.237","0.001","90","","2993.4","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H84 Cu4 N4 O16 -","- C28 H42 Cu2 N2 O8 -","- C112 H168 Cu8 N8 O32 -","4","2","","Yang, Xiandong; Ranford, John D.; Vittal, Jagadese J.","Isomerism in 1D Coordination Polymers of Cu(II) Complexes ofN-(2-Hydroxybenzyl)-l-valine: Influence of Solvent and Coordination Sphere on the Conformation","Crystal Growth & Design","2004","4","4","781","","10.1021/cg0499717","","","0.71073","MoKα","","0.0666","0.0497","","","0.1211","0.1307","","","","","","1.034","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505436","11.8182","0.0006","8.2857","0.0004","13.0625","0.0006","90","","116.564","0.001","90","","1144.08","0.1","90","2","90","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H20 Co N6 O8 -","- C22 H20 Co N6 O8 -","- C44 H40 Co2 N12 O16 -","2","0.5","","MacDonald, John C.; Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Supramolecular Behavior of an Isomorphous Series of Five Bis(2-methylimidazolium 2,6-dicarboxypyridine) M(II) Complexes","Crystal Growth & Design","2004","4","6","1203","","10.1021/cg049974j","","","0.71073","MoKα","","0.026","0.0253","","","0.074","0.0744","","","","","","1.014","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505437","11.8819","0.0004","8.2462","0.0003","13.0763","0.0005","90","","116.905","0.001","90","","1142.54","0.07","90","2","90","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C44 H40 Cu Mn N12 O16 -","- C44 H40 Cu2 N12 O16 -","- C44 H40 Cu2 N12 O16 -","1","0.25","","MacDonald, John C.; Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Supramolecular Behavior of an Isomorphous Series of Five Bis(2-methylimidazolium 2,6-dicarboxypyridine) M(II) Complexes","Crystal Growth & Design","2004","4","6","1203","","10.1021/cg049974j","","","0.71073","MoKα","","0.0311","0.0292","","","0.0942","0.0959","","","","","","1.061","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505438","11.826","0.0005","8.2955","0.0003","13.0456","0.0005","90","","116.691","0.001","90","","1143.43","0.08","90","2","90","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H20 N6 Ni O8 -","- C22 H20 N6 Ni O8 -","- C44 H40 N12 Ni2 O16 -","2","0.5","","MacDonald, John C.; Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Supramolecular Behavior of an Isomorphous Series of Five Bis(2-methylimidazolium 2,6-dicarboxypyridine) M(II) Complexes","Crystal Growth & Design","2004","4","6","1203","","10.1021/cg049974j","","","0.71073","MoKα","","0.0253","0.0242","","","0.0717","0.0724","","","","","","1.051","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505439","11.8449","0.0004","8.276","0.0003","13.0727","0.0005","90","","116.7","0.001","90","","1144.85","0.07","90","2","90","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H20 N6 O8 Zn -","- C22 H20 N6 O8 Zn -","- C44 H40 N12 O16 Zn2 -","2","0.5","","MacDonald, John C.; Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Supramolecular Behavior of an Isomorphous Series of Five Bis(2-methylimidazolium 2,6-dicarboxypyridine) M(II) Complexes","Crystal Growth & Design","2004","4","6","1203","","10.1021/cg049974j","","","0.71073","MoKα","","0.0374","0.0295","","","0.0755","0.0799","","","","","","1.041","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505440","13.0714","0.0007","8.244","0.0003","11.9058","0.0005","90","","117.196","0.001","90","","1141.14","0.09","90","2","90","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Bis(imidazolium 2,6-dicaroboxypyridine) Cu(II)","","- C22 H20 Cu N6 O8 -","- C22 H20 Cu N6 O8 -","- C44 H40 Cu2 N12 O16 -","2","0.5","","MacDonald, John C.; Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Supramolecular Behavior of an Isomorphous Series of Five Bis(2-methylimidazolium 2,6-dicarboxypyridine) M(II) Complexes","Crystal Growth & Design","2004","4","6","1203","","10.1021/cg049974j","","","0.71073","MoKα","","0.0256","0.0243","","","0.0755","0.0764","","","","","","1.078","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505441","8.0838","0.0009","8.9765","0.001","9.9412","0.0011","101.214","0.002","105.716","0.002","93.07","0.002","676.83","0.13","298","2","298","2","","","","","","","","3","P -1","-P 1","2","E,E-1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene","E,E-1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene","","- C30 H34 O8 -","- C30 H34 O8 -","- C30 H34 O8 -","1","0.5","","Vande Velde, Christophe M. L.; Chen, Li-Juan; Baeke, Jan K.; Moens, Maarten; Dieltiens, Pieter; Geise, Herman J.; Zeller, Matthias; Hunter, Allen D.; Blockhuys, Frank","The Influence of the Side Chain Length on −OCH3−π Interactions Determining the Crystal Packing of Four Substituted 1,4-Bis(α-styryl)benzenes","Crystal Growth & Design","2004","4","4","823","","10.1021/cg0499764","","","0.71073","MoKα","","0.0693","0.0536","","","0.1328","0.1423","","","","","","1.04","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505442","7.572","0.005","9.033","0.005","11.729","0.005","101.57","0.005","98.29","0.005","91.04","0.005","776.8","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","246iprOMT","1,4-bis[2-(246-trimethoxyphenyl)ethenyl]-2,5-diisopropoxybenzene","","- C34 H42 O8 -","- C34 H42 O8 -","- C34 H42 O8 -","1","0.5","","Vande Velde, Christophe M. L.; Chen, Li-Juan; Baeke, Jan K.; Moens, Maarten; Dieltiens, Pieter; Geise, Herman J.; Zeller, Matthias; Hunter, Allen D.; Blockhuys, Frank","The Influence of the Side Chain Length on −OCH3−π Interactions Determining the Crystal Packing of Four Substituted 1,4-Bis(α-styryl)benzenes","Crystal Growth & Design","2004","4","4","823","","10.1021/cg0499764","","","0.71073","MoKα","","0.1731","0.0606","","","0.1518","0.1822","","","","","","1.039","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505443","8.174","0.002","15.302","0.004","16.32","0.004","90","","115.947","0.018","90","","1835.5","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","246hexOMT","1,4-bis(2,4,6-trimethoxyphenylethenyl)-2,5-dihexoxybenzene","","- C40 H54 O8 -","- C40 H54 O8 -","- C80 H108 O16 -","2","0.5","","Vande Velde, Christophe M. L.; Chen, Li-Juan; Baeke, Jan K.; Moens, Maarten; Dieltiens, Pieter; Geise, Herman J.; Zeller, Matthias; Hunter, Allen D.; Blockhuys, Frank","The Influence of the Side Chain Length on −OCH3−π Interactions Determining the Crystal Packing of Four Substituted 1,4-Bis(α-styryl)benzenes","Crystal Growth & Design","2004","4","4","823","","10.1021/cg0499764","","","0.71073","MoKα","","0.2274","0.0588","","","0.158","0.2057","","","","","","0.994","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505444","6.897","0.002","9.628","0.002","14.066","0.002","88.79","0.02","79.84","0.02","87.72","0.02","918.6","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","phe246OMT","1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-3,5bis(2-phenylethoxy)benzene","","- C44 H46 O8 -","- C44 H46 O8 -","- C44 H46 O8 -","1","0.5","","Vande Velde, Christophe M. L.; Chen, Li-Juan; Baeke, Jan K.; Moens, Maarten; Dieltiens, Pieter; Geise, Herman J.; Zeller, Matthias; Hunter, Allen D.; Blockhuys, Frank","The Influence of the Side Chain Length on −OCH3−π Interactions Determining the Crystal Packing of Four Substituted 1,4-Bis(α-styryl)benzenes","Crystal Growth & Design","2004","4","4","823","","10.1021/cg0499764","","","0.71073","MoKα","","0.2316","0.0822","","","0.2014","0.2659","","","","","","0.969","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505862","24.2945","0.0012","3.8517","0.0002","25.4884","0.0015","90","","99.407","0.003","90","","2353","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H18 N4 -","- C38 H18 N4 -","- C152 H72 N16 -","4","1","","Wu, Yuechao; Yin, Zongyou; Xiao, Jinchong; Liu, Yi; Wei, Fengxia; Tan, Ke Jie; Kloc, Christian; Huang, Ling; Yan, Qingyu; Hu, Fangzhong; Zhang, Hua; Zhang, Qichun","Crystal structure and phototransistor behavior of N-substituted heptacence.","ACS applied materials & interfaces","2012","4","4","1883","1886","10.1021/am3003389","","","0.71073","MoKα","","0.1026","0.0444","","","0.0941","0.1224","","","","","","0.993","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4506590","22.433","0.003","4.9502","0.0005","16.387","0.002","90","","111.351","0.004","90","","1694.8","0.4","90","","90","","","","","","","","local laboratory","4","P 1 21/c 1","-P 2ybc","14","","2,3,2',3',2''',3''',2'''',3'''',2'''''',3'''''',2''''''',3'''''''-Hexa(ethylenedioxy)-3'',4'''''-(2-ethylhexyl)- 2,2':5',2'':5'',2''':5''',2'''':5'''',2''''':5''''',2'''''':5'''''',2''''''':5'''''''-octithiophene","","- C36 H46 O4 S4 -","- C36 H46 O4 S4 -","- C72 H92 O8 S8 -","2","0.5","","de Silva, K. M. Nalin; Hwang, Euiyong; Serem, Wilson K.; Fronczek, Frank R.; Garno, Jayne C.; Nesterov, Evgueni E.","Long-chain 3,4-ethylenedioxythiophene/thiophene oligomers and semiconducting thin films prepared by their electropolymerization.","ACS applied materials & interfaces","2012","4","10","5430","5441","10.1021/am301349g","","","0.71073","MoKα","","0.091","0.056","","","0.145","0.164","","","","","","1.039","","","","has coordinates,has disorder","301842","2025-08-21","00:37:18",""
"4506591","9.831","0.011","9.831","","2.872","0.006","90","","90","","90","","277.6","0.7","25","","25","","","","","","","","","3","I 4/m","-I 4","87","","","","- Ag1.15 Mn8 O16 -","- Ag1.15 Mn8 O16 -","- Ag1.15 Mn8 O16 -","1","0.0625","","Takeuchi, Kenneth J.; Yau, Shali Z.; Menard, Melissa C.; Marschilok, Amy C.; Takeuchi, Esther S.","Synthetic control of composition and crystallite size of silver hollandite, Ag(x)Mn8O16: impact on electrochemistry.","ACS applied materials & interfaces","2012","4","10","5547","5554","10.1021/am301443g","powder diffraction","x-ray","1.5406","","","","","","","","","0.13283","","1.39","","","","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506592","9.756","0.01","9.756","","2.858","0.006","90","","90","","90","","272","0.6","25","","25","","","","","","","","","3","I 4/m","-I 4","87","","","","- Ag1.56 Mn8 O16 -","- Ag1.56 Mn8 O16 -","- Ag1.56 Mn8 O16 -","1","0.0625","","Takeuchi, Kenneth J.; Yau, Shali Z.; Menard, Melissa C.; Marschilok, Amy C.; Takeuchi, Esther S.","Synthetic control of composition and crystallite size of silver hollandite, Ag(x)Mn8O16: impact on electrochemistry.","ACS applied materials & interfaces","2012","4","10","5547","5554","10.1021/am301443g","powder diffraction","x-ray","1.5406","","","","","","","","","0.15335","","1.3","","","","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4508611","11.9047","0.0004","12.2331","0.0004","12.3943","0.0004","90","","108.556","0.001","90","","1711.16","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H50 O10 -","- C36 H50 O10 -","- C72 H100 O20 -","2","1","","Motiwala, Hashim F.; Bazzill, Joseph; Samadi, Abbas; Zhang, Huaping; Timmermann, Barbara N.; Cohen, Mark S.; Aub Jeffrey","Synthesis and Cytotoxicity of Semisynthetic Withalongolide A Analogues","ACS Medicinal Chemistry Letters","2013","4","11","1069","","10.1021/ml400267q","","","1.54178","CuKα","","0.0431","0.0431","","","0.1169","0.1169","","","","","","1.049","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4509833","9.8241","0.0001","9.8241","0.0001","37.0024","0.0007","90","","90","","120","","3092.76","0.07","150","","150","","","","","","","","","4","P 65","P 65","170","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C132 H144 N12 O36 -","6","1","","Barber, David M.; Duriš, Andrej; Thompson, Amber L.; Sanganee, Hitesh J.; Dixon, Darren J.","One-Pot Asymmetric Nitro-Mannich/Hydroamination Cascades for the Synthesis of Pyrrolidine Derivatives: Combining Organocatalysis and Gold Catalysis.","ACS catalysis","2014","4","2","634","638","10.1021/cs401008v","","","1.5418","CuKα","","0.0282","0.0267","","0.0661","0.0648","0.0661","","","","","","1.0207","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509834","13.489","0.0014","19.154","0.002","12.366","0.0012","90","","116.81","0.003","90","","2851.5","0.5","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl N O4 S -","- C34 H30 Cl N O4 S -","- C136 H120 Cl4 N4 O16 S4 -","4","1","","Li, Erqing; Jia, Penghao; Liang, Ling; Huang, You","Phosphine-Catalyzed Sequential [2 +3] and [3 + 2] Annulation Domino Reaction of γ-Benzyl-Substituted Allenoates with α,β-Unsaturated Ketimines To Construct aza-Bicyclo[3,3,0]octane Derivatives","ACS Catalysis","2014","4","2","600","","10.1021/cs401161q","","","0.71075","MoKα","","0.0467","0.034","","","0.0821","0.0867","","","","","","0.995","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509835","9.0412","0.0004","31.3975","0.0015","12.3426","0.0006","90","","96.356","0.001","90","","3482.2","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","7 Cp*Ir(Gly)I in manuscript","","","- C15.5 H19 I Ir N O2 -","- C15.5 H19 I Ir N O2 -","- C124 H152 I8 Ir8 N8 O16 -","8","2","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.066","0.0426","","","0.0721","0.0784","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509836","9.1576","0.0006","11.2916","0.0008","16.2687","0.0011","99.653","0.001","91.159","0.001","91.704","0.001","1657.2","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","9 Cp*Ir(Aib)Cl in manuscript","","","- C14 H23 Cl Ir N O2 -","- C14 H23 Cl Ir N O2 -","- C56 H92 Cl4 Ir4 N4 O8 -","4","2","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0553","0.0345","","","0.0612","0.0667","","","","","","1.035","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509837","12.8738","0.0018","16.382","0.002","26.73","0.004","90","","90","","90","","5637.3","1.3","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","10 [Cp*Ir(Gly)]3(OTf)3 in manuscript","","","- C42 H63 F9 Ir3 N3 O16 S3 -","- C42 H63 F9 Ir3 N3 O16 S3 -","- C168 H252 F36 Ir12 N12 O64 S12 -","4","1","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0571","0.0504","","","0.1267","0.1339","","","","","","1.02","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509838","26.456","0.002","8.5874","0.0007","21.4517","0.0018","90","","121.888","0.001","90","","4138.1","0.6","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","11 [Cp*Ir(Gly)MeCN]OTf in manuscript","","","- C15 H22 F3 Ir N2 O5 S -","- C15 H22 F3 Ir N2 O5 S -","- C120 H176 F24 Ir8 N16 O40 S8 -","8","1","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0465","0.0306","","","0.0564","0.061","","","","","","1.041","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509839","8.9727","0.0006","10.0097","0.0007","10.1814","0.0007","75.441","0.001","78.89","0.001","68.698","0.001","819.37","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","12 [Cp*Ir(Aib)NH3]Cl in manuscript","","","- C14 H26 Cl Ir N2 O2 -","- C14 H26 Cl Ir N2 O2 -","- C28 H52 Cl2 Ir2 N4 O4 -","2","1","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0301","0.0245","","","0.0522","0.0543","","","","","","1.051","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509840","10.3281","0.0006","13.3359","0.0007","24.1586","0.0014","90","","94.1269","0.0014","90","","3318.8","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","13 [Cp*Ir(NH3)3]Cl2 in manuscript","","","- C10.5 H26 Cl2 Ir N3 O0.5 -","- C10.5 H26 Cl2 Ir N3 O0.5 -","- C84 H208 Cl16 Ir8 N24 O4 -","8","2","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0511","0.0383","","","0.0727","0.0823","","","","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509841","8.3622","0.0013","9.0389","0.0014","9.9889","0.0016","90","","105.24","0.004","90","","728.5","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","14 in manuscript","","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0636","0.0477","","","0.1039","0.1138","","","","","","1.11","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509842","9.915","0.002","11.919","0.002","20.194","0.004","97.563","0.003","91.49","0.003","112.378","0.003","2180","0.7","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 Cl6 O6 P2 Ru -","- C42 H34 Cl6 O6 P2 Ru -","- C84 H68 Cl12 O12 P4 Ru2 -","2","1","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.072","0.0447","","","0.0802","0.1004","","","","","","1.047","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509843","16.3958","0.0009","17.5531","0.0009","17.6055","0.0009","101.46","0.001","113.756","0.001","107.585","0.001","4111.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H64 Na O30 P3 Ru6 -","- C76 H64 Na O30 P3 Ru6 -","- C152 H128 Na2 O60 P6 Ru12 -","2","1","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.0401","0.0289","","","0.0635","0.0684","","","","","","1.084","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509844","17.7301","0.0006","12.3659","0.0004","18.3431","0.0006","90","","102.999","0.001","90","","3918.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42.2 H34 Cl0.3 O2.71 P2 Ru -","- C42.206 H34 Cl0.294 O2.706 P2 Ru -","- C168.824 H136 Cl1.176 O10.824 P8 Ru4 -","4","1","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.0739","0.0566","","","0.1579","0.1704","","","","","","1.132","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509845","19.0814","0.0017","10.8848","0.0009","15.6495","0.0014","90","","90","","90","","3250.4","0.5","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H32 O6 P2 Ru -","- C39 H32 O6 P2 Ru -","- C156 H128 O24 P8 Ru4 -","4","0.5","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.0564","0.0354","","","0.0694","0.073","","","","","","1.009","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509846","13.2898","0.0008","19.8988","0.0012","14.5203","0.0008","90","","94.197","0.001","90","","3829.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 O8 P2 Ru2 -","- C42 H32 O8 P2 Ru2 -","- C168 H128 O32 P8 Ru8 -","4","1","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.0339","0.0236","","","0.0497","0.0534","","","","","","1.029","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509847","9.508","0.002","9.679","0.003","10.314","0.003","82.54","0.03","74.65","0.02","73.17","0.02","874.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Cl F N2 O -","- C19 H22 Cl F N2 O -","- C38 H44 Cl2 F2 N4 O2 -","2","1","","Gu, Zheng-Yang; Zhu, Tong-Hao; Cao, Jia-Jia; Xu, Xiao-Ping; Wang, Shun-Yi; Ji, Shun-Jun","Palladium-Catalyzed Cascade Reactions of Isocyanides with Enaminones: Synthesis of 4-Aminoquinoline Derivatives","ACS Catalysis","2014","4","1","49","","10.1021/cs400904t","","","0.7107","MoKα","","0.1044","0.0581","","","0.1542","0.1904","","","","","","1.028","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4510029","12.4567","0.0004","14.2413","0.0005","18.0693","0.0013","90","","90","","90","","3205.5","0.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C19 H44 B2 F8 Ir N4 O2 P3 -","- C19 H43 B2 F8 Ir N4 O2 P3 -","- C76 H172 B8 F32 Ir4 N16 O8 P12 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71073","MoKα","","0.0371","0.0352","","","0.0869","0.0879","","","","","","1.013","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510030","8.4218","0.0004","10.3619","0.0004","10.7421","0.0008","90","","102.256","0.007","90","","916.05","0.09","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H21 B Cl F4 Ir N4 -","- C15 H21 B Cl F4 Ir N4 -","- C30 H42 B2 Cl2 F8 Ir2 N8 -","2","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71075","MoKα","","0.065","0.0546","","","0.1016","0.1069","","","","","","1.062","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510031","13.9451","0.001","22.7483","0.0004","13.5566","0.0003","90","","112.44","0.008","90","","3974.9","0.4","93","2","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H63 B Cl F4 Ir N4 O -","- C36 H63 B Cl F4 Ir N4 O -","- C144 H252 B4 Cl4 F16 Ir4 N16 O4 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71073","MoKα","","0.0471","0.0373","","","0.0792","0.0827","","","","","","1.078","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510032","10.2065","0.0005","11.645","0.0005","30.295","0.002","90","","90","","90","","3600.7","0.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C27 H53 B2 F8 Ir N4 O3 P2 -","- C27 H53 B2 F8 Ir N4 O3 P2 -","- C108 H212 B8 F32 Ir4 N16 O12 P8 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71073","MoKα","","0.0396","0.0354","","","0.0713","0.0728","","","","","","1.088","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510033","10.6139","0.0003","10.4084","0.0003","27.7107","0.0019","90","","96.783","0.007","90","","3039.9","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 B2 F8 Ir N4 O P -","- C24 H44 B2 F8 Ir N4 O P -","- C96 H176 B8 F32 Ir4 N16 O4 P4 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71073","MoKα","","0.0392","0.0312","","","0.0678","0.0719","","","","","","1.057","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510034","15.4119","0.0003","10.641","0.0002","20.2231","0.0014","90","","102.973","0.007","90","","3231.9","0.3","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H45 B2 F8 Ir N4 P4 -","- C20 H45 B2 F8 Ir N4 P4 -","- C80 H180 B8 F32 Ir4 N16 P16 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","1.54178","CuKα","","0.1051","0.0844","","","0.2288","0.2487","","","","","","1.083","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510035","10.6892","0.0003","27.0455","0.0008","9.0785","0.0003","90","","108.475","0.001","90","","2489.28","0.13","100","2","99.97","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 N Ni O P -","- C28 H36 N Ni O P -","- C112 H144 N4 Ni4 O4 P4 -","4","1","","Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.","Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group","ACS Catalysis","2014","4","3","999","","10.1021/cs500114b","","x-ray","1.54178","CuKα","","0.0305","0.0286","","","0.0763","0.0777","","","","","","1.04","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510036","16.4657","0.0005","18.901","0.0006","16.0566","0.0005","90","","112.481","0.001","90","","4617.4","0.3","100","2","100.01","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H52 N2 Ni O6 S2 -","- C53 H52 N2 Ni O6 S2 -","- C212 H208 N8 Ni4 O24 S8 -","4","1","","Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.","Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group","ACS Catalysis","2014","4","3","999","","10.1021/cs500114b","","x-ray","1.54178","CuKα","","0.0421","0.0418","","","0.1068","0.1072","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510037","10.1443","0.0004","10.6795","0.0005","11.1867","0.0005","89.583","0.002","69.987","0.002","83.908","0.002","1131.76","0.09","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H32 N Ni O3 P S -","- C22 H32 N Ni O3 P S -","- C44 H64 N2 Ni2 O6 P2 S2 -","2","1","","Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.","Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group","ACS Catalysis","2014","4","3","999","","10.1021/cs500114b","","x-ray","0.71073","MoKα","","0.0689","0.0406","","","0.0849","0.0951","","","","","","1.029","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510383","8.8426","0.0004","7.5945","0.0004","12.9242","0.0006","90","","90.186","0.004","90","","867.92","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 O4 P -","- C19 H17 O4 P -","- C38 H34 O8 P2 -","2","1","","Zhou, Yougui; Zhang, Xuepeng; Liang, Huiyi; Cao, Zhenkun; Zhao, Xiaoyu; He, Yuwei; Wang, Shouliang; Pang, Jiyan; Zhou, Zhongyuan; Ke, Zhuofeng; Qiu, Liqin","Enantioselective Synthesis of Axially Chiral Biaryl Monophosphine Oxides via Direct Asymmetric Suzuki Coupling and DFT Investigations of the Enantioselectivity","ACS Catalysis","2014","4","5","1390","","10.1021/cs500208n","","","0.71073","MoKα","","0.0891","0.045","","","0.0977","0.1159","","","","","","1.003","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510384","10.228","0.0002","20.6215","0.0005","21.8081","0.0005","90","","90","","90","","4599.69","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 O2 P -","- C29 H21 O2 P -","- C232 H168 O16 P8 -","8","2","","Zhou, Yougui; Zhang, Xuepeng; Liang, Huiyi; Cao, Zhenkun; Zhao, Xiaoyu; He, Yuwei; Wang, Shouliang; Pang, Jiyan; Zhou, Zhongyuan; Ke, Zhuofeng; Qiu, Liqin","Enantioselective Synthesis of Axially Chiral Biaryl Monophosphine Oxides via Direct Asymmetric Suzuki Coupling and DFT Investigations of the Enantioselectivity","ACS Catalysis","2014","4","5","1390","","10.1021/cs500208n","","","0.71073","MoKα","","0.075","0.0405","","","0.0816","0.095","","","","","","1","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510477","10.6617","0.0003","24.3076","0.0007","15.0889","0.0003","90","","90.1235","0.0005","90","","3910.44","0.18","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(2S,2'S)-1,1'-bis((3-phenylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C36 H39 F6 Mn N4 O6.5 S2 -","- C36 H39 F6 Mn N4 O6.5 S2 -","- C144 H156 F24 Mn4 N16 O26 S8 -","4","2","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","0.71073","MoKα","","0.0464","0.0404","","","0.1048","0.108","","","","","","1.033","","","","has coordinates,has disorder","301843","2025-08-21","01:58:35",""
"4510478","9.6677","0.0002","15.7748","0.0004","11.2312","0.0003","90","","105.41","0.001","90","","1651.25","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(2S,2'S)-1,1'-bis(isoquinolin-3-ylmethyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C30 H30 F6 Mn N4 O6 S2 -","- C30 H30 F6 Mn N4 O6 S2 -","- C60 H60 F12 Mn2 N8 O12 S4 -","2","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","1.54178","CuKα","","0.0216","0.0214","","","0.0561","0.0562","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510479","17.4006","0.0007","17.4254","0.0008","11.0395","0.0005","90","","90","","90","","3347.3","0.3","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","(2S,2'S)-1,1'-bis((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C28 H38 F6 Mn N4 O8 S2 -","- C28 H38 F6 Mn N4 O8 S2 -","- C112 H152 F24 Mn4 N16 O32 S8 -","4","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","0.71073","MoKα","","0.054","0.0529","","","0.1396","0.1407","","","","","","1.118","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510480","32.4626","0.0012","32.4626","0.0012","32.4626","0.0012","90","","90","","90","","34210","2","150","2","150","2","","","","","","","","7","I 2 3","I 2 2 3","197","","(2S,2'S)-1,1'-bis((4-amino-3,5-dimethylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C26 H36 F6 Mn N6 O6 S2 -","- C25.5 H32 F4.5 Mn N6 O5 S2 -","- C612 H768 F108 Mn24 N144 O120 S48 -","24","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","0.71073","MoKα","","0.1646","0.1464","","","0.3904","0.4224","","","","","","2.157","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510481","8.6096","0.0002","19.9107","0.0005","11.0566","0.0003","90","","110.506","0.0008","90","","1775.26","0.08","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(2S,2'S)-1,1'-bis((4-dimethylamino-3,5-dimethylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C30 H44 F6 Mn N6 O6 S2 -","- C30 H44 F6 Mn N6 O6 S2 -","- C60 H88 F12 Mn2 N12 O12 S4 -","2","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","0.71073","MoKα","","0.0328","0.0314","","","0.0837","0.0847","","","","","","1.028","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510813","15.433","0.002","29.985","0.005","15.798","0.002","90","","119.094","0.008","90","","6388.2","1.6","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C115 H96 Cl25 N8 O8 Pd4 Ru2 S4 -","- C115 H96 Cl25 N8 O8 Pd4 Ru2 S4 -","- C230 H192 Cl50 N16 O16 Pd8 Ru4 S8 -","2","1","","Hellmuth, Tina; Rieckhoff, Stefan; Weiss, Marcel; Dorst, Konstantin; Frey, Wolfgang; Peters, René","Cooperative Bimetallic Asymmetric Catalysis: Comparison of a Planar Chiral Ruthenocene Bis-Palladacycle to the Corresponding Ferrocene","ACS Catalysis","2014","4","6","1850","","10.1021/cs500393x","","","0.71073","MoKα","","0.1074","0.0835","","","0.1896","0.2032","","","","","","1.065","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510814","11.5116","0.0005","13.6607","0.0006","39.4718","0.0017","90","","90","","90","","6207.2","0.5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C65 H56 Cl4 N4 O4 Pd2 Ru2 S2 -","- C65 H56 Cl4 N4 O4 Pd2 Ru2 S2 -","- C260 H224 Cl16 N16 O16 Pd8 Ru8 S8 -","4","1","","Hellmuth, Tina; Rieckhoff, Stefan; Weiss, Marcel; Dorst, Konstantin; Frey, Wolfgang; Peters, René","Cooperative Bimetallic Asymmetric Catalysis: Comparison of a Planar Chiral Ruthenocene Bis-Palladacycle to the Corresponding Ferrocene","ACS Catalysis","2014","4","6","1850","","10.1021/cs500393x","","","1.54178","CuKα","","0.0354","0.0339","","","0.0855","0.0863","","","","","","1.042","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510942","35.108","0.005","12.2811","0.0007","18.782","0.003","90","","140.71","0.03","90","","5128","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Br N3 Pd -","- C30 H28 Br N3 Pd -","- C240 H224 Br8 N24 Pd8 -","8","1","","Sabater, Sara; Mata, Jose A.; Peris, Eduardo","Catalyst Enhancement and Recyclability by Immobilization of Metal Complexes onto Graphene Surface by Noncovalent Interactions","ACS Catalysis","2014","4","6","2038","","10.1021/cs5003959","","","0.71073","MoKα","","0.0526","0.038","","","0.0956","0.1048","","","","","","1.066","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4511609","14.6916","0.0003","19.3357","0.0003","12.8728","0.0003","90","","111.282","0.001","90","","3407.43","0.12","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H34 Br0.56 Cl0.44 N5 O Ru -","- C32 H34 Br0.56 Cl0.44 N5 O Ru -","- C128 H136 Br2.24 Cl1.76 N20 O4 Ru4 -","4","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0201","0.0183","","","0.0445","0.0449","","","","","","1.046","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511610","10.2126","0.0003","12.2383","0.0003","16.6522","0.0004","96.359","0.001","100.516","0.002","101.949","0.001","1977.96","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H37 B F4 N6 O Ru -","- C34 H37 B F4 N6 O Ru -","- C68 H74 B2 F8 N12 O2 Ru2 -","2","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0262","0.0229","","","0.0583","0.0597","","","","","","1.039","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511611","21.7318","0.0006","11.4791","0.0003","30.4353","0.0007","90","","107.522","0.001","90","","7240.2","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H41 Br N6 O2 Ru -","- C35 H41 Br N6 O2 Ru -","- C280 H328 Br8 N48 O16 Ru8 -","8","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0291","0.0253","","","0.0593","0.0607","","","","","","1.103","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511612","13.7607","0.0004","17.3199","0.0005","18.3721","0.0005","90","","108.243","0.002","90","","4158.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H49 Br N6 O Ru -","- C40 H49 Br N6 O Ru -","- C160 H196 Br4 N24 O4 Ru4 -","4","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0888","0.0554","","","0.1457","0.1622","","","","","","1.039","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511613","18.358","0.0009","14.6031","0.0008","14.0683","0.0007","90","","93.583","0.003","90","","3764.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 Br N6 O2 Ru -","- C40 H43 Br N6 O2 Ru -","- C160 H172 Br4 N24 O8 Ru4 -","4","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.056","0.0369","","","0.0866","0.0942","","","","","","1.036","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511614","10.6089","0.0003","15.4581","0.0002","18.9255","0.0004","70.365","0.001","88.255","0.001","84.453","0.001","2909.49","0.11","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H67 Br0.65 Cl0.35 N7 O P Ru -","- C60 H67 Br0.65 Cl0.35 N7 O P Ru -","- C120 H134 Br1.3 Cl0.7 N14 O2 P2 Ru2 -","2","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0356","0.0286","","","0.0672","0.0697","","","","","","1.045","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511615","8.6291","0.0004","15.0143","0.0006","16.9802","0.0007","88.131","0.002","88.041","0.002","86.19","0.002","2192.79","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H29 N2 O3 P Ru -","- C21 H29 N2 O3 P Ru -","- C84 H116 N8 O12 P4 Ru4 -","4","2","","Hu, Peng; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Reusable Homogeneous Catalytic System for Hydrogen Production from Methanol and Water","ACS Catalysis","2014","4","8","2649","","10.1021/cs500937f","","","0.71073","MoKα","","0.0738","0.041","","","0.079","0.0906","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511620","8.3808","0.0007","10.8134","0.0009","11.15","0.0009","75.083","0.002","88.217","0.002","87.818","0.002","975.47","0.14","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O9 -","- C19 H24 O9 -","- C38 H48 O18 -","2","1","","Venkataramanan, Balasubramaniam; James, Wong Ling Guan; Vittal, Jagadese J.; Suresh, Valiyaveettil","Synthesis and Solid-State Self-Assembly of Polyphenols","Crystal Growth & Design","2004","4","3","553","","10.1021/cg0341508","","","0.71073","MoKα","","0.0692","0.0521","","","0.1167","0.1227","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511621","12.428","0.002","18.546","0.003","7.5612","0.0012","90","","115","0.003","90","","1579.5","0.4","223","2","223","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","1","","Venkataramanan, Balasubramaniam; James, Wong Ling Guan; Vittal, Jagadese J.; Suresh, Valiyaveettil","Synthesis and Solid-State Self-Assembly of Polyphenols","Crystal Growth & Design","2004","4","3","553","","10.1021/cg0341508","","","0.71073","MoKα","","0.0983","0.0529","","","0.0774","0.0867","","","","","","1.01","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511622","5.1773","0.0007","15.729","0.002","9.0925","0.0012","90","","101.548","0.003","90","","725.45","0.17","223","2","223","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C38 H32 O6 -","2","1","","Venkataramanan, Balasubramaniam; James, Wong Ling Guan; Vittal, Jagadese J.; Suresh, Valiyaveettil","Synthesis and Solid-State Self-Assembly of Polyphenols","Crystal Growth & Design","2004","4","3","553","","10.1021/cg0341508","","","0.71073","MoKα","","0.1146","0.0596","","","0.1224","0.1751","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511623","24.172","0.008","24.212","0.008","33.226","0.011","91.724","0.006","91.854","0.006","107.513","0.006","18518","11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C251 H140 Cu24 N3 O162 -","- C251 H140 Cu24 N3 O162 -","- C502 H280 Cu48 N6 O324 -","2","1","","McManus, Gregory J.; Wang, Zhenqiang; Zaworotko, Michael J.","Suprasupermolecular Chemistry: Infinite Networks from Nanoscale Metal−Organic Building Blocks†","Crystal Growth & Design","2004","4","1","11","","10.1021/cg034199d","","","0.71073","MoKα","","0.3285","0.166","","","0.3744","0.4806","","","","","","1.009","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511624","30.4712","0.0011","46.5263","0.0017","30.4916","0.0011","90","","98.478","0.001","90","","42756","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C298 H121 Cu17 N25 O137 S12 -","- C596 H242 Cu34 N50 O274 S24 -","- C1192 H484 Cu68 N100 O548 S48 -","2","0.5","","McManus, Gregory J.; Wang, Zhenqiang; Zaworotko, Michael J.","Suprasupermolecular Chemistry: Infinite Networks from Nanoscale Metal−Organic Building Blocks†","Crystal Growth & Design","2004","4","1","11","","10.1021/cg034199d","","","0.71073","MoKα","","0.2117","0.1829","","","0.4509","0.4675","","","","","","1.118","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511625","8.3595","0.0002","11.3634","0.0003","16.3161","0.0005","90","","102.265","0.002","90","","1514.53","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O7 Zn2 -","- C13 H14 N2 O7 Zn2 -","- C52 H56 N8 O28 Zn8 -","4","1","","Shi, Zhan; Li, Guanghua; Wang, Lei; Gao, Lu; Chen, Xiaobo; Hua, Jia; Feng, Shouhua","Two Three-Dimensional Metal−Organic Frameworks from Secondary Building Units of Zn8(OH)4(O2C−)12and Zn2((OH)(O2C−)3: [Zn2(OH)(btc)]2(4,4‘-bipy) and Zn2(OH)(btc)(pipe)","Crystal Growth & Design","2004","4","1","25","","10.1021/cg034084+","","","0.71073","MoKα","","0.028","0.0233","","","0.0589","0.0602","","","","","","1.038","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511626","16.3235","0.0009","16.3235","0.0009","11.6695","0.0009","90","","90","","90","","3109.4","0.3","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C28 H16 N2 O14 Zn4 -","- C28 H8 N2 O14 Zn4 -","- C112 H32 N8 O56 Zn16 -","4","0.25","","Shi, Zhan; Li, Guanghua; Wang, Lei; Gao, Lu; Chen, Xiaobo; Hua, Jia; Feng, Shouhua","Two Three-Dimensional Metal−Organic Frameworks from Secondary Building Units of Zn8(OH)4(O2C−)12and Zn2((OH)(O2C−)3: [Zn2(OH)(btc)]2(4,4‘-bipy) and Zn2(OH)(btc)(pipe)","Crystal Growth & Design","2004","4","1","25","","10.1021/cg034084+","","","0.71073","MoKα","","0.0619","0.0501","","","0.1261","0.1338","","","","","","1.06","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511628","15.784","0.0009","10.3015","0.0005","19.7923","0.0009","90","","90.938","0.004","90","","3217.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 N O6 P Pd S -","- C31 H34 N O6 P Pd S -","- C124 H136 N4 O24 P4 Pd4 S4 -","4","1","","Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan","Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization","ACS Catalysis","2014","4","8","2672","","10.1021/cs5005954","","","0.71073","MoKα","","0.0954","0.0761","","","0.2061","0.2189","","","","","","1.066","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511629","9.5988","0.0005","8.6559","0.0003","29.9833","0.0016","90","","106.094","0.004","90","","2393.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N O5 P Pd S -","- C26 H26 N O5 P Pd S -","- C104 H104 N4 O20 P4 Pd4 S4 -","4","1","","Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan","Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization","ACS Catalysis","2014","4","8","2672","","10.1021/cs5005954","","","0.71073","MoKα","","0.0463","0.0344","","","0.0852","0.0901","","","","","","1.042","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511630","9.6353","0.0006","10.7338","0.0006","13.7048","0.0008","103.819","0.005","93.508","0.005","106.9","0.004","1303.85","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H54 Cl2 Li2 O12 P2 Pd2 S2 -","- C48 H54 Cl2 Li2 O12 P2 Pd2 S2 -","- C48 H54 Cl2 Li2 O12 P2 Pd2 S2 -","1","0.5","","Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan","Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization","ACS Catalysis","2014","4","8","2672","","10.1021/cs5005954","","","0.71073","MoKα","","0.0388","0.0308","","","0.0683","0.0719","","","","","","1.069","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511631","13.7944","0.0007","9.9669","0.0003","22.1792","0.001","90","","120.694","0.003","90","","2622.2","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N O6 P Pd S -","- C27 H28 N O6 P Pd S -","- C108 H112 N4 O24 P4 Pd4 S4 -","4","1","","Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan","Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization","ACS Catalysis","2014","4","8","2672","","10.1021/cs5005954","","","0.71073","MoKα","","0.0492","0.0393","","","0.0857","0.0892","","","","","","1.092","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511643","6.384","0.003","11.747","0.005","17.072","0.007","90","","90","","90","","1280.3","1","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Br F3 O2 -","- C13 H10 Br F3 O2 -","- C52 H40 Br4 F12 O8 -","4","1","","Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis","ACS Catalysis","2014","4","8","2696","","10.1021/cs500667g","","","0.71075","MoKα","","","0.0409","","","","0.0977","","","","","","0.771","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511644","8.1604","0.0015","9.5399","0.0018","9.6845","0.0018","90","","109.041","0.008","90","","712.7","0.2","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 Br F3 O2 -","- C14 H12 Br F3 O2 -","- C28 H24 Br2 F6 O4 -","2","1","","Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis","ACS Catalysis","2014","4","8","2696","","10.1021/cs500667g","","","0.71075","MoKα","","","0.0464","","","","0.117","","","","","","0.911","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511645","6.043","0.0007","7.8416","0.0009","29.273","0.004","90","","90","","90","","1387.2","0.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br F3 O2 -","- C13 H14 Br F3 O2 -","- C52 H56 Br4 F12 O8 -","4","1","","Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis","ACS Catalysis","2014","4","8","2696","","10.1021/cs500667g","","","0.71075","MoKα","","","0.0682","","","","0.1435","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511667","8.2619","0.0019","7.6594","0.0017","12.583","0.003","90","","99.974","0.004","90","","784.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H12 I N O -","- C19 H12 I N O -","- C38 H24 I2 N2 O2 -","2","1","","Gao, De-Wei; Gu, Qing; You, Shu-Li","Pd(II)-Catalyzed Intermolecular Direct C–H Bond Iodination: An Efficient Approach toward the Synthesis of Axially Chiral Compounds via Kinetic Resolution","ACS Catalysis","2014","4","8","2741","","10.1021/cs500813z","","","0.71073","MoKα","","0.0266","0.0249","","","0.0625","0.0638","","","","","","0.999","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511670","23.4392","0.0007","12.8809","0.0003","20.9819","0.0006","90","","108.654","0.003","90","","6002","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H70 Cl10 N4 Ru2 -","- C56 H70 Cl10 N4 Ru2 -","- C224 H280 Cl40 N16 Ru8 -","4","0.5","","Gonell, Sergio; Peris, Eduardo","Pyrene-Based Mono- and Di-N-Heterocyclic Carbene Ligand Complexes of Ruthenium for the Preparation of Mixed Arylated/Alkylated Arylpyridines","ACS Catalysis","2014","4","8","2811","","10.1021/cs500735u","","","1.54184","CuKα","","0.0808","0.0635","","","0.1794","0.1913","","","","","","1.069","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511774","11.354","0.004","14.53","0.005","14.976","0.006","90","","90","","90","","2470.6","1.6","98","2","98","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 Cl N Ni P2 -","- C22 H42 Cl N Ni P2 -","- C88 H168 Cl4 N4 Ni4 P8 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0712","0.0578","","","0.1188","0.1314","","","","","","1.035","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511775","18.924","0.003","18.924","0.003","19.322","0.003","90","","90","","90","","6919.6","1.9","98","2","98","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C36 H56 N2 Ni P2 -","- C36 H56 N2 Ni P2 -","- C288 H448 N16 Ni8 P16 -","8","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C–S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0342","0.0332","","","0.0819","0.0825","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511776","18.927","0.003","18.927","0.003","19.275","0.003","90","","90","","90","","6904.9","1.9","98","2","98","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C36 H55 N Ni O P2 -","- C36 H55 N Ni O P2 -","- C288 H440 N8 Ni8 O8 P16 -","8","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C–S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.042","0.039","","","0.0929","0.0953","","","","","","1.014","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511777","14.1636","0.0008","11.3071","0.0005","18.0536","0.0012","90","","90.216","0.006","90","","2891.2","0.3","98","2","98","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C36 H31 N Ni O P2 -","- C36 H31 N Ni O P2 -","- C144 H124 N4 Ni4 O4 P8 -","4","2","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C–S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0397","0.0349","","","0.0857","0.0883","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511778","11.218","0.004","17.049","0.006","20.543","0.008","90","","103.831","0.006","90","","3815","2","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H61 N Ni P2 S -","- C42 H61 N Ni P2 S -","- C168 H244 N4 Ni4 P8 S4 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0738","0.0585","","","0.1295","0.1434","","","","","","1.018","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511779","10.107","0.004","17.521","0.008","17.023","0.007","90","","90","","90","","3015","2","98","2","98","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H31 N Ni P2 S -","- C36 H31 N Ni P2 S -","- C144 H124 N4 Ni4 P8 S4 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0563","0.0473","","","0.0963","0.1045","","","","","","1.028","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511780","10.3866","0.0011","18.0201","0.0018","15.5109","0.0015","90","","92.576","0.007","90","","2900.2","0.5","98","2","98","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46.8 Cl0.2 N Ni O0.8 P2 -","- C30 H46.8 Cl0.2 N Ni O0.8 P2 -","- C120 H187.2 Cl0.8 N4 Ni4 O3.2 P8 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0675","0.0562","","","0.1199","0.126","","","","","","0.994","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511781","10.2239","0.0008","18.5337","0.0015","15.7104","0.0012","90","","91.024","0.001","90","","2976.4","0.4","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H51 N Ni P2 S -","- C30 H51 N Ni P2 S -","- C120 H204 N4 Ni4 P8 S4 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0376","0.0352","","","0.0929","0.095","","","","","","1.004","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511782","12.2559","0.0007","15.9677","0.0009","19.9262","0.001","90","","102.37","0.002","90","","3809","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ni(dcpe)2CH3CN2","","","- C32 H57 B2 F8 N3 Ni P2 -","- C32 H57 B2 F8 N3 Ni P2 -","- C128 H228 B8 F32 N12 Ni4 P8 -","4","1","","Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.; Helm, Monte L.; Appel, Aaron M.","Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines","ACS Catalysis","2014","4","9","2951","","10.1021/cs500853f","","","0.71073","MoKα","","0.0484","0.0388","","","0.0973","0.1031","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511783","10.6454","0.0009","10.5867","0.0009","17.3734","0.0015","90","","90.393","0.005","90","","1957.9","0.3","140","","140","","","","","","","","","7","P 1 21 1","P 2yb","4","","[Ni(PtBu2NtBu2)(CH3CN)2](BF4)2","","- C26 H53 B2 F8 N5 Ni P2 -","- C26 H53 B2 F8 N5 Ni P2 -","- C52 H106 B4 F16 N10 Ni2 P4 -","2","1","","Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.; Helm, Monte L.; Appel, Aaron M.","Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines","ACS Catalysis","2014","4","9","2951","","10.1021/cs500853f","","","0.71073","MoKα","","0.0849","0.0766","","","0.2093","0.2164","","","","","","1.077","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511784","14.8297","0.0008","11.6379","0.0006","43.244","0.002","90","","92.88","0.002","90","","7453.9","0.7","100","","100","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","[HNi(PtBu2NPh2)](BF4)","","- C148 H222 B3 F12 N14 Ni3 P12 -","- C148 H222 B3 F12 N14 Ni3 P12 -","- C296 H444 B6 F24 N28 Ni6 P24 -","2","0.5","","Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.; Helm, Monte L.; Appel, Aaron M.","Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines","ACS Catalysis","2014","4","9","2951","","10.1021/cs500853f","","","0.71073","MoKα","","0.0691","0.0405","","","0.0805","0.0903","","","","","","1.011","","","","has coordinates,has disorder","301843","2025-08-21","01:58:37",""
"4511901","15.2261","0.0005","11.1905","0.0004","17.3055","0.0006","90","","90","","90","","2948.64","0.18","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H40 Cl Ir P2 -","- C32 H40 Cl Ir P2 -","- C128 H160 Cl4 Ir4 P8 -","4","1","","Bézier, David; Brookhart, Maurice","Applications of PC(sp3)P Iridium Complexes in Transfer Dehydrogenation of Alkanes","ACS Catalysis","2014","4","10","3411","","10.1021/cs500892p","","","1.54178","CuKα","","0.0163","0.0161","","","0.0372","0.0373","","","","","","1.074","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511978","18.0562","0.0008","14.0451","0.0007","22.0832","0.0009","90","","113.61","0.002","90","","5131.5","0.4","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H74 O P4 Pd2 S4 -","- C46 H74 O P4 Pd2 S4 -","- C184 H296 O4 P16 Pd8 S16 -","4","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2014","4","10","3605","","10.1021/cs5010322","","x-ray","0.71073","MoKα","","0.0462","0.0335","","","0.104","0.1294","","","","","","1.102","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511979","10.2156","0.0003","16.2747","0.0005","26.6821","0.0008","91.603","0.001","90.239","0.002","103.725","0.001","4307.4","0.2","193","2","193","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C75 H138 Cl4 N2 P4 Pd2 S4 -","- C75 H138 Cl4 N2 P4 Pd2 S4 -","- C150 H276 Cl8 N4 P8 Pd4 S8 -","2","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2014","4","10","3605","","10.1021/cs5010322","","x-ray","0.71073","MoKα","","0.0394","0.031","","","0.0703","0.0752","","","","","","1.061","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511980","10.209","0.0002","11.5382","0.0002","15.259","0.0011","72.37","0.005","89.09","0.006","66.272","0.005","1556.57","0.15","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O6 -","- C18 H16 O6 -","- C72 H64 O24 -","4","2","","Mbofana, Curren T.; Miller, Scott J.","Phosphine-Catalyzed Annulation Reactions of 2-Butynoate and α-Keto Esters: Synthesis of Cyclopentene Derivatives","ACS Catalysis","2014","4","10","3671","","10.1021/cs501117h","","","1.54187","CuKα","","0.041","0.0377","","","0.0991","0.1027","","","","","","1.075","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511995","8.8946","0.0019","9.599","0.002","14.595","0.003","105.46","0.006","94.446","0.006","114.78","0.006","1064.6","0.4","143","","143.15","","","","","","","","","5","P -1","-P 1","2","","[VerkadesH][HCO3]","","- C16 H39 N4 O5 P -","- C16 H39 N4 O5 P -","- C32 H78 N8 O10 P2 -","2","1","","Jeletic, Matthew S.; Helm, Monte L.; Hulley, Elliott B.; Mock, Michael T.; Appel, Aaron M.; Linehan, John C.","A Cobalt Hydride Catalyst for the Hydrogenation of CO2: Pathways for Catalysis and Deactivation","ACS Catalysis","2014","4","10","3755","","10.1021/cs5009927","","","0.71073","MoKα","","0.1368","0.0684","","","0.1579","0.1909","","","","","","1.033","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511996","9.492","0.0008","10.0652","0.0009","11.6878","0.001","72.135","0.002","84.493","0.003","64.509","0.002","958.49","0.14","145","","145","","","","","","","","","5","P -1","-P 1","2","","[VerkaedeH][Formate)","","- C16 H35 N4 O2 P -","- C16 H35 N4 O2 P -","- C32 H70 N8 O4 P2 -","2","1","","Jeletic, Matthew S.; Helm, Monte L.; Hulley, Elliott B.; Mock, Michael T.; Appel, Aaron M.; Linehan, John C.","A Cobalt Hydride Catalyst for the Hydrogenation of CO2: Pathways for Catalysis and Deactivation","ACS Catalysis","2014","4","10","3755","","10.1021/cs5009927","","","0.71073","MoKα","","0.065","0.0448","","","0.1109","0.1222","","","","","","1.021","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4512057","9.64383","0.00015","5.51183","0.00007","14.44803","0.00018","90","","95.6537","0.0013","90","","764.251","0.018","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O6 -","- C16 H22 O6 -","- C32 H44 O12 -","2","1","","Kim, Junghwa; Lee, Dong-Hwan; Kalutharage, Nishantha; Yi, Chae S.","Selective Catalytic Synthesis of Unsymmetrical Ethers from the Dehydrative Etherification of Two Different Alcohols","ACS Catalysis","2014","4","11","3881","","10.1021/cs5012537","","","1.5418","CuKα","","0.0274","0.0271","","","0.0703","0.0705","","","","","","1.065","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512058","12.0622","0.0003","9.18339","0.00018","13.6306","0.0003","90","","94.3","0.002","90","","1505.64","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C35 H54 O2 -","- C35 H54 O2 -","- C70 H108 O4 -","2","1","","Kim, Junghwa; Lee, Dong-Hwan; Kalutharage, Nishantha; Yi, Chae S.","Selective Catalytic Synthesis of Unsymmetrical Ethers from the Dehydrative Etherification of Two Different Alcohols","ACS Catalysis","2014","4","11","3881","","10.1021/cs5012537","","","1.54184","CuKα","","0.0549","0.0474","","","0.1138","0.1222","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512105","11.7801","0.0007","14.2655","0.0008","17.1787","0.001","88.278","0.001","80.64","0.001","69.608","0.001","2668.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H31 Cl Ir N2 O2 P -","- C44 H31 Cl Ir N2 O2 P -","- C88 H62 Cl2 Ir2 N4 O4 P2 -","2","1","","Wang, Dawei; Zhao, Keyan; Xu, Chongying; Miao, Hongyan; Ding, Yuqiang","Synthesis, Structures of Benzoxazolyl Iridium(III) Complexes, and Applications on C‒C and C‒N Bond Formation Reactions under Solvent-Free Conditions: Catalytic Activity Enhanced by Noncoordinating Anion without Silver Effect","ACS Catalysis","2014","4","11","3910","","10.1021/cs5009909","","","0.71073","MoKα","","0.0408","0.0351","","","0.1125","0.1172","","","","","","1.068","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512106","9.2237","0.001","23.848","0.003","16.3363","0.0017","90","","103.348","0.002","90","","3496.4","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43 Cl Ir N2 O2 P -","- C38 H43 Cl Ir N2 O2 P -","- C152 H172 Cl4 Ir4 N8 O8 P4 -","4","1","","Wang, Dawei; Zhao, Keyan; Xu, Chongying; Miao, Hongyan; Ding, Yuqiang","Synthesis, Structures of Benzoxazolyl Iridium(III) Complexes, and Applications on C‒C and C‒N Bond Formation Reactions under Solvent-Free Conditions: Catalytic Activity Enhanced by Noncoordinating Anion without Silver Effect","ACS Catalysis","2014","4","11","3910","","10.1021/cs5009909","","","0.71073","MoKα","","0.0834","0.0504","","","0.1067","0.1212","","","","","","1.031","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512210","11.8005","0.0006","12.088","0.0006","18.1433","0.001","101.21","0.002","93.076","0.002","105.213","0.002","2434.7","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H51 B Cl6 Cu N7 O -","- C46 H51 B Cl6 Cu N7 O -","- C92 H102 B2 Cl12 Cu2 N14 O2 -","2","1","","Corro, Macarena; Besora, Maria; Maya, Celia; Álvarez, Eleuterio; Urbano, Juan; Fructos, Manuel R.; Maseras, Feliu; Pérez, Pedro J.","Catalytic Copper-Mediated Ring Opening and Functionalization of Benzoxazoles","ACS Catalysis","2014","4","11","4215","","10.1021/cs5012519","","","0.71073","MoKα","","0.0634","0.0498","","","0.1445","0.1553","","","","","","1.035","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512211","11.1605","0.0003","13.8447","0.0004","19.6313","0.0004","83.707","0.002","80.497","0.001","79.114","0.002","2928.2","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C16.5 H7 B Br9 Cl Cu N7 S -","- C16.5 H7 B Br9 Cl Cu N7 S -","- C66 H28 B4 Br36 Cl4 Cu4 N28 S4 -","4","2","","Corro, Macarena; Besora, Maria; Maya, Celia; Álvarez, Eleuterio; Urbano, Juan; Fructos, Manuel R.; Maseras, Feliu; Pérez, Pedro J.","Catalytic Copper-Mediated Ring Opening and Functionalization of Benzoxazoles","ACS Catalysis","2014","4","11","4215","","10.1021/cs5012519","","","0.71073","MoKα","","0.074","0.0388","","","0.0653","0.0731","","","","","","1.009","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512212","7.9337","0.0003","8.6976","0.0003","11.8982","0.0005","110.549","0.002","102.752","0.002","93.549","0.003","741.04","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Corro, Macarena; Besora, Maria; Maya, Celia; Álvarez, Eleuterio; Urbano, Juan; Fructos, Manuel R.; Maseras, Feliu; Pérez, Pedro J.","Catalytic Copper-Mediated Ring Opening and Functionalization of Benzoxazoles","ACS Catalysis","2014","4","11","4215","","10.1021/cs5012519","","","0.71073","MoKα","","0.0532","0.0431","","","0.1031","0.1092","","","","","","1.041","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512224","24.481","0.004","13.201","0.002","20.184","0.003","90","","93.847","0.002","90","","6508.2","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Cl N4 Rh -","- C34 H46 Cl N4 Rh -","- C272 H368 Cl8 N32 Rh8 -","8","2","","Azpíroz, Ramón; Rubio-Pérez, Laura; Di Giuseppe, Andrea; Passarelli, Vincenzo; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Rhodium(I)-N-Heterocyclic Carbene Catalyst for Selective Coupling ofN-Vinylpyrazoles with Alkynes via C‒H Activation","ACS Catalysis","2014","4","12","4244","","10.1021/cs501366q","","","0.71073","MoKα","","0.0719","0.0468","","","0.0802","0.0892","","","","","","1.094","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512225","15.579","0.0011","13.803","0.001","18.6728","0.0013","90","","112.173","0.001","90","","3718.4","0.5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H51 Cl N5 Rh -","- C39 H51 Cl N5 Rh -","- C156 H204 Cl4 N20 Rh4 -","4","1","","Azpíroz, Ramón; Rubio-Pérez, Laura; Di Giuseppe, Andrea; Passarelli, Vincenzo; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Rhodium(I)-N-Heterocyclic Carbene Catalyst for Selective Coupling ofN-Vinylpyrazoles with Alkynes via C‒H Activation","ACS Catalysis","2014","4","12","4244","","10.1021/cs501366q","","","0.71073","MoKα","","0.0499","0.0387","","","0.07","0.0748","","","","","","1.077","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512242","10.08","0.002","20.648","0.004","13.183","0.003","90","","107.503","0.003","90","","2616.8","0.9","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 N3 O7 S2 -","- C26 H27 N3 O7 S2 -","- C104 H108 N12 O28 S8 -","4","2","","Ohmatsu, Kohsuke; Kawai, Shinya; Imagawa, Naomichi; Ooi, Takashi","Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of 5-Vinyloxazolidinones with Imines Using Chiral Ammonium-Phosphine Hybrid Ligand","ACS Catalysis","2014","4","12","4304","","10.1021/cs501369z","","","0.71075","MoKα","","0.0807","0.0475","","","0.105","0.1308","","","","","","0.963","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512275","5.8543","0.0005","22.954","0.003","8.9509","0.0009","90","","96.206","0.004","90","","1195.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl O -","- C15 H11 Cl O -","- C60 H44 Cl4 O4 -","4","1","","Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong","Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides","ACS Catalysis","2014","4","12","4485","","10.1021/cs501326p","","","0.71073","MoKα","","0.0379","0.0304","","","0.0829","0.1085","","","","","","1.174","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512276","5.8215","0.0003","8.3087","0.0004","33.2148","0.0016","90","","94.567","0.001","90","","1601.47","0.14","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O -","- C22 H18 O -","- C88 H72 O4 -","4","1","","Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong","Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides","ACS Catalysis","2014","4","12","4485","","10.1021/cs501326p","","","0.71073","MoKα","","0.0744","0.0486","","","0.1119","0.1252","","","","","","1.017","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512277","12.7973","0.0006","6.1187","0.0002","16.9311","0.0008","90","","101.782","0.002","90","","1297.82","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O -","- C17 H16 O -","- C68 H64 O4 -","4","1","","Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong","Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides","ACS Catalysis","2014","4","12","4485","","10.1021/cs501326p","","","0.71073","MoKα","","0.0563","0.04","","","0.1181","0.1443","","","","","","1.117","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4513415","11.5255","","11.5255","","6.9634","","90","","90","","120","","801.072","","","","","","","","","","","","","6","P 63 m c","P 6c -2c","186","","Nd2 Ba3.259 Sr0.073 Cu0.667 Al2 O10","","- Al2 Ba3.259 Cu0.667 Nd2 O10 Sr0.073 -","- Al2 Ba3.25867 Cu0.666667 Nd2 O10 Sr0.0733333 -","- Al6 Ba9.776 Cu2 Nd6 O30 Sr0.22 -","3","0.25","","Scavini, M.; Mele, P.; Costa, G.A.; Ferretti, M.","Growth and structural characterization of needlelike metastable crystals in the Nd-Ba-Cu-(Al)-O system","Crystal Growth and Design","2004","4","","1259","1263","","","","","","","","","","","","","","","","","","","","","","has coordinates","151586","2020-10-21","18:00:00",""
"4514440","7.6243","0.0015","8.044","0.0016","12.562","0.003","88.72","0.03","83.85","0.03","80.07","0.03","754.5","0.3","153","2","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 Cl4 Mn N2 -","- C10 H12 Cl4 Mn N2 -","- C20 H24 Cl8 Mn2 N4 -","2","1","","Li, Chunyang; Bai, Xianwei; Guo, Yongchang; Zou, Bingsuo","Tunable Emission Properties of Manganese Chloride Small Single Crystals by Pyridine Incorporation.","ACS omega","2019","4","5","8039","8045","10.1021/acsomega.8b03661","","","0.71073","MoKα","","0.0477","0.043","","","0.0936","0.0972","","","","","","1.112","","","","has coordinates","219542","2020-10-21","18:00:00",""
"4514441","11.417","0.002","7.2779","0.0015","11.817","0.002","90","","102.83","0.03","90","","957.4","0.3","153","2","153.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H8 Cl3 Mn N O -","- C5 H8 Cl3 Mn N O -","- C20 H32 Cl12 Mn4 N4 O4 -","4","1","","Li, Chunyang; Bai, Xianwei; Guo, Yongchang; Zou, Bingsuo","Tunable Emission Properties of Manganese Chloride Small Single Crystals by Pyridine Incorporation.","ACS omega","2019","4","5","8039","8045","10.1021/acsomega.8b03661","","","0.71073","MoKα","","0.0333","0.032","","","0.0827","0.0836","","","","","","1.157","","","","has coordinates","219544","2020-10-21","18:00:00",""
"4514932","9.5161","0.0012","30.572","0.004","13.2584","0.0012","90","","125.371","0.006","90","","3145.3","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H33 N O2 -","- C42 H33 N O2 -","- C168 H132 N4 O8 -","4","1","","Yin, Ya; Chen, Zhao; Fan, Congbin; Liu, Gang; Pu, Shouzhi","1,8-Naphthalimide-Based Highly Emissive Luminophors with Various Mechanofluorochromism and Aggregation-Induced Characteristics.","ACS omega","2019","4","10","14324","14332","10.1021/acsomega.9b02110","","","0.71073","MoKα","","0.1797","0.0514","","","0.0733","0.0961","","","","","","0.892","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514933","9.4329","0.0006","15.1034","0.001","26.0725","0.0018","88.912","0.002","88.455","0.002","89.894","0.002","3712.5","0.4","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 N3 O5 P -","- C42 H46 N3 O5 P -","- C168 H184 N12 O20 P4 -","4","2","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","0.71073","MoKα","","0.1214","0.0852","","","0.1926","0.2115","","","","","","1.074","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514934","9.6355","0.0009","10.7583","0.001","17.1049","0.0013","93.228","0.007","98.981","0.007","109.589","0.009","1638.7","0.3","120.15","","120.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H39 N2 O4 P -","- C39 H39 N2 O4 P -","- C78 H78 N4 O8 P2 -","2","1","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","0.71073","MoKα","","0.1062","0.0712","","","0.1629","0.1783","","","","","","1.037","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514935","9.5044","0.0003","23.4379","0.0009","16.1485","0.0006","90","","103.624","0.004","90","","3496.1","0.2","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H43 N2 O5 P -","- C40 H43 N2 O5 P -","- C160 H172 N8 O20 P4 -","4","1","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","x-ray","0.71073","MoKα","","0.0494","0.0384","","","0.0943","0.0986","","","","","","1.074","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514936","13.676","0.003","14.171","0.003","15.193","0.003","75.37","0.03","89.48","0.03","62.42","0.03","2505.2","1.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H64 N5 O4 P -","- C53 H64 N5 O4 P -","- C106 H128 N10 O8 P2 -","2","1","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","0.71073","MoKα","","0.0761","0.0487","","","0.1275","0.1406","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514937","17.3212","0.0007","9.5487","0.0005","22.725","0.001","90","","95.214","0.004","90","","3743","0.3","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H94 N4 O8 P2 -","- C86 H94 N4 O8 P2 -","- C172 H188 N8 O16 P4 -","2","0.5","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","0.71073","MoKα","","0.1343","0.0492","","","0.0922","0.1185","","","","","","0.86","","","","has coordinates","220107","2020-10-21","18:00:00",""
"4514938","9.51","0.005","13.081","0.005","17.645","0.005","94.548","0.005","104.485","0.005","111.12","0.005","1947.3","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H50.4 N3 O7 P -","- C43 H50.4 N3 O7 P -","- C86 H100.8 N6 O14 P2 -","2","1","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","0.71069","MoKα","","0.2243","0.1144","","","0.2617","0.3317","","","","","","1.031","","","","has coordinates,has disorder","220107","2020-10-21","18:00:00",""
"4514939","10.8783","0.0004","17.6185","0.0007","19.0112","0.0007","88.647","0.003","83.371","0.003","88.178","0.003","3616.8","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H84 N2 O11 P2 -","- C82 H84 N2 O11 P2 -","- C164 H168 N4 O22 P4 -","2","1","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","0.71073","MoKα","","0.0707","0.0562","","","0.126","0.1325","","","","","","1.074","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514940","9.8697","0.0001","28.1617","0.0002","14.3794","0.0001","90","","100.735","0.001","90","","3926.77","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H102 Mg N6 O14 P2 -","- C86 H102 Mg N6 O14 P2 -","- C172 H204 Mg2 N12 O28 P4 -","2","0.5","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","1.54184","CuKα","","0.0413","0.0409","","","0.1077","0.1082","","","","","","1.044","","","","has coordinates","220107","2020-10-21","18:00:00",""
"4514941","33.4738","0.0006","10.2253","0.0002","25.1238","0.0004","90","","101.698","0.002","90","","8420.8","0.3","150.15","","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H92 Mg N4 O12 P2 -","- C82 H92 Mg N4 O12 P2 -","- C328 H368 Mg4 N16 O48 P8 -","4","0.5","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","x-ray","1.54184","CuKα","","0.0603","0.0539","","","0.1493","0.1591","","","","","","1.072","","","","has coordinates","220107","2020-10-21","18:00:00",""
"4514942","11.4475","0.0006","12.6239","0.0007","17.9127","0.001","90","","90","","90","","2588.6","0.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 Cl2 N2 O6 -","- C25 H26 Cl2 N2 O6 -","- C100 H104 Cl8 N8 O24 -","4","1","","Ravi Kumar, G.; Ramesh, Boora; Yarlagadda, Suresh; Sridhar, Balasubramanian; Reddy, B. V. Subba","Organocatalytic Enantioselective Mannich Reaction: Direct Access to Chiral β-Amino Esters.","ACS omega","2019","4","1","2168","2177","10.1021/acsomega.8b02132","","","0.71073","MoKα","","0.0574","0.048","","","0.1146","0.1206","","","","","","0.953","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514943","13.1762","0.0002","17.925","0.0002","20.5378","0.0003","90","","90","","90","","4850.69","0.12","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H25 N3 O8 -","- C24 H25 N3 O8 -","- C192 H200 N24 O64 -","8","1","","Ravi Kumar, G.; Ramesh, Boora; Yarlagadda, Suresh; Sridhar, Balasubramanian; Reddy, B. V. Subba","Organocatalytic Enantioselective Mannich Reaction: Direct Access to Chiral β-Amino Esters.","ACS omega","2019","4","1","2168","2177","10.1021/acsomega.8b02132","","","0.71073","MoKα","","0.0995","0.0576","","","0.1272","0.1465","","","","","","1.013","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514944","17.1736","0.0006","28.5197","0.0011","15.4911","0.0005","90","","90","","90","","7587.3","0.5","150","2","150","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C37 H21 Cl3 Cu N4 O10 -","- C37 H21 Cl3 Cu N4 O10 -","- C296 H168 Cl24 Cu8 N32 O80 -","8","0.5","","Li, Guo-Bi; Song, Bai-Qiao; Wang, Shi-Qiang; Pei, Ling-Min; Liu, Sheng-Gui; Song, Jiang-Li; Yang, Qing-Yuan","Selective Adsorption of Water, Methanol, and Ethanol by Naphthalene Diimide-Based Coordination Polymers with Constructed Open Cu<sup>2+</sup> Metal Sites and Separation of Ethanol/Acetonitrile.","ACS omega","2019","4","1","1995","2000","10.1021/acsomega.8b03229","","","1.54178","CuKα","","0.0936","0.0832","","","0.2568","0.2659","","","","","","1.051","","","","has coordinates","220110","2020-10-21","18:00:00",""
"4514945","17.033","0.002","28.521","0.006","15.29","0.002","90","","90","","90","","7428","2","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C34 H18 Cu N4 O14 -","- C34 H18 Cu N4 O14 -","- C272 H144 Cu8 N32 O112 -","8","0.5","","Li, Guo-Bi; Song, Bai-Qiao; Wang, Shi-Qiang; Pei, Ling-Min; Liu, Sheng-Gui; Song, Jiang-Li; Yang, Qing-Yuan","Selective Adsorption of Water, Methanol, and Ethanol by Naphthalene Diimide-Based Coordination Polymers with Constructed Open Cu<sup>2+</sup> Metal Sites and Separation of Ethanol/Acetonitrile.","ACS omega","2019","4","1","1995","2000","10.1021/acsomega.8b03229","","","0.71073","MoKα","","0.1795","0.1284","","","0.3211","0.3441","","","","","","1.938","","","","has coordinates","220111","2020-10-21","18:00:00",""
"4514946","17.354","0.002","28.747","0.005","15.0069","0.0019","90","","90","","90","","7486.6","1.8","373","2","373","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C34 H20 Cu N4 O11 -","- C34 H20 Cu N4 O11 -","- C272 H160 Cu8 N32 O88 -","8","0.5","","Li, Guo-Bi; Song, Bai-Qiao; Wang, Shi-Qiang; Pei, Ling-Min; Liu, Sheng-Gui; Song, Jiang-Li; Yang, Qing-Yuan","Selective Adsorption of Water, Methanol, and Ethanol by Naphthalene Diimide-Based Coordination Polymers with Constructed Open Cu<sup>2+</sup> Metal Sites and Separation of Ethanol/Acetonitrile.","ACS omega","2019","4","1","1995","2000","10.1021/acsomega.8b03229","","","0.71073","MoKα","","0.1937","0.0841","","","0.2178","0.2775","","","","","","1.004","","","","has coordinates","220112","2020-10-21","18:00:00",""
"4514947","6.5476","0.0005","5.9893","0.0004","14.4785","0.0012","90","","103.07","","90","","553.07","0.07","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 -","- C8 H5 -","- C32 H20 -","4","1","","Singh, Mala; Singh, Anoop S.; Mishra, Nidhi; Agrahari, Anand K.; Tiwari, Vinod K.","Benzotriazole as an Efficient Ligand in Cu-Catalyzed Glaser Reaction.","ACS omega","2019","4","1","2418","2424","10.1021/acsomega.8b03410","","","0.71073","MoKα","","0.0805","0.0685","","","0.1839","0.1961","","","","","","0.852","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514948","11.7532","0.0006","14.9001","0.0007","20.9384","0.0014","90","","105.744","0.007","90","","3529.2","0.4","200","0.14","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Mn2 N2 O11 Se2 -","- C34 H26 Mn2 N2 O11 Se2 -","- C136 H104 Mn8 N8 O44 Se8 -","4","1","","Kumar, Udit; Roy, Sritama; Jha, Raushan Kumar; Vidhyapriya, Pitchavel; Sakthivel, Natarajan; Manimaran, Bala.","Selenolato-Bridged Manganese(I)-Based Dinuclear Metallacycles as Potential Anticancer Agents and Photo-CORMs","ACS Omega","2019","4","1","1923","","10.1021/acsomega.8b03177","","","0.71073","MoKα","","0.0648","0.0405","","","0.0872","0.0992","","","","","","0.946","","","","has coordinates","220114","2020-10-21","18:00:00",""
"4514949","7.1303","0.0002","11.687","0.0004","15.7104","0.0005","82.5101","0.0013","82.4547","0.0013","88.0256","0.0013","1286.57","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 Cl3 F N3 O7 -","- C23 H21 Cl3 F N3 O7 -","- C46 H42 Cl6 F2 N6 O14 -","2","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0683","0.0619","","","0.1726","0.1808","","","","","","1.07","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514950","11.74","0.0002","11.8392","0.0002","16.8209","0.0004","90","","109.766","0.0007","90","","2200.23","0.07","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N3 O7 -","- C23 H23 N3 O7 -","- C92 H92 N12 O28 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0472","0.0398","","","0.0958","0.1055","","","","","","1.067","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514951","5.8847","0.0001","10.0526","0.0002","31.9302","0.0007","90","","90","","90","","1888.88","0.06","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br N3 O5 -","- C20 H18 Br N3 O5 -","- C80 H72 Br4 N12 O20 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0232","0.023","","","0.0591","0.0592","","","","","","1.091","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514952","12.6555","0.0003","32.3648","0.0007","10.778","0.0002","90","","104.647","0.0012","90","","4271.13","0.16","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N3 O7 -","- C22 H21 N3 O7 -","- C176 H168 N24 O56 -","8","2","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0908","0.0705","","","0.2032","0.225","","","","","","1.041","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514953","12.1872","0.0003","19.6134","0.0004","10.1516","0.0002","90","","90","","90","","2426.56","0.09","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23.5 H23.5 Cl1.5 N3 O7 -","- C23.5 H23.5 Cl1.5 N3 O7 -","- C94 H94 Cl6 N12 O28 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0503","0.0494","","","0.1426","0.1448","","","","","","1.048","","","","has coordinates,has disorder","220119","2020-10-21","18:00:00",""
"4514954","10.694","0.0002","10.6945","0.0003","18.4813","0.0004","104.658","0.0006","95.9501","0.0006","99.2596","0.0007","1995.01","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Br N3 O5 -","- C20 H18 Br N3 O5 -","- C80 H72 Br4 N12 O20 -","4","2","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0462","0.0435","","","0.115","0.1182","","","","","","1.039","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514955","7.2684","0.0002","24.3971","0.0005","12.3277","0.0003","90","","93.9065","0.0007","90","","2180.97","0.09","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N3 O7 -","- C23 H23 N3 O7 -","- C92 H92 N12 O28 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0487","0.045","","","0.1123","0.1159","","","","","","1.029","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514956","9.5902","0.0002","9.6661","0.0002","20.341","0.0004","90","","90","","90","","1885.61","0.07","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 O5 -","- C20 H19 N3 O5 -","- C80 H76 N12 O20 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0344","0.0334","","","0.0881","0.0896","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514957","11.4775","0.0004","29.4193","0.001","14.3936","0.0005","90","","108.357","0.0011","90","","4612.8","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N3 O7 -","- C24 H25 N3 O7 -","- C192 H200 N24 O56 -","8","2","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0605","0.053","","","0.1294","0.1378","","","","","","1.028","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514958","9.2665","0.0003","10.5833","0.0003","17.9618","0.0005","90","","90.9476","0.0008","90","","1761.28","0.09","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N3 O5 -","- C20 H19 N3 O5 -","- C80 H76 N12 O20 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0497","0.0478","","","0.1411","0.1439","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514959","11.3435","0.0004","14.1708","0.0005","17.3486","0.0006","105.216","0.0011","96.8216","0.0012","109.162","0.0012","2476.78","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 Br2 N6 O16 -","- C48 H48 Br2 N6 O16 -","- C96 H96 Br4 N12 O32 -","2","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.054","0.0499","","","0.1357","0.1409","","","","","","1.07","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514960","23.749","0.0011","31.2851","0.0015","17.9917","0.0009","90","","108.379","0.002","90","","12685.8","1.1","188","2","188","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C55 H42 N2 O2 S -","- C55 H42 N2 O2 S -","- C660 H504 N24 O24 S12 -","12","3","","Rao, Jiancheng; Zhao, Chenyang; Wang, Yanping; Bai, Keyan; Wang, Shumeng; Ding, Junqiao; Wang, Lixiang","Achieving Deep-Blue Thermally Activated Delayed Fluorescence in Nondoped Organic Light-Emitting Diodes through a Spiro-Blocking Strategy.","ACS omega","2019","4","1","1861","1867","10.1021/acsomega.8b03296","","","0.71073","MoKα","","0.1193","0.0702","","","0.1743","0.2216","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514961","12.2404","0.001","9.0337","0.0008","8.8173","0.0007","90","","97.116","0.002","90","","967.47","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N2 O3 S -","- C8 H10 N2 O3 S -","- C32 H40 N8 O12 S4 -","4","1","","Chen, Zhengwang; Liu, Botao; Liang, Pei; Luo, Haiqing; Zheng, Jing; Wen, Xiaowei; Liu, Tanggao; Luo, Guotian; Ye, Min","Construction of N-S and C-N Bonds from Reactions of Benzofuroxans with DMSO or THF.","ACS omega","2019","4","1","281","291","10.1021/acsomega.8b03353","","","0.71073","MoKα","","0.0391","0.0342","","","0.0958","0.1012","","","","","","1.114","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514962","10.1121","0.001","9.0764","0.0009","24.912","0.002","90","","90","","90","","2286.5","0.4","298","2","298.49","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 I N2 O3 -","- C10 H11 I N2 O3 -","- C80 H88 I8 N16 O24 -","8","1","","Chen, Zhengwang; Liu, Botao; Liang, Pei; Luo, Haiqing; Zheng, Jing; Wen, Xiaowei; Liu, Tanggao; Luo, Guotian; Ye, Min","Construction of N-S and C-N Bonds from Reactions of Benzofuroxans with DMSO or THF.","ACS omega","2019","4","1","281","291","10.1021/acsomega.8b03353","","","0.71073","MoKα","","0.0518","0.044","","","0.0902","0.093","","","","","","1.228","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514963","11.2031","0.0017","11.2959","0.0018","12.3335","0.0019","75.867","0.003","84.541","0.004","68.411","0.003","1407.3","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Cl N O5 -","- C30 H34 Cl N O5 -","- C60 H68 Cl2 N2 O10 -","2","1","","Dwari, Soumita; Jana, Chandan K.","Regio- and Enantioselective (Het)arylation of β-Alkenyl Pyrroline to α-Aryl-β-alkenyl Pyrrolidines.","ACS omega","2019","4","1","2445","2454","10.1021/acsomega.8b03033","","","0.71073","MoKα","","0.134","0.0677","","","0.1762","0.2075","","","","","","0.902","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514964","4.6276","0.0002","44.886","0.002","9.6881","0.0005","90","","94.437","0.002","90","","2006.33","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O5 -","- C26 H24 O5 -","- C104 H96 O20 -","4","1","","Paymode, Dinesh J.; Ramana, Chepuri V.","Studies toward the Total Synthesis of Parvifolals A/B: An Intramolecular <i>o</i>-Quinone Methide [4 + 2]-Cycloaddition To Construct the Central Tetracyclic Core.","ACS omega","2019","4","1","810","818","10.1021/acsomega.8b02777","","","0.71073","MoKα","","0.0864","0.0706","","","0.1244","0.1296","","","","","","1.173","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514965","14.342","0.001","10.8063","0.0006","27.4777","0.0018","90","","90","","90","","4258.6","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H26 O5 -","- C26 H26 O5 -","- C208 H208 O40 -","8","1","","Paymode, Dinesh J.; Ramana, Chepuri V.","Studies toward the Total Synthesis of Parvifolals A/B: An Intramolecular <i>o</i>-Quinone Methide [4 + 2]-Cycloaddition To Construct the Central Tetracyclic Core.","ACS omega","2019","4","1","810","818","10.1021/acsomega.8b02777","","","0.71073","MoKα","","0.1221","0.1048","","","0.2099","0.2205","","","","","","1.4","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514966","14.734","0.015","6.879","0.006","15.543","0.018","90","","102.27","0.04","90","","1539","3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Cl N2 O Pt -","- C15 H19 Cl N2 O Pt -","- C60 H76 Cl4 N8 O4 Pt4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.0271","0.0252","","","0.0714","0.0721","","","","","","1.213","","","","has coordinates,has disorder","220132","2020-10-21","18:00:00",""
"4514967","9.289","0.002","12.287","0.003","14.269","0.004","90","","108.793","0.013","90","","1541.8","0.7","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N2 O2 Pt -","- C15 H22 N2 O2 Pt -","- C60 H88 N8 O8 Pt4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.0503","0.0296","","","0.0651","0.0726","","","","","","0.961","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514968","13.594","0.003","20.593","0.008","18.051","0.007","90","","97.012","0.018","90","","5015","3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N4 O2 Pt -","- C27 H32 N4 O2 Pt -","- C216 H256 N32 O16 Pt8 -","8","2","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.041","0.0371","","","0.0962","0.0993","","","","","","1.066","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514969","12.6298","0.0011","8.035","0.0007","16.7136","0.0014","90","","102.705","0.004","90","","1654.6","0.2","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 I N2 O Pt -","- C15 H21 I N2 O Pt -","- C60 H84 I4 N8 O4 Pt4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.0291","0.0271","","","0.0709","0.0717","","","","","","1.178","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514970","8.607","0.003","10.031","0.004","19.09","0.007","90","","90","","90","","1648.2","1.1","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 I N2 O Pt -","- C15 H21 I N2 O Pt -","- C60 H84 I4 N8 O4 Pt4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.0401","0.0298","","","0.0632","0.0681","","","","","","0.84","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514971","10.994","0.004","17.573","0.008","15.289","0.007","90","","98.994","0.008","90","","2917","2","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N2 O3 Pt -","- C14 H20 N2 O3 Pt -","- C112 H160 N16 O24 Pt8 -","8","2","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.124","0.0506","","","0.0757","0.0906","","","","","","1.018","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514972","8.1553","0.0018","9.9572","0.0015","11.011","0.002","112.204","0.006","107.551","0.008","96.626","0.006","762.2","0.3","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 N2 O4 Pt -","- C14 H22 N2 O4 Pt -","- C28 H44 N4 O8 Pt2 -","2","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.026","0.0254","","","0.0851","0.0863","","","","","","0.821","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514973","11.584","0.007","11.704","0.014","13.061","0.014","90","","109.67","0.03","90","","1667","3","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 N2 O4 Pt -","- C15 H24 N2 O4 Pt -","- C60 H96 N8 O16 Pt4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.026","0.0244","","","0.0946","0.0962","","","","","","1.095","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514974","7.754","0.004","7.966","0.006","13.423","0.011","99.03","0.04","101.68","0.02","92.59","0.05","799.3","1","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 I N2 O Pt -","- C15 H19 I N2 O Pt -","- C30 H38 I2 N4 O2 Pt2 -","2","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.0418","0.032","","","0.0678","0.0714","","","","","","0.981","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514975","10.42","0.004","7.367","0.003","23.668","0.006","90","","91.804","0.019","90","","1816","1.1","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N2 O5 Pt -","- C16 H26 N2 O5 Pt -","- C64 H104 N8 O20 Pt4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.0526","0.0325","","","0.0576","0.0633","","","","","","1.002","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514976","16.687","0.006","7.538","0.003","49.99","0.017","90","","90","","90","","6288","4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 I N5 P2 Pt -","- C27 I N5 P2 Pt -","- C216 I8 N40 P16 Pt8 -","8","2","","Singh, Khushwant; Gangrade, Ankit; Jana, Achintya; Mandal, Biman B.; Das, Neeladri","Design, Synthesis, Characterization, and Antiproliferative Activity of Organoplatinum Compounds Bearing a 1,2,3-Triazole Ring","ACS Omega","2019","4","1","835","","10.1021/acsomega.8b02849","","","0.71073","MoKα","","0.1611","0.1157","","","0.2677","0.2868","","","","","","1.16","","","","has coordinates","220133","2020-10-21","18:00:00",""
"4514977","10.5961","0.0002","25.9364","0.0005","15.8162","0.0003","90","","108.823","0.002","90","","4114.22","0.14","150","2","150.03","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H31 Cl9 N6 O4 -","- C37 H31 Cl9 N6 O4 -","- C148 H124 Cl36 N24 O16 -","4","1","","Knighton, Richard C.; Sharma, Krishna; Robertson, Naomi S.; Spring, David R.; Wills, Martin","Synthesis and Reactivity of a Bis-Strained Alkyne Derived from 1,1'-Biphenyl-2,2',6,6'-tetrol.","ACS omega","2019","4","1","2160","2167","10.1021/acsomega.8b03634","","x-ray","1.54184","CuKα","","0.1068","0.092","","","0.2501","0.2671","","","","","","1.025","","","","has coordinates,has disorder","220134","2020-10-21","18:00:00",""
"4514978","7.9848","0.0005","10.9219","0.0007","10.4925","0.0007","90","","94.018","0.004","90","","912.79","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N4 S2 -","- C20 H14 N4 S2 -","- C40 H28 N8 S4 -","2","0.5","","Peterson, Joshua P.; Zhang, Rui; Winter, Arthur H.","Effect of Structure on the Spin Switching and Magnetic Bistability of Solid-State Aryl Dicyanomethyl Monoradicals and Diradicals.","ACS omega","2019","4","8","13538","13542","10.1021/acsomega.9b01658","","","1.54178","CuKα","","0.0414","0.0392","","","0.0962","0.0981","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514979","5.2432","0.0009","10.3449","0.0019","17.386","0.004","90","","90","","90","","943","0.3","198","140","198","140","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 N2 O3 -","- C7 H14 N2 O3 -","- C28 H56 N8 O12 -","4","1","","Sasmal, Supriya; Roy Chowdhury, Srayoshi; Podder, Debasish; Haldar, Debasish","Urea-Appended Amino Acid To Vitalize Yeast Growth, Enhance Fermentation, and Promote Ethanol Production.","ACS omega","2019","4","8","13172","13179","10.1021/acsomega.9b01260","","x-ray","0.71073","MoKα","","0.0774","0.0676","","","0.1787","0.1915","","","","","","1.073","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514980","7.5481","0.0002","8.9419","0.0003","7.9881","0.0002","90","","94.066","0.002","90","","537.79","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H17 N5 O4 -","- C7 H17 N5 O4 -","- C14 H34 N10 O8 -","2","1","","Sasmal, Supriya; Roy Chowdhury, Srayoshi; Podder, Debasish; Haldar, Debasish","Urea-Appended Amino Acid To Vitalize Yeast Growth, Enhance Fermentation, and Promote Ethanol Production.","ACS omega","2019","4","8","13172","13179","10.1021/acsomega.9b01260","","x-ray","0.71073","MoKα","","0.0257","0.025","","","0.059","0.0595","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514981","21.0912","0.0004","26.5514","0.0005","3.97924","0.00007","90","","90","","90","","2228.38","0.07","100","2","100","2","","","","","","","","3","P b a 2","P 2 -2ab","32","","","","- Mo7.66 O30.85 V2.82 -","- Mo7.665 O30.85 V2.815 -","- Mo30.66 O123.4 V11.26 -","4","1","","Sadakane, Masahiro; Kodato, Katsunori; Yasuda, Nobuhiro; Ishikawa, Satoshi; Ueda, Wataru","Thermal Behavior, Crystal Structure, and Solid-State Transformation of Orthorhombic Mo-V Oxide under Nitrogen Flow or in Air.","ACS omega","2019","4","8","13165","13171","10.1021/acsomega.9b01212","","","0.83077","Synchrotron","","0.0788","0.0442","","","0.0913","0.137","","","","","","1.216","","","","has coordinates,has disorder","220138","2020-10-21","18:00:00",""
"4514982","11.9944","0.0016","27.537","0.004","12.7749","0.0017","90","","103.334","0.004","90","","4105.7","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H31 Br2 N O4 -","- C47 H31 Br2 N O4 -","- C188 H124 Br8 N4 O16 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.161","0.0696","","","0.1619","0.2001","","","","","","1.01","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514983","12.801","0.003","27.4","0.007","12.949","0.003","90","","106.379","0.006","90","","4357.5","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H30 Br3 N O4 -","- C47 H30 Br3 N O4 -","- C188 H120 Br12 N4 O16 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.2758","0.1157","","","0.2858","0.3296","","","","","","0.979","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514984","21.259","0.003","9.2263","0.0014","23.706","0.003","90","","112.936","0.005","90","","4282.1","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H33 N3 O9 -","- C48 H33 N3 O9 -","- C192 H132 N12 O36 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.2723","0.108","","","0.2646","0.3113","","","","","","0.936","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514985","10.5546","0.0007","16.9428","0.001","21.5166","0.0014","90","","90","","90","","3847.7","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C48 H33 Br2 N O4 -","- C48 H33 Br2 N O4 -","- C192 H132 Br8 N4 O16 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.085","0.0424","","","0.0834","0.0922","","","","","","1.015","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514986","9.4168","0.0005","16.9448","0.0009","22.316","0.0011","90","","90","","90","","3560.9","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H31 F2 N O4 -","- C47 H31 F2 N O4 -","- C188 H124 F8 N4 O16 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.1216","0.0553","","","0.1127","0.1406","","","","","","1.02","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514987","12.8873","0.0005","16.6635","0.0007","20.146","0.0009","90","","95.2856","0.0014","90","","4307.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H32 Br Cl2 N O4 -","- C48 H32 Br Cl2 N O4 -","- C192 H128 Br4 Cl8 N4 O16 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.089","0.0474","","","0.104","0.1204","","","","","","1.015","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514988","11.4873","0.0014","15.744","0.002","30.126","0.004","90","","91.112","0.004","90","","5447.4","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H33 Br2 N O4 -","- C48 H33 Br2 N O4 -","- C192 H132 Br8 N4 O16 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.1448","0.0709","","","0.1963","0.233","","","","","","1.064","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514989","10.7296","0.0014","20.624","0.003","15.099","0.002","90","","92.26","0.003","90","","3338.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 Cl N O5 -","- C41 H30 Cl N O5 -","- C164 H120 Cl4 N4 O20 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.2327","0.1195","","","0.1906","0.2582","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514990","10.9707","0.0006","12.8061","0.0008","14.0208","0.0009","111.15","0.002","98.204","0.002","104.424","0.002","1719.22","0.19","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 Br N O4 -","- C40 H28 Br N O4 -","- C80 H56 Br2 N2 O8 -","2","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.091","0.0516","","","0.1254","0.1427","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514991","7.4084","0.0004","11.1408","0.0006","11.3339","0.0007","100.616","0.005","101.797","0.005","109.396","0.005","830.9","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 B10 N O -","- C12 H19 B10 N O -","- C24 H38 B20 N2 O2 -","2","1","","Buzharevski, Antonio; Paskas, Svetlana; Laube, Markus; Lönnecke, Peter; Neumann, Wilma; Murganic, Blagoje; Mijatovic, Sanja; Maksimovic-Ivanic, Danijela; Pietzsch, Jens; Hey-Hawkins, Evamarie","Carboranyl Analogues of Ketoprofen with Cytostatic Activity against Human Melanoma and Colon Cancer Cell Lines.","ACS omega","2019","4","5","8824","8833","10.1021/acsomega.9b00412","","","0.71073","MoKα","","0.0816","0.0511","","","0.119","0.1359","","","","","","1.026","","","","has coordinates","220140","2020-10-21","18:00:00",""
"4514992","6.7972","0.0007","10.1541","0.001","13.2095","0.0018","83.456","0.01","82.083","0.01","73.997","0.009","865.26","0.18","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 B10 O3 -","- C12 H20 B10 O3 -","- C24 H40 B20 O6 -","2","1","","Buzharevski, Antonio; Paskas, Svetlana; Laube, Markus; Lönnecke, Peter; Neumann, Wilma; Murganic, Blagoje; Mijatovic, Sanja; Maksimovic-Ivanic, Danijela; Pietzsch, Jens; Hey-Hawkins, Evamarie","Carboranyl Analogues of Ketoprofen with Cytostatic Activity against Human Melanoma and Colon Cancer Cell Lines.","ACS omega","2019","4","5","8824","8833","10.1021/acsomega.9b00412","","","0.71073","MoKα","","0.0924","0.0532","","","0.1115","0.1309","","","","","","1.028","","","","has coordinates,has disorder","220140","2020-10-21","18:00:00",""
"4514993","6.8188","0.0003","15.6754","0.0007","16.1269","0.0007","91.943","0.004","93.8","0.004","92.089","0.004","1717.69","0.13","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 B10 O3 -","- C12 H20 B10 O3 -","- C48 H80 B40 O12 -","4","2","","Buzharevski, Antonio; Paskas, Svetlana; Laube, Markus; Lönnecke, Peter; Neumann, Wilma; Murganic, Blagoje; Mijatovic, Sanja; Maksimovic-Ivanic, Danijela; Pietzsch, Jens; Hey-Hawkins, Evamarie","Carboranyl Analogues of Ketoprofen with Cytostatic Activity against Human Melanoma and Colon Cancer Cell Lines.","ACS omega","2019","4","5","8824","8833","10.1021/acsomega.9b00412","","","0.71073","MoKα","","0.0809","0.0522","","","0.1127","0.1258","","","","","","1.013","","","","has coordinates","220140","2020-10-21","18:00:00",""
"4514994","11.4382","0.0003","21.7525","0.0008","7.4867","0.0003","90","","89.81","0.003","90","","1862.75","0.11","320","2","320","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe2 N2 O13 -","- C14 H14 Fe2 N2 O13 -","- C56 H56 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","x-ray","0.71073","MoKα","","0.0516","0.0353","","","0.0814","0.09","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514995","11.4343","0.0003","21.7262","0.0007","7.4193","0.0003","90","","89.963","0.003","90","","1843.13","0.11","220","2","220","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe2 N2 O13 -","- C14 H14 Fe2 N2 O13 -","- C56 H56 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","x-ray","0.71073","MoKα","","0.0463","0.0346","","","0.0847","0.0914","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514996","11.479","0.0005","21.7236","0.0006","7.3541","0.0003","90","","90.167","0.003","90","","1833.85","0.12","120","2","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe2 N2 O13 -","- C14 H14 Fe2 N2 O13 -","- C56 H56 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","x-ray","0.71073","MoKα","","0.0464","0.0353","","","0.0781","0.0836","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514997","11.3826","0.0003","21.696","0.0009","7.4517","0.0003","90","","90.222","0.001","90","","1840.23","0.12","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H6 Fe2 N2 O13 -","- C14 H11 Fe2 N2 O13 -","- C56 H44 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","","0.71073","MoKα","","0.0207","0.0203","","","0.0571","0.0573","","","","","","1.015","","","","has coordinates","220144","2020-10-21","18:00:00",""
"4514998","11.4656","0.0004","21.7296","0.0006","7.3867","0.0003","90","","90.066","0.003","90","","1840.34","0.11","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe2 N2 O13 -","- C14 H14 Fe2 N2 O13 -","- C56 H56 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","x-ray","0.71073","MoKα","","0.0443","0.0322","","","0.0738","0.08","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514999","7.2508","0.0019","8.01","0.003","8.795","0.002","82.177","0.011","70.183","0.007","64.893","0.007","435.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H6 Fe2 N2 O12 -","- C14 H6 Fe2 N2 O12 -","- C14 H6 Fe2 N2 O12 -","1","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","","0.71073","MoKα","","0.0596","0.0586","","","0.1285","0.129","","","","","","0.954","","","","has coordinates","220146","2020-10-21","18:00:00",""
"4515000","11.4431","0.0004","21.738","0.0006","7.4572","0.0003","90","","89.899","0.003","90","","1854.98","0.11","270","2","270","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe2 N2 O13 -","- C14 H14 Fe2 N2 O13 -","- C56 H56 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","x-ray","0.71073","MoKα","","0.0472","0.0341","","","0.0786","0.0855","","","","","","1.08","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515001","9.2253","0.0003","15.0663","0.0004","18.0574","0.0011","90","","90","","90","","2509.82","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Ag2 I4 N4 -","- C18 H22 Ag2 I4 N4 -","- C72 H88 Ag8 I16 N16 -","4","1","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.0538","0.0402","","","0.0517","0.0556","","","","","","0.986","","","","has coordinates","220149","2020-10-21","18:00:00",""
"4515002","22.6146","0.0004","11.5003","0.0002","23.0399","0.0004","90","","94.5111","0.0016","90","","5973.53","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Ag7 I11 N8 -","- C36 H44 Ag7 I11 N8 -","- C144 H176 Ag28 I44 N32 -","4","1","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.0995","0.0686","","","0.1745","0.1984","","","","","","1.032","","","","has coordinates,has disorder","220149","2020-10-21","18:00:00",""
"4515003","11.5869","0.0003","13.6244","0.0008","17.7757","0.0006","70.132","0.005","80.175","0.003","75.172","0.004","2540.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H47 Ag3 I7 N9 -","- C38 H47 Ag3 I7 N9 -","- C76 H94 Ag6 I14 N18 -","2","1","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.0747","0.0405","","","0.0651","0.0683","","","","","","1.002","","","","has coordinates,has disorder","220149","2020-10-21","18:00:00",""
"4515004","11.8609","0.0005","12.0302","0.0006","12.3115","0.0005","118.515","0.005","101.244","0.004","106.977","0.004","1354.45","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 Bi2 I10 N8 -","- C36 H44 Bi2 I10 N8 -","- C36 H44 Bi2 I10 N8 -","1","0.5","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.06","0.0431","","","0.0939","0.1027","","","","","","1.026","","","","has coordinates","220149","2020-10-21","18:00:00",""
"4515005","9.9688","0.0006","11.3087","0.0008","14.0156","0.0011","106.012","0.007","102.632","0.006","104.851","0.006","1395","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 Bi2 I10 N8 -","- C36 H44 Bi2 I10 N8 -","- C36 H44 Bi2 I10 N8 -","1","0.5","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.1017","0.0526","","","0.0876","0.1091","","","","","","1.001","","","","has coordinates,has disorder","220149","2020-10-21","18:00:00",""
"4515006","10.4446","0.0006","22.4097","0.001","12.5907","0.0007","90","","114.216","0.007","90","","2687.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Bi2 I10 N8 -","- C36 H44 Bi2 I10 N8 -","- C72 H88 Bi4 I20 N16 -","2","0.5","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.0797","0.0523","","","0.0958","0.1094","","","","","","1.018","","","","has coordinates","220149","2020-10-21","18:00:00",""
"4515007","9.8915","0.0008","22.0721","0.0012","12.3769","0.0013","90","","104.223","0.008","90","","2619.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Hg2 I8 N8 -","- C36 H40 Hg2 I8 N8 -","- C72 H80 Hg4 I16 N16 -","2","0.5","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.1321","0.0636","","","0.129","0.1656","","","","","","1.01","","","","has coordinates,has disorder","220149","2020-10-21","18:00:00",""
"4515008","15.14","0.002","3.903","0.0005","18.3188","0.0017","90","","115.026","0.008","90","","980.9","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 N3 -","- C29 H19 N3 -","- C58 H38 N6 -","2","0.5","","Chen, Zhicai; Li, Huanhuan; Tao, Ye; Chen, Lingfeng; Chen, Cailin; Jiang, He; Xu, Shen; Zhou, Xinhui; Chen, Runfeng; Huang, Wei","Tuning Intramolecular Conformation and Packing Mode of Host Materials through Noncovalent Interactions for High-Efficiency Blue Electrophosphorescence.","ACS omega","2019","4","5","9129","9134","10.1021/acsomega.9b00724","","","0.71073","MoKα","","0.0479","0.0448","","","0.1369","0.1416","","","","","","0.897","","","","has coordinates,has disorder","220150","2020-10-21","18:00:00",""
"4515009","10.7559","0.0008","13.2279","0.001","14.0925","0.0011","90","","90","","90","","2005.1","0.3","298","2","298.45","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H18 N4 -","- C28 H18 N4 -","- C112 H72 N16 -","4","1","","Chen, Zhicai; Li, Huanhuan; Tao, Ye; Chen, Lingfeng; Chen, Cailin; Jiang, He; Xu, Shen; Zhou, Xinhui; Chen, Runfeng; Huang, Wei","Tuning Intramolecular Conformation and Packing Mode of Host Materials through Noncovalent Interactions for High-Efficiency Blue Electrophosphorescence.","ACS omega","2019","4","5","9129","9134","10.1021/acsomega.9b00724","","","0.71073","MoKα","","0.0792","0.0574","","","0.1354","0.1535","","","","","","1.088","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515010","15.16","0.013","3.84","0.003","18.267","0.016","90","","113.337","0.019","90","","976.4","1.4","295","2","295.55","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 N4 -","- C28 H18 N4 -","- C56 H36 N8 -","2","0.5","","Chen, Zhicai; Li, Huanhuan; Tao, Ye; Chen, Lingfeng; Chen, Cailin; Jiang, He; Xu, Shen; Zhou, Xinhui; Chen, Runfeng; Huang, Wei","Tuning Intramolecular Conformation and Packing Mode of Host Materials through Noncovalent Interactions for High-Efficiency Blue Electrophosphorescence.","ACS omega","2019","4","5","9129","9134","10.1021/acsomega.9b00724","","","0.71073","MoKα","","0.0686","0.0559","","","0.1622","0.1798","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515011","8.857","0.0003","10.9599","0.0003","11.6179","0.0004","95.609","0.002","94.007","0.002","91.988","0.002","1118.65","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C4 H17 N2 O8.5 P2 -","- C4 H17 N2 O8.5 P2 -","- C16 H68 N8 O34 P8 -","4","2","","Argüello-Velasco, Rubén Oswaldo; Dziuk, Błażej; Zarychta, Bartosz; Ordóñez, Mario; Kafarski, Paweł","Reactions of Piperazin-2-one, Morpholin-3-one, and Thiomorpholin-3-one with Triethyl Phosphite Prompted by Phosphoryl Chloride: Scope and Limitations.","ACS omega","2019","4","5","9056","9064","10.1021/acsomega.9b01137","","","0.71073","MoKα","","0.0806","0.0427","","","0.0826","0.0901","","","","","","0.916","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515012","7.9283","0.0006","8.0672","0.0004","8.2847","0.0005","98.88","0.005","99.85","0.006","97.871","0.006","508.5","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C4 H13 Cl N2 O6 P2 -","- C4 H13 Cl N2 O6 P2 -","- C8 H26 Cl2 N4 O12 P4 -","2","1","","Argüello-Velasco, Rubén Oswaldo; Dziuk, Błażej; Zarychta, Bartosz; Ordóñez, Mario; Kafarski, Paweł","Reactions of Piperazin-2-one, Morpholin-3-one, and Thiomorpholin-3-one with Triethyl Phosphite Prompted by Phosphoryl Chloride: Scope and Limitations.","ACS omega","2019","4","5","9056","9064","10.1021/acsomega.9b01137","","","0.71073","MoKα","","0.0648","0.0553","","","0.1491","0.1542","","","","","","1.088","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515013","10.112","0.003","10.087","0.003","12.908","0.003","90","","109.28","0.03","90","","1242.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Cl2 N2 O3 -","- C6 H18 Cl2 N2 O3 -","- C24 H72 Cl8 N8 O12 -","4","1","","Argüello-Velasco, Rubén Oswaldo; Dziuk, Błażej; Zarychta, Bartosz; Ordóñez, Mario; Kafarski, Paweł","Reactions of Piperazin-2-one, Morpholin-3-one, and Thiomorpholin-3-one with Triethyl Phosphite Prompted by Phosphoryl Chloride: Scope and Limitations.","ACS omega","2019","4","5","9056","9064","10.1021/acsomega.9b01137","","","0.71073","MoKα","","0.1257","0.039","","","0.0601","0.0714","","","","","","0.645","","","","has coordinates,has disorder","220153","2020-10-21","18:00:00",""
"4515014","9.4026","0.0004","10.4466","0.0003","13.9332","0.0005","83.029","0.003","74.675","0.003","73.05","0.003","1261.13","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 N3 O8 P S2 -","- C22 H28 N3 O8 P S2 -","- C44 H56 N6 O16 P2 S4 -","2","1","","Argüello-Velasco, Rubén Oswaldo; Dziuk, Błażej; Zarychta, Bartosz; Ordóñez, Mario; Kafarski, Paweł","Reactions of Piperazin-2-one, Morpholin-3-one, and Thiomorpholin-3-one with Triethyl Phosphite Prompted by Phosphoryl Chloride: Scope and Limitations.","ACS omega","2019","4","5","9056","9064","10.1021/acsomega.9b01137","","","0.71073","MoKα","","0.0684","0.0408","","","0.0875","0.0949","","","","","","0.951","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515015","27.5","0.002","6.4888","0.0005","18.2253","0.0013","90","","116.871","0.004","90","","2901","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H44 Cl3 Cr N4 O2 -","- C26 H44 Cl3 Cr N4 O2 -","- C104 H176 Cl12 Cr4 N16 O8 -","4","0.5","","Huang, Po-Ju; Garcia, John V.; Fenwick, Aidan; Wu, Guang; Ford, Peter C.","Nitric Oxide Uncaging from a Hydrophobic Chromium(III) PhotoNORM: Visible and Near-Infrared Photochemistry in Biocompatible Polymer Disks.","ACS omega","2019","4","5","9181","9187","10.1021/acsomega.9b00592","","","0.71073","MoKα","","0.0775","0.0639","","","0.1361","0.1425","","","","","","1.147","","","","has coordinates","220154","2020-10-21","18:00:00",""
"4515016","9.1893","0.0011","11.7329","0.0014","15.259","0.002","80.745","0.004","73.03","0.004","79.087","0.004","1535.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H38 B Cl2 Cr F4 N6 O4 -","- C25 H38 B Cl2 Cr F4 N6 O4 -","- C50 H76 B2 Cl4 Cr2 F8 N12 O8 -","2","1","","Huang, Po-Ju; Garcia, John V.; Fenwick, Aidan; Wu, Guang; Ford, Peter C.","Nitric Oxide Uncaging from a Hydrophobic Chromium(III) PhotoNORM: Visible and Near-Infrared Photochemistry in Biocompatible Polymer Disks.","ACS omega","2019","4","5","9181","9187","10.1021/acsomega.9b00592","","","0.71073","MoKα","","0.0762","0.0495","","","0.1204","0.1343","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515017","12.8928","0.0011","12.8928","0.0011","13.1562","0.0014","90","","90","","120","","1893.9","0.3","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C24 H36 Cl3 Cr N4 -","- C24 H36 Cl3 Cr N4 -","- C72 H108 Cl9 Cr3 N12 -","3","0.5","","Huang, Po-Ju; Garcia, John V.; Fenwick, Aidan; Wu, Guang; Ford, Peter C.","Nitric Oxide Uncaging from a Hydrophobic Chromium(III) PhotoNORM: Visible and Near-Infrared Photochemistry in Biocompatible Polymer Disks.","ACS omega","2019","4","5","9181","9187","10.1021/acsomega.9b00592","","","0.71073","MoKα","","0.0574","0.0473","","","0.119","0.125","","","","","","1.058","","","","has coordinates","220156","2020-10-21","18:00:00",""
"4515018","20.5213","0.0011","10.0563","0.0005","16.5578","0.0009","90","","102.033","0.005","90","","3341.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","2","","Tang, Ren-Jin; Retailleau, Pascal; Milcent, Thierry; Crousse, Benoit","Direct Amination of Arenes with Azodicarboxylates Catalyzed by Bisulfate Salt/HFIP Association.","ACS omega","2019","4","5","8960","8966","10.1021/acsomega.9b00781","","x-ray","0.71073","MoKα","","0.0943","0.0602","","","0.1436","0.1593","","","","","","1.022","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4515019","11.402","0.003","6.1909","0.0018","25.548","0.007","90","","101.426","0.01","90","","1767.7","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Novak BF317","","","- C10 H7 F6 I O6 S2 -","- C10 H7 F6 I O6 S2 -","- C40 H28 F24 I4 O24 S8 -","4","1","","Tóth, Balázs L; Béke, Ferenc; Egyed, Orsolya; Bényei, Attila; Stirling, András; Novák, Zoltán","Synthesis of Multifunctional Aryl(trifloxyalkenyl)iodonium Triflate Salts.","ACS omega","2019","4","5","9188","9197","10.1021/acsomega.9b00728","","","0.71073","MoKα","","0.0338","0.0292","","","0.0834","0.103","","","","","","1.128","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515020","11.491","0.003","8.9223","0.0019","21.3","0.004","90","","95.394","0.007","90","","2174.1","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Novak Z","","","- C14 H15 F6 I O6 S2 -","- C14 H15 F6 I O6 S2 -","- C56 H60 F24 I4 O24 S8 -","4","1","","Tóth, Balázs L; Béke, Ferenc; Egyed, Orsolya; Bényei, Attila; Stirling, András; Novák, Zoltán","Synthesis of Multifunctional Aryl(trifloxyalkenyl)iodonium Triflate Salts.","ACS omega","2019","4","5","9188","9197","10.1021/acsomega.9b00728","","","0.71073","MoKα","","0.0607","0.0525","","","0.151","0.1594","","","","","","1.004","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515021","8.105","0.002","12.148","0.004","12.29","0.004","89.296","0.011","82.761","0.011","84.798","0.01","1195.5","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Novák Z BF291","","","- C16 H19 F6 I O6 S2 -","- C16 H19 F6 I O6 S2 -","- C32 H38 F12 I2 O12 S4 -","2","1","","Tóth, Balázs L; Béke, Ferenc; Egyed, Orsolya; Bényei, Attila; Stirling, András; Novák, Zoltán","Synthesis of Multifunctional Aryl(trifloxyalkenyl)iodonium Triflate Salts.","ACS omega","2019","4","5","9188","9197","10.1021/acsomega.9b00728","","","0.71073","MoKα","","0.0754","0.0605","","","0.1413","0.1703","","","","","","1.259","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515022","8.0462","0.0004","10.4191","0.0005","11.8606","0.0005","72.625","0.001","85.102","0.002","89.061","0.002","945.44","0.08","298","0.1","298","0.1","","","","","","","","7","P -1","-P 1","2","Novak","","","- C11 H8 Br F6 I O6 S2 -","- C11 H8 Br F6 I O6 S2 -","- C22 H16 Br2 F12 I2 O12 S4 -","2","1","","Tóth, Balázs L; Béke, Ferenc; Egyed, Orsolya; Bényei, Attila; Stirling, András; Novák, Zoltán","Synthesis of Multifunctional Aryl(trifloxyalkenyl)iodonium Triflate Salts.","ACS omega","2019","4","5","9188","9197","10.1021/acsomega.9b00728","","","0.71073","MoKα","","0.0305","0.0265","","","0.0678","0.0708","","","","","","0.997","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515023","10.9954","0.0003","8.8851","0.0003","22.5828","0.0008","90","","98.553","0.001","90","","2181.7","0.12","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Novak","","","- C16 H11 F6 I O6 S2 -","- C16 H11 F6 I O6 S2 -","- C64 H44 F24 I4 O24 S8 -","4","1","","Tóth, Balázs L; Béke, Ferenc; Egyed, Orsolya; Bényei, Attila; Stirling, András; Novák, Zoltán","Synthesis of Multifunctional Aryl(trifloxyalkenyl)iodonium Triflate Salts.","ACS omega","2019","4","5","9188","9197","10.1021/acsomega.9b00728","","","0.71073","MoKα","","0.0516","0.0469","","","0.1387","0.144","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515024","6.315","0.0003","11.1616","0.0004","32.294","0.0016","90","","93.415","0.002","90","","2272.22","0.18","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Novak","","","- C17 H13 F6 I O6 S2 -","- C17 H13 F6 I O6 S2 -","- C68 H52 F24 I4 O24 S8 -","4","1","","Tóth, Balázs L; Béke, Ferenc; Egyed, Orsolya; Bényei, Attila; Stirling, András; Novák, Zoltán","Synthesis of Multifunctional Aryl(trifloxyalkenyl)iodonium Triflate Salts.","ACS omega","2019","4","5","9188","9197","10.1021/acsomega.9b00728","","","0.71073","MoKα","","0.0848","0.0673","","","0.1699","0.183","","","","","","1.048","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515025","9.3164","0.0002","7.3274","0.0002","10.8064","0.0003","90","","111.175","0.001","90","","687.89","0.03","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cl2 O2 Pd2 S2 -","- C6 H18 Cl2 O2 Pd2 S2 -","- C12 H36 Cl4 O4 Pd4 S4 -","2","0.5","","Deshmukh, Satej S.; Gaikwad, Shahaji R.; Mote, Nilesh R.; M, Manod; Gonnade, Rajesh G.; Chikkali, Samir H.","Neutral Imino-Methyl Benzenesulfonate-Ligated Pd(II) Complexes and Implications in Ethylene Polymerization.","ACS omega","2019","4","5","9502","9511","10.1021/acsomega.9b00709","","","0.71073","MoKα","","0.0161","0.0158","","","0.0375","0.0376","","","","","","1.269","","","","has coordinates","220159","2020-10-21","18:00:00",""
"4515026","50.994","0.007","50.994","0.007","12.034","0.002","90","","90","","120","","27101","7","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C174 H258 B9 N9 -","- C116.5 H120 B9 N9 -","- C699 H720 B54 N54 -","6","1","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.1454","0.1044","","","0.251","0.2857","","","","","","1.016","","","","has coordinates,has disorder","220160","2020-10-21","18:00:00",""
"4515027","21.268","0.004","14.952","0.003","22.475","0.005","90","","90","","90","","7147","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C84 H90 B6 N6 -","- C84 H90 B6 N6 -","- C336 H360 B24 N24 -","4","0.5","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.0539","0.0496","","","0.1429","0.1474","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515028","18.861","0.004","22.39","0.004","14.82","0.003","90","","104.44","0.03","90","","6061","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 B6 N6 O -","- C70 H70 B6 N6 O -","- C280 H280 B24 N24 O4 -","4","1","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.176","0.072","","","0.1693","0.2255","","","","","","0.983","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515029","12.091","0.002","21.639","0.004","13.768","0.003","90","","101.26","0.03","90","","3532.9","1.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42 H42 B3 N3 -","- C42 H42 B3 N3 -","- C168 H168 B12 N12 -","4","1","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.0325","0.0325","","","0.0898","0.0899","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515030","11.35","0.002","16.679","0.003","32.207","0.006","90","","99.29","0.03","90","","6017","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 B6 N6 O -","- C70 H70 B6 N6 O -","- C280 H280 B24 N24 O4 -","4","1","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.1497","0.0675","","","0.1453","0.1813","","","","","","1.007","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515031","12.472","0.003","15.108","0.003","19.725","0.004","80.08","0.03","75.32","0.03","68.48","0.03","3331.7","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H78 B6 N6 -","- C78 H78 B6 N6 -","- C156 H156 B12 N12 -","2","1","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.0729","0.0615","","","0.1748","0.1866","","","","","","1.067","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515032","12.3474","0.0007","19.7123","0.001","13.7256","0.0006","90","","99.325","0.002","90","","3296.6","0.3","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 F12 N6 O P2 -","- C54 H74 F12 N6 O P2 -","- C108 H148 F24 N12 O2 P4 -","2","0.5","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.0952","0.0829","","","0.2153","0.2246","","","","","","1.121","","","","has coordinates,has disorder","220166","2020-10-21","18:00:00",""
"4515033","19.8012","0.0013","12.6035","0.0009","26.5305","0.0019","90","","105.7","0.0018","90","","6374.1","0.8","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H85 F12 N7 O3 P2 -","- C59 H85 F12 N7 O3 P2 -","- C236 H340 F48 N28 O12 P8 -","4","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.0963","0.0619","","","0.1362","0.1552","","","","","","1.015","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515034","11.0352","0.0002","12.3798","0.0002","24.369","0.0004","81.385","0.001","89.281","0.001","65.535","0.001","2991.51","0.09","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H78 F12 N8 P2 -","- C56 H78 F12 N8 P2 -","- C112 H156 F24 N16 P4 -","2","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.0642","0.0443","","","0.1131","0.1226","","","","","","1.056","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515035","15.0178","0.0009","15.1067","0.0009","18.2934","0.001","76.729","0.003","69.064","0.003","65.711","0.003","3516.4","0.4","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C65 H90 Cl6 F6 Ir N6 O P -","- C65 H90 Cl6 F6 Ir N6 O P -","- C130 H180 Cl12 F12 Ir2 N12 O2 P2 -","2","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.032","0.0264","","","0.0658","0.0687","","","","","","1.071","","","","has coordinates,has disorder","220166","2020-10-21","18:00:00",""
"4515036","21.5202","0.0011","10.7072","0.0005","24.894","0.0013","90","","105.722","0.002","90","","5521.5","0.5","150","2","150","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C56 H72 F6 N6 O3 P Rh -","- C56 H72 F6 N6 O3 P Rh -","- C224 H288 F24 N24 O12 P4 Rh4 -","4","2","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.0399","0.0313","","","0.0617","0.0643","","","","","","1.038","","","","has coordinates,has disorder","220166","2020-10-21","18:00:00",""
"4515037","21.527","0.003","10.6934","0.0014","24.942","0.003","90","","105.386","0.009","90","","5535.8","1.3","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H72 F6 Ir N6 O3 P -","- C56 H72 F6 Ir N6 O3 P -","- C224 H288 F24 Ir4 N24 O12 P4 -","4","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.3107","0.0895","","","0.1416","0.1964","","","","","","0.852","","","","has coordinates","220166","2020-10-21","18:00:00",""
"4515038","15.413","0.0008","35.913","0.002","15.0642","0.0008","90","","111.613","0.001","90","","7752.2","0.7","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H98 Cl4 N6 O Rh2 -","- C71 H98 Cl4 N6 O Rh2 -","- C284 H392 Cl16 N24 O4 Rh8 -","4","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.0512","0.0411","","","0.0925","0.0968","","","","","","1.086","","","","has coordinates","220166","2020-10-21","18:00:00",""
"4515039","10.4449","0.0004","15.9061","0.0006","17.7631","0.0007","87.305","0.002","76.657","0.002","88.373","0.002","2867.81","0.19","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H72 Cl2 N6 O5 Rh2 -","- C58 H72 Cl2 N6 O5 Rh2 -","- C116 H144 Cl4 N12 O10 Rh4 -","2","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.1187","0.0568","","","0.1161","0.1402","","","","","","1.023","","","","has coordinates","220166","2020-10-21","18:00:00",""
"4515040","12.4173","0.0011","16.7357","0.0016","20.3867","0.0018","81.88","0.006","85.642","0.006","86.607","0.006","4177","0.7","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H102 Cl6 F6 N7 P Rh2 -","- C73 H102 Cl6 F6 N7 P Rh2 -","- C146 H204 Cl12 F12 N14 P2 Rh4 -","2","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.1569","0.104","","","0.2426","0.2779","","","","","","1.141","","","","has coordinates","220166","2020-10-21","18:00:00",""
"4515041","12.0336","0.0007","13.6319","0.0009","22.5444","0.0015","96.465","0.005","104.14","0.004","97.574","0.004","3514.3","0.4","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C58 H77 Cl4 F6 Ir N7 O2 P -","- C58 H77 Cl4 F6 Ir N7 O2 P -","- C116 H154 Cl8 F12 Ir2 N14 O4 P2 -","2","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.1228","0.077","","","0.1664","0.1845","","","","","","0.995","","","","has coordinates","220166","2020-10-21","18:00:00",""
"4515042","10.7323","0.0018","13.222","0.002","21.491","0.003","82.115","0.003","78.984","0.004","86.235","0.003","2962.7","0.8","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H72 Cl N7 O3 Rh2 -","- C57 H72 Cl N7 O3 Rh2 -","- C114 H144 Cl2 N14 O6 Rh4 -","2","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.1589","0.0758","","","0.1867","0.2273","","","","","","0.96","","","","has coordinates","220166","2020-10-21","18:00:00",""
"4515043","7.2398","0.0018","8.637","0.002","16.178","0.005","90","","90","","90","","1011.6","0.5","173","1","173","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 Cl N O2 S -","- C8 H16 Cl N O2 S -","- C32 H64 Cl4 N4 O8 S4 -","4","1","","Melnykov, Kostiantyn P.; Artemenko, Artem N.; Ivanenko, Bohdan O.; Sokolenko, Yevhenii M.; Nosik, Pavel S.; Ostapchuk, Eugeniy N.; Grygorenko, Oleksandr O.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.","Scalable Synthesis of Biologically Relevant Spirocyclic Pyrrolidines.","ACS omega","2019","4","4","7498","7515","10.1021/acsomega.9b00896","","","0.71073","MoKα","","0.045","0.0363","","","0.0801","0.084","","","","","","1.061","","","","has coordinates","220167","2020-10-21","18:00:00",""
"4515044","3.7495","0.0008","12.724","0.002","11.322","0.0018","90","","93.668","0.005","90","","539.05","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Cl Cu N -","- C5 H4 Cl Cu N -","- C20 H16 Cl4 Cu4 N4 -","4","1","","Ahamad, M. Naqi; Shahid, M.; Ahmad, Musheer; Sama, Farasha","Cu(II) MOFs Based on Bipyridyls: Topology, Magnetism, and Exploring Sensing Ability toward Multiple Nitroaromatic Explosives.","ACS omega","2019","4","4","7738","7749","10.1021/acsomega.9b00715","","","0.71073","MoKα","","0.0957","0.058","","","0.0905","0.1061","","","","","","1.11","","","","has coordinates","220168","2020-10-21","18:00:00",""
"4515045","22.193","0.004","18.278","0.003","34.743","0.006","90","","96.765","0.003","90","","13995","4","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C144 H120 Au8 Cl3 Cu2 P8 Pd -","- C144 H120 Au8.316 Cl3 Cu1.684 P8 Pd -","- C576 H480 Au33.264 Cl12 Cu6.736 P32 Pd4 -","4","1","","Hirai, Haru; Takano, Shinjiro; Tsukuda, Tatsuya","Synthesis of Trimetallic (HPd@M<sub>2</sub>Au<sub>8</sub>)<sup>3+</sup> Superatoms (M = Ag, Cu) via Hydride-Mediated Regioselective Doping to (Pd@Au<sub>8</sub>)<sup>2</sup>.","ACS omega","2019","4","4","7070","7075","10.1021/acsomega.9b00575","","","0.71075","MoKα","","0.1177","0.1013","","","0.1717","0.1788","","","","","","1.244","","","","has coordinates,has disorder","220169","2020-10-21","18:00:00",""
"4515046","22.158","0.003","18.75","0.002","34.486","0.005","90","","97.785","0.003","90","","14196","3","93","2","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C150 H134 Ag2 Au8 Cl2 O P8 Pd -","- C150 H134 Ag2 Au8 Cl2 O P8 Pd -","- C600 H536 Ag8 Au32 Cl8 O4 P32 Pd4 -","4","1","","Hirai, Haru; Takano, Shinjiro; Tsukuda, Tatsuya","Synthesis of Trimetallic (HPd@M<sub>2</sub>Au<sub>8</sub>)<sup>3+</sup> Superatoms (M = Ag, Cu) via Hydride-Mediated Regioselective Doping to (Pd@Au<sub>8</sub>)<sup>2</sup>.","ACS omega","2019","4","4","7070","7075","10.1021/acsomega.9b00575","","","0.71075","MoKα","","0.0965","0.0899","","","0.1626","0.1656","","","","","","1.283","","","","has coordinates","220170","2020-10-21","18:00:00",""
"4515047","7.331","0.002","8.111","0.002","14.229","0.004","92.899","0.003","101.046","0.003","105.36","0.003","796.1","0.4","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Cl2 N2 O S -","- C18 H12 Cl2 N2 O S -","- C36 H24 Cl4 N4 O2 S2 -","2","1","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","0.71073","MoKα","","0.0352","0.0303","","","0.0763","0.0791","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515048","39.025","0.002","6.8024","0.0004","17.5294","0.0009","90","","115.896","0.002","90","","4186.2","0.4","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cl4 N2 O Ru S -","- C20 H16 Cl4 N2 O Ru S -","- C160 H128 Cl32 N16 O8 Ru8 S8 -","8","1","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","0.71073","MoKα","","0.0543","0.0331","","","0.0515","0.056","","","","","","1.044","","","","has coordinates","220172","2020-10-21","18:00:00",""
"4515049","7.918","0.003","13.73","0.005","14.053","0.005","108.379","0.004","90.953","0.004","101.229","0.004","1417.1","0.9","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 Cl2 N2 O S -","- C14 H10 Cl2 N2 O S -","- C56 H40 Cl8 N8 O4 S4 -","4","2","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","0.71073","MoKα","","0.0561","0.043","","","0.112","0.1199","","","","","","1.041","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515050","29.863","0.004","11.7859","0.0016","13.9091","0.0019","90","","95.522","0.001","90","","4872.8","1.1","110.15","","110.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 Cl2 N2 O Ru S -","- C25 H28 Cl2 N2 O Ru S -","- C200 H224 Cl16 N16 O8 Ru8 S8 -","8","1","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","0.71073","MoKα","","0.0257","0.0229","","","0.0531","0.0543","","","","","","1.07","","","","has coordinates","220174","2020-10-21","18:00:00",""
"4515051","9.5","0.003","10.392","0.004","12.824","0.004","83.576","0.003","89.925","0.003","83.78","0.004","1250.6","0.7","110.15","","110.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl4 N2 O Ru S -","- C24 H24 Cl4 N2 O Ru S -","- C48 H48 Cl8 N4 O2 Ru2 S2 -","2","1","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","0.71073","MoKα","","0.0281","0.0239","","","0.0546","0.0565","","","","","","1.025","","","","has coordinates","220175","2020-10-21","18:00:00",""
"4515052","6.6357","0.0003","11.8488","0.0005","15.8163","0.0007","87.1","0.001","79.512","0.001","77.67","0.001","1194.49","0.09","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cl4 N2 O Ru S -","- C24 H18 Cl4 N2 O Ru S -","- C48 H36 Cl8 N4 O2 Ru2 S2 -","2","1","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","0.71073","MoKα","","0.052","0.0341","","","0.0577","0.0617","","","","","","1.052","","","","has coordinates,has disorder","220176","2020-10-21","18:00:00",""
"4515053","9.5499","0.0006","11.1471","0.0006","12.2998","0.0007","84.351","0.002","82.004","0.002","82.92","0.002","1282.33","0.13","144","","144","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H28 Cl2 N2 O Ru S -","- C28 H28 Cl2 N2 O Ru S -","- C56 H56 Cl4 N4 O2 Ru2 S2 -","2","1","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","1.54178","CuKα","","0.0271","0.0256","","","0.063","0.0638","","","","","","1.088","","","","has coordinates,has disorder","220177","2020-10-21","18:00:00",""
"4515054","7.2408","0.0002","24.7912","0.0006","8.5046","0.0002","90","","109.173","0.002","90","","1441.96","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hamada_CNA_27_10_13","","","- C15 H12 Cl N5 -","- C15 H12 Cl N5 -","- C60 H48 Cl4 N20 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Mostafa, Noha S.","Scalable Sonochemical Synthetic Strategy for Pyrazolo[1,5-<i>a</i>]pyridine Derivatives: First Catalyst-Free Concerted [3 + 2] Cycloaddition of Alkyne and Alkene Derivatives to 2-Imino-1<i>H</i>-pyridin-1-amines.","ACS omega","2019","4","4","7182","7193","10.1021/acsomega.9b00562","","","1.54178","CuKα","","0.0574","0.0439","","","0.1185","0.1283","","","","","","1.019","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515055","7.1549","0.0012","15.769","0.003","19.04","0.004","66.725","0.005","83.623","0.006","82.812","0.006","1953.4","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Cl N4 O4 -","- C20 H17 Cl N4 O4 -","- C80 H68 Cl4 N16 O16 -","4","2","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Mostafa, Noha S.","Scalable Sonochemical Synthetic Strategy for Pyrazolo[1,5-<i>a</i>]pyridine Derivatives: First Catalyst-Free Concerted [3 + 2] Cycloaddition of Alkyne and Alkene Derivatives to 2-Imino-1<i>H</i>-pyridin-1-amines.","ACS omega","2019","4","4","7182","7193","10.1021/acsomega.9b00562","","","0.71075","MoKα","","","0.0927","","","","0.2481","","","","","","0.992","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515056","11.135","0.002","8.106","0.0014","22.476","0.004","90","","97.338","0.009","90","","2012.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","GH9_260813","","","- C19 H19 N5 O5 S -","- C19 H19 N5 O5 S -","- C76 H76 N20 O20 S4 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Mostafa, Noha S.","Scalable Sonochemical Synthetic Strategy for Pyrazolo[1,5-<i>a</i>]pyridine Derivatives: First Catalyst-Free Concerted [3 + 2] Cycloaddition of Alkyne and Alkene Derivatives to 2-Imino-1<i>H</i>-pyridin-1-amines.","ACS omega","2019","4","4","7182","7193","10.1021/acsomega.9b00562","","","1.54178","CuKα","","0.1443","0.0628","","","0.1888","0.2221","","","","","","1.125","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515057","11.251","0.002","10.0262","0.0018","17.905","0.004","90","","90.013","0.007","90","","2019.8","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N4 O5 -","- C21 H20 N4 O5 -","- C84 H80 N16 O20 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Mostafa, Noha S.","Scalable Sonochemical Synthetic Strategy for Pyrazolo[1,5-<i>a</i>]pyridine Derivatives: First Catalyst-Free Concerted [3 + 2] Cycloaddition of Alkyne and Alkene Derivatives to 2-Imino-1<i>H</i>-pyridin-1-amines.","ACS omega","2019","4","4","7182","7193","10.1021/acsomega.9b00562","","","0.71075","MoKα","","","0.0518","","","","0.1411","","","","","","0.874","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515058","14.5029","0.0011","19.4679","0.0018","7.1357","0.0007","90","","97.882","0.006","90","","1995.7","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N5 O6 -","- C20 H17 N5 O6 -","- C80 H68 N20 O24 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Mostafa, Noha S.","Scalable Sonochemical Synthetic Strategy for Pyrazolo[1,5-<i>a</i>]pyridine Derivatives: First Catalyst-Free Concerted [3 + 2] Cycloaddition of Alkyne and Alkene Derivatives to 2-Imino-1<i>H</i>-pyridin-1-amines.","ACS omega","2019","4","4","7182","7193","10.1021/acsomega.9b00562","","","0.71075","MoKα","","","0.0822","","","","0.2807","","","","","","0.984","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515059","6.54","0.0004","10.7434","0.0006","13.3014","0.0009","90.105","0.005","92.035","0.005","100.717","0.006","917.67","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 N8 O13 Tb -","- C7 H15 N8 O13 Tb -","- C14 H30 N16 O26 Tb2 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.03","0.028","","","0.0753","0.0764","","","","","","1.019","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515060","6.5414","0.0011","10.746","0.002","13.302","0.003","89.926","0.006","87.641","0.006","79.309","0.005","918","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Gd N8 O13 -","- C7 H15 Gd N8 O13 -","- C14 H30 Gd2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0169","0.0153","","","0.0367","0.0369","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515061","6.5293","0.0004","10.7441","0.0004","13.2901","0.0007","89.987","0.004","87.86","0.005","79.349","0.005","915.6","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Dy N8 O13 -","- C7 H15 Dy N8 O13 -","- C14 H30 Dy2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0455","0.0423","","","0.1025","0.1057","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515062","6.6352","0.0018","10.771","0.003","13.383","0.004","89.809","0.009","87.715","0.001","79.028","0.008","938.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 N8 O13 Pr -","- C7 H15 N8 O13 Pr -","- C14 H30 N16 O26 Pr2 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0183","0.0169","","","0.0435","0.0438","","","","","","1.017","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515063","6.6949","0.0018","10.801","0.003","13.373","0.004","89.381","0.012","87.634","0.012","78.951","0.009","948.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 La N8 O13 -","- C7 H15 La N8 O13 -","- C14 H30 La2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0361","0.0256","","","0.0523","0.0546","","","","","","1.005","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515064","6.6163","0.0014","10.768","0.002","13.358","0.003","89.828","0.006","87.666","0.007","79.148","0.007","933.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 N8 Nd O13 -","- C7 H15 N8 Nd O13 -","- C14 H30 N16 Nd2 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0175","0.0158","","","0.0406","0.0409","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515065","6.507","0.002","10.749","0.004","13.233","0.005","89.915","0.008","92.101","0.009","100.542","0.009","909.3","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Ho N8 O13 -","- C7 H15 Ho N8 O13 -","- C14 H30 Ho2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0267","0.0221","","","0.0516","0.0522","","","","","","1.017","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515066","6.492","0.002","10.677","0.004","13.198","0.004","89.934","0.014","88.747","0.012","79.811","0.009","900.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 N8 O13 Tm -","- C7 H15 N8 O13 Tm -","- C14 H30 N16 O26 Tm2 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0217","0.0198","","","0.0516","0.0521","","","","","","1.041","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515067","6.5889","0.0012","10.7457","0.0018","13.331","0.003","89.981","0.007","87.66","0.006","79.088","0.005","926","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 N8 O13 Sm -","- C7 H15 N8 O13 Sm -","- C14 H30 N16 O26 Sm2 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0182","0.016","","","0.0438","0.0541","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515068","6.6647","0.0017","10.779","0.003","13.427","0.004","89.627","0.011","87.911","0.012","79.002","0.009","946.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Ce N8 O13 -","- C7 H15 Ce N8 O13 -","- C14 H30 Ce2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0191","0.0176","","","0.0455","0.0459","","","","","","1.019","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515069","6.4767","0.0015","10.689","0.003","13.198","0.003","89.954","0.009","88.851","0.001","80.06","0.007","899.8","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 N8 O13 Yb -","- C7 H15 N8 O13 Yb -","- C14 H30 N16 O26 Yb2 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0234","0.0217","","","0.0581","0.0586","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515070","6.46876","0.00014","10.6226","0.0003","13.1883","0.0003","89.9898","0.0019","90.8464","0.0017","99.7577","0.0019","893.02","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Lu N8 O13 -","- C7 H15 Lu N8 O13 -","- C14 H30 Lu2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0178","0.0156","","","0.0387","0.0398","","","","","","1.015","","","","has coordinates","220194","2020-10-21","18:00:00",""
"4515071","6.494","0.002","10.707","0.004","13.268","0.004","89.871","0.007","91.813","0.007","100.248","0.009","907.4","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Er N8 O13 -","- C7 H15 Er N8 O13 -","- C14 H30 Er2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0222","0.0205","","","0.0538","0.0542","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515072","6.5602","0.0002","10.7447","0.0003","13.3143","0.0004","89.977","0.002","87.647","0.003","79.155","0.003","920.93","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Eu N8 O13 -","- C7 H15 Eu N8 O13 -","- C14 H30 Eu2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","x-ray","0.71073","MoKα","","0.0223","0.0203","","","0.0573","0.0655","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515073","6.5684","0.0011","17.59","0.003","33.828","0.005","90","","90","","90","","3908.4","1.1","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Cu N O5 -","- C21 H21 Cu N O5 -","- C168 H168 Cu8 N8 O40 -","8","2","","Zehra, Siffeen; Roisnel, Thierry; Arjmand, Farukh","Enantiomeric Amino Acid Schiff Base Copper(II) Complexes as a New Class of RNA-Targeted Metallo-Intercalators: Single X-ray Crystal Structural Details, Comparative in Vitro DNA/RNA Binding Profile, Cleavage, and Cytotoxicity","ACS Omega","2019","4","4","7691","","10.1021/acsomega.9b00131","","x-ray","0.71073","MoKα","","0.1215","0.1104","","","0.2752","0.2805","","","","","","1.112","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515074","5.0624","0.0006","12.238","0.0015","21.83","0.003","90","","90","","90","","1352.4","0.3","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Cu N O3 -","- C16 H15 Cu N O3 -","- C64 H60 Cu4 N4 O12 -","4","1","","Zehra, Siffeen; Roisnel, Thierry; Arjmand, Farukh","Enantiomeric Amino Acid Schiff Base Copper(II) Complexes as a New Class of RNA-Targeted Metallo-Intercalators: Single X-ray Crystal Structural Details, Comparative in Vitro DNA/RNA Binding Profile, Cleavage, and Cytotoxicity","ACS Omega","2019","4","4","7691","","10.1021/acsomega.9b00131","","x-ray","0.71073","MoKα","","0.0449","0.0368","","","0.0732","0.076","","","","","","1.077","","","","has coordinates","220198","2020-10-21","18:00:00",""
"4515075","5.0732","0.0002","12.2596","0.0007","21.8597","0.0012","90","","90","","90","","1359.57","0.12","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Cu N O3 -","- C16 H15 Cu N O3 -","- C64 H60 Cu4 N4 O12 -","4","1","","Zehra, Siffeen; Roisnel, Thierry; Arjmand, Farukh","Enantiomeric Amino Acid Schiff Base Copper(II) Complexes as a New Class of RNA-Targeted Metallo-Intercalators: Single X-ray Crystal Structural Details, Comparative in Vitro DNA/RNA Binding Profile, Cleavage, and Cytotoxicity","ACS Omega","2019","4","4","7691","","10.1021/acsomega.9b00131","","x-ray","0.71073","MoKα","","0.0261","0.0234","","","0.0564","0.0576","","","","","","1.095","","","","has coordinates","220199","2020-10-21","18:00:00",""
"4515076","6.5975","0.0007","17.636","0.002","33.817","0.004","90","","90","","90","","3934.7","0.8","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Cu N O5 -","- C21 H21 Cu N O5 -","- C168 H168 Cu8 N8 O40 -","8","2","","Zehra, Siffeen; Roisnel, Thierry; Arjmand, Farukh","Enantiomeric Amino Acid Schiff Base Copper(II) Complexes as a New Class of RNA-Targeted Metallo-Intercalators: Single X-ray Crystal Structural Details, Comparative in Vitro DNA/RNA Binding Profile, Cleavage, and Cytotoxicity","ACS Omega","2019","4","4","7691","","10.1021/acsomega.9b00131","","x-ray","0.71073","MoKα","","0.0563","0.047","","","0.105","0.1083","","","","","","1.09","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515077","12.027","0.004","11.987","0.004","13.744","0.005","96.47","0.02","113.825","0.019","97.42","0.02","1767.5","1.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H48 N4 O4 -","- C40 H48 N4 O4 -","- C80 H96 N8 O8 -","2","1","","Roy, Ankita; Shee, Uday; Mukherjee, Abhishek; Mandal, Sushil Kumar; Roy, Partha","Rhodamine-Based Dual Chemosensor for Al3+ and Zn2+ Ions with Distinctly Separated Excitation and Emission Wavelengths","ACS Omega","2019","4","4","6864","","10.1021/acsomega.9b00475","","","0.71073","MoKα","","0.1114","0.0734","","","0.188","0.2146","","","","","","0.967","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515078","17.1182","0.0019","15.1767","0.0017","30.383","0.003","90","","99.899","0.001","90","","7775.9","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C98 H58 F18 N6 -","- C97.987 H57.988 F17.997 N6 -","- C391.948 H231.952 F71.988 N24 -","4","1","","Larsen, Simon; McCormick-McPherson, Laura J.; Teat, Simon J.; Ghosh, Abhik","Azulicorrole","ACS Omega","2019","4","4","6737","","10.1021/acsomega.9b00275","","","0.7288","synchrotron","","0.0835","0.063","","","0.1758","0.1895","","","","","","1.054","","","","has coordinates,has disorder","220202","2020-10-21","18:00:00",""
"4515079","17.593","0.0012","18.0587","0.0012","11.9975","0.0008","90","","96.358","0.002","90","","3788.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49.5 H27 Cu F9 N3 -","- C49.5 H27 Cu F9 N3 -","- C198 H108 Cu4 F36 N12 -","4","1","","Larsen, Simon; McCormick-McPherson, Laura J.; Teat, Simon J.; Ghosh, Abhik","Azulicorrole","ACS Omega","2019","4","4","6737","","10.1021/acsomega.9b00275","","","0.7288","synchrotron","","0.0516","0.0425","","","0.108","0.1159","","","","","","1.028","","","","has coordinates,has disorder","220203","2020-10-21","18:00:00",""
"4515080","12.2079","0.0008","9.6867","0.0006","21.9929","0.0015","90","","95.115","0.003","90","","2590.4","0.3","298.01","","298.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cl N3 O4 S -","- C28 H24 Cl N3 O4 S -","- C112 H96 Cl4 N12 O16 S4 -","4","1","","Luo, Qin; Huang, Rong; Xiao, Qiang; Kong, Ling-Bin; Lin, Jun; Yan, Sheng-Jiao","Cascade Reaction of 1,1-Enediamines with 2-Benzylidene-1<i>H</i>-indene-1,3(2<i>H</i>)-diones: Selective Synthesis of Indenodihydropyridine and Indenopyridine Compounds.","ACS omega","2019","4","4","6637","6646","10.1021/acsomega.9b00407","","","0.71073","MoKα","","0.1035","0.057","","","0.1404","0.1686","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515081","6.6018","0.0003","9.9118","0.0004","13.6939","0.0007","91.381","0.003","101.462","0.002","93.177","0.002","876.29","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cl N5 O8 -","- C14 H16 Cl N5 O8 -","- C28 H32 Cl2 N10 O16 -","2","1","","Mandal, Tripti; Pathak, Sudipta; Dey, Arka; Islam, Md Maidul; Seth, Saikat Kumar; Masum, Abdulla Al; Ortega-Castro, Joaquín; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata","Structures, Photoresponse Properties, and Biological Activity of Dicyano-Substituted 4-Aryl-2-pyridone Derivatives.","ACS omega","2019","4","4","7200","7212","10.1021/acsomega.9b00289","","","0.71073","MoKα","","0.0417","0.0367","","","0.0929","0.0973","","","","","","1.033","","","","has coordinates","220205","2020-10-21","18:00:00",""
"4515082","7.8612","0.0004","8.4861","0.0004","23.2316","0.0012","90","","98.556","0.003","90","","1532.55","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl N5 O3 -","- C14 H14 Cl N5 O3 -","- C56 H56 Cl4 N20 O12 -","4","1","","Mandal, Tripti; Pathak, Sudipta; Dey, Arka; Islam, Md Maidul; Seth, Saikat Kumar; Masum, Abdulla Al; Ortega-Castro, Joaquín; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata","Structures, Photoresponse Properties, and Biological Activity of Dicyano-Substituted 4-Aryl-2-pyridone Derivatives.","ACS omega","2019","4","4","7200","7212","10.1021/acsomega.9b00289","","","0.71073","MoKα","","0.0511","0.0445","","","0.1136","0.1184","","","","","","1.087","","","","has coordinates","220206","2020-10-21","18:00:00",""
"4515083","7.2927","0.0007","9.1776","0.001","11.1631","0.0011","77.182","0.006","88.271","0.007","82.163","0.007","721.72","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Br N5 O2 -","- C14 H12 Br N5 O2 -","- C28 H24 Br2 N10 O4 -","2","1","","Mandal, Tripti; Pathak, Sudipta; Dey, Arka; Islam, Md Maidul; Seth, Saikat Kumar; Masum, Abdulla Al; Ortega-Castro, Joaquín; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata","Structures, Photoresponse Properties, and Biological Activity of Dicyano-Substituted 4-Aryl-2-pyridone Derivatives.","ACS omega","2019","4","4","7200","7212","10.1021/acsomega.9b00289","","","0.71073","MoKα","","0.0795","0.0643","","","0.1544","0.1626","","","","","","1.094","","","","has coordinates","220207","2020-10-21","18:00:00",""
"4515084","10.5314","0.0006","10.6302","0.0006","13.7164","0.0008","102.443","0.003","98.834","0.003","114.216","0.002","1316.11","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N3 O2 -","- C13 H18 N3 O2 -","- C52 H72 N12 O8 -","4","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1164","0.0749","","","0.184","0.2198","","","","","","1.034","","","","has coordinates","220208","2020-10-21","18:00:00",""
"4515085","18.849","0.01","7.488","0.004","19.139","0.01","90","","97.82","0.02","90","","2676","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N3 O2 -","- C13 H18 N3 O2 -","- C104 H144 N24 O16 -","8","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0636","0.0496","","","0.1448","0.1567","","","","","","1.061","","","","has coordinates","220209","2020-10-21","18:00:00",""
"4515086","6.1907","0.0018","11.075","0.003","19.618","0.005","90","","97.051","0.014","90","","1334.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Br N3 O2 -","- C12 H15 Br N3 O2 -","- C48 H60 Br4 N12 O8 -","4","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0836","0.0474","","","0.1092","0.1241","","","","","","1.02","","","","has coordinates","220210","2020-10-21","18:00:00",""
"4515087","8.0121","0.0003","12.7977","0.0005","13.391","0.0005","90","","106.269","0.001","90","","1318.08","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Br N3 O2 -","- C12 H15 Br N3 O2 -","- C48 H60 Br4 N12 O8 -","4","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0515","0.0387","","","0.0952","0.1021","","","","","","1.044","","","","has coordinates","220211","2020-10-21","18:00:00",""
"4515088","6.6988","0.0019","34.935","0.009","11.682","0.003","90","","91.942","0.01","90","","2732.3","1.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Br N3 O2 -","- C12 H15 Br N3 O2 -","- C96 H120 Br8 N24 O16 -","8","4","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1808","0.0782","","","0.167","0.2064","","","","","","0.975","","","","has coordinates","220212","2020-10-21","18:00:00",""
"4515089","19.826","0.005","7.239","0.0018","41.11","0.01","90","","90","","90","","5900","3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H20 Cu F12 N3 O6 -","- C23 H20 Cu F12 N3 O6 -","- C184 H160 Cu8 F96 N24 O48 -","8","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1763","0.0783","","","0.1552","0.1933","","","","","","1.026","","","","has coordinates,has disorder","220213","2020-10-21","18:00:00",""
"4515090","15.7802","0.0006","12.5818","0.0005","15.4138","0.0007","90","","108.634","0.001","90","","2899.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cu F12 N3 O6 -","- C23 H20 Cu F12 N3 O6 -","- C92 H80 Cu4 F48 N12 O24 -","4","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0558","0.0338","","","0.0808","0.0904","","","","","","1.023","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515091","20.839","0.004","9.6376","0.0018","28.997","0.006","90","","90","","90","","5824","2","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H20 Cu F12 N3 O6 -","- C23 H20 Cu F12 N3 O6 -","- C184 H160 Cu8 F96 N24 O48 -","8","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1193","0.0689","","","0.1484","0.1772","","","","","","1.063","","","","has coordinates,has disorder","220215","2020-10-21","18:00:00",""
"4515092","13.3237","0.0014","15.1782","0.0016","15.7765","0.0016","101.254","0.003","103.824","0.003","112.546","0.003","2711.1","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H11.5 Cu1.25 F15 N1.5 O6 -","- C19 H11.5 Cu1.25 F15 N1.5 O6 -","- C76 H46 Cu5 F60 N6 O24 -","4","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0893","0.0416","","","0.0858","0.1025","","","","","","1.016","","","","has coordinates,has disorder","220216","2020-10-21","18:00:00",""
"4515093","11.341","0.002","14.706","0.003","15.816","0.004","62.409","0.006","85.136","0.006","88.528","0.007","2329.1","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16.5 H12 Cu F12 N1.5 O5.5 -","- C16.5 H12 Cu F12 N1.5 O5.5 -","- C66 H48 Cu4 F48 N6 O22 -","4","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.078","0.0565","","","0.1434","0.1595","","","","","","1.039","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515094","13.9711","0.0006","15.4799","0.0006","18.0186","0.0007","68.177","0.001","68.509","0.001","87.947","0.001","3343.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25.5 H20.5 Cu1.25 F15 N3 O7 -","- C25.5 H20.5 Cu1.25 F15 N3 O7 -","- C102 H82 Cu5 F60 N12 O28 -","4","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1744","0.0749","","","0.112","0.1373","","","","","","1.087","","","","has coordinates,has disorder","220218","2020-10-21","18:00:00",""
"4515095","13.4398","0.0015","11.7195","0.0013","18.904","0.002","90","","103.776","0.002","90","","2891.9","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Br Cu F12 N3 O6 -","- C22 H17 Br Cu F12 N3 O6 -","- C88 H68 Br4 Cu4 F48 N12 O24 -","4","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0963","0.0488","","","0.0902","0.1104","","","","","","1.081","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515096","10.718","0.005","10.821","0.005","13.907","0.007","81.07","0.03","74.4","0.03","72.74","0.03","1478.6","1.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H17 Br Cu F12 N3 O6 -","- C22 H17 Br Cu F12 N3 O6 -","- C44 H34 Br2 Cu2 F24 N6 O12 -","2","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0636","0.047","","","0.1074","0.119","","","","","","1.021","","","","has coordinates,has disorder","220220","2020-10-21","18:00:00",""
"4515097","9.4928","0.0004","12.2972","0.0005","13.3902","0.0005","82.71","0.001","84.069","0.001","87.204","0.001","1541.16","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H38 Br2 Cu2 F24 N6 O14 -","- C44 H38 Br2 Cu2 F24 N6 O14 -","- C44 H38 Br2 Cu2 F24 N6 O14 -","1","0.5","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1331","0.052","","","0.1029","0.1364","","","","","","1.004","","","","has coordinates,has disorder","220221","2020-10-21","18:00:00",""
"4515098","11.817","0.0018","12.746","0.002","13.058","0.002","75.169","0.007","79.992","0.007","89.769","0.007","1870.6","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C13.5 H9 Br0.5 Cu0.75 F9 N1.5 O4 -","- C13.5 H9 Br0.5 Cu0.75 F9 N1.5 O4 -","- C54 H36 Br2 Cu3 F36 N6 O16 -","4","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0609","0.0364","","","0.0836","0.0945","","","","","","1.011","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515099","15.772","0.002","12.6309","0.0017","15.211","0.002","90","","108.159","0.004","90","","2879.3","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Br Cu F12 N3 O6 -","- C22 H17 Br Cu F12 N3 O6 -","- C88 H68 Br4 Cu4 F48 N12 O24 -","4","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0748","0.0428","","","0.0836","0.0948","","","","","","1.062","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515100","9.516","0.001","13.5","0.0016","15.4847","0.0017","97.09","0.007","95.62","0.007","96.47","0.007","1948.8","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C13.5 H10 Br0.5 Cu0.75 F9 N1.5 O4.5 -","- C13.5 H10 Br0.5 Cu0.75 F9 N1.5 O4.5 -","- C54 H40 Br2 Cu3 F36 N6 O18 -","4","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.2149","0.1116","","","0.2987","0.3638","","","","","","1.092","","","","has coordinates,has disorder","220225","2020-10-21","18:00:00",""
"4515101","12.5858","0.0006","20.917","0.0009","14.6932","0.0006","90","","100.695","0.001","90","","3800.9","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H60 N16 Ni2 O18 S4 -","- C80 H60 N16 Ni2 O18 S4 -","- C160 H120 N32 Ni4 O36 S8 -","2","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D → 3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0717","0.0447","","","0.0628","0.0699","","","","","","1","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515102","20.9052","0.0014","24.2857","0.0017","9.8558","0.0007","90","","90","","90","","5003.8","0.6","295","2","295","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H22 N4 Ni O9 S -","- C24 H22 N4 Ni O9 S -","- C192 H176 N32 Ni8 O72 S8 -","8","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0495","0.0326","","","0.0724","0.0788","","","","","","1.022","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515103","21.5233","0.0018","24.378","0.002","10.1884","0.0009","90","","90","","90","","5345.8","0.8","295","2","295","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C25 H24 N4 Ni O9 S -","- C25 H24 N4 Ni O9 S -","- C200 H192 N32 Ni8 O72 S8 -","8","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0398","0.032","","","0.0802","0.0851","","","","","","1.035","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515104","10.167","0.0018","15.932","0.003","15.588","0.003","90","","105.585","0.003","90","","2432.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N5 Ni O9 S -","- C24 H17 N5 Ni O9 S -","- C96 H68 N20 Ni4 O36 S4 -","4","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0965","0.0583","","","0.1207","0.1355","","","","","","1.056","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515105","19.5397","0.0012","7.763","0.0005","16.0231","0.001","90","","108.024","0.001","90","","2311.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N5 Ni O8 S -","- C24 H21 N5 Ni O8 S -","- C96 H84 N20 Ni4 O32 S4 -","4","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0558","0.0362","","","0.079","0.0866","","","","","","1.006","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515106","10.0807","0.0004","24.8681","0.0011","20.3417","0.0009","90","","98.854","0.001","90","","5038.7","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H47 N9 Ni2 O17 S2 -","- C45 H47 N9 Ni2 O17 S2 -","- C180 H188 N36 Ni8 O68 S8 -","4","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0798","0.0523","","","0.1379","0.1525","","","","","","1.054","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515107","10.0122","0.001","11.9884","0.0011","12.1481","0.0012","89.688","0.002","66.634","0.002","85.591","0.002","1334.1","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 Cu N4 O9 S -","- C25 H24 Cu N4 O9 S -","- C50 H48 Cu2 N8 O18 S2 -","2","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.115","0.0582","","","0.1017","0.1188","","","","","","1.019","","","","has coordinates,has disorder","220226","2020-10-21","18:00:00",""
"4515108","9.785","0.0009","9.9253","0.0009","13.5265","0.0012","91.391","0.002","109.448","0.002","106.198","0.002","1179.56","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19.5 Cu N5 O7.25 S -","- C24 H19.5 Cu N5 O7.25 S -","- C48 H39 Cu2 N10 O14.5 S2 -","2","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0636","0.0436","","","0.1035","0.1126","","","","","","1.028","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515109","9.5351","0.0007","10.0206","0.0007","13.5083","0.0009","82.07","0.001","77.035","0.002","66.975","0.001","1155.76","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 Cu N4 O8 S -","- C25 H16 Cu N4 O8 S -","- C50 H32 Cu2 N8 O16 S2 -","2","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0683","0.0473","","","0.1135","0.1242","","","","","","1.034","","","","has coordinates,has disorder","220226","2020-10-21","18:00:00",""
"4515110","24.128","0.0006","20.9554","0.0005","21.3904","0.0005","90","","90","","90","","10815.2","0.5","100","2","99.99","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","9-[3'-(trifluoroborato)phenyl)]-10-(4""-octyloxyphenyl)acridinium","","- C33 H33 B F3 N O -","- C33 H33 B F3 N O -","- C528 H528 B16 F48 N16 O16 -","16","1","","Durka, Krzysztof; Urban, Mateusz; Dąbrowski, Marek; Jankowski, Piotr; Kliś, Tomasz; Luliński, Sergiusz","Cationic and Betaine-Type Boronated Acridinium Dyes: Synthesis, Characterization, and Photocatalytic Activity.","ACS omega","2019","4","2","2482","2492","10.1021/acsomega.8b03290","","","1.5418","CuKα","","0.0425","0.0393","","","0.105","0.1081","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515111","9.0912","0.0001","11.4484","0.0002","19.9334","0.0003","90","","94.019","0.001","90","","2069.56","0.05","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N14 O6 Zn -","- C16 H16 N14 O6 Zn -","- C64 H64 N56 O24 Zn4 -","4","0.5","","Rajak, Sanil; Mohan, Midhun; A Tremblay, Alexandre; Maris, Thierry; Leal do Santos, Silvano; Venancio, Everaldo Carlos; Ferreira Santos, Sydney; Duong, Adam","Programmed Molecular Construction: Driving the Self-Assembly by Coordination and Hydrogen Bonds Using 6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine with M(NO<sub>3</sub>)<sub>2</sub> Salts.","ACS omega","2019","4","2","2708","2718","10.1021/acsomega.8b03517","","x-ray","1.54178","CuKα","","0.0258","0.0251","","","0.069","0.0695","","","","","","1.067","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515112","39.7847","0.0019","8.9349","0.0004","11.8029","0.0006","90","","90","","90","","4195.6","0.3","120","","120","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H16 Co N14 O6 -","- C16 H16 Co N14 O6 -","- C128 H128 Co8 N112 O48 -","8","0.5","","Rajak, Sanil; Mohan, Midhun; A Tremblay, Alexandre; Maris, Thierry; Leal do Santos, Silvano; Venancio, Everaldo Carlos; Ferreira Santos, Sydney; Duong, Adam","Programmed Molecular Construction: Driving the Self-Assembly by Coordination and Hydrogen Bonds Using 6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine with M(NO<sub>3</sub>)<sub>2</sub> Salts.","ACS omega","2019","4","2","2708","2718","10.1021/acsomega.8b03517","","x-ray","1.34139","GaKα","","0.041","0.0376","","","0.0888","0.0906","","","","","","1.089","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515113","15.284","0.0011","9.036","0.0007","16.0867","0.0011","90","","105.075","0.003","90","","2145.2","0.3","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cu N14 O6 -","- C16 H16 Cu N14 O6 -","- C64 H64 Cu4 N56 O24 -","4","1","","Rajak, Sanil; Mohan, Midhun; A Tremblay, Alexandre; Maris, Thierry; Leal do Santos, Silvano; Venancio, Everaldo Carlos; Ferreira Santos, Sydney; Duong, Adam","Programmed Molecular Construction: Driving the Self-Assembly by Coordination and Hydrogen Bonds Using 6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine with M(NO<sub>3</sub>)<sub>2</sub> Salts.","ACS omega","2019","4","2","2708","2718","10.1021/acsomega.8b03517","","x-ray","1.34139","GaKα","","0.0758","0.0672","","","0.1716","0.1834","","","","","","1.086","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515114","39.702","0.002","8.8392","0.0004","11.9162","0.0006","90","","90","","90","","4181.8","0.4","120","","120","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H16 N14 Ni O6 -","- C16 H16 N14 Ni O6 -","- C128 H128 N112 Ni8 O48 -","8","0.5","","Rajak, Sanil; Mohan, Midhun; A Tremblay, Alexandre; Maris, Thierry; Leal do Santos, Silvano; Venancio, Everaldo Carlos; Ferreira Santos, Sydney; Duong, Adam","Programmed Molecular Construction: Driving the Self-Assembly by Coordination and Hydrogen Bonds Using 6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine with M(NO<sub>3</sub>)<sub>2</sub> Salts.","ACS omega","2019","4","2","2708","2718","10.1021/acsomega.8b03517","","x-ray","1.34139","GaKα","","0.0615","0.056","","","0.143","0.147","","","","","","1.078","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515115","8.3231","0.0004","18.3439","0.0009","26.7035","0.0013","90","","91.709","0.002","90","","4075.2","0.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H42 Au2 F12 N10 P2 -","- C34 H42 Au2 F12 N10 P2 -","- C136 H168 Au8 F48 N40 P8 -","4","0.5","","Monticelli, Marco; Baron, Marco; Tubaro, Cristina; Bellemin-Laponnaz, Stéphane; Graiff, Claudia; Bottaro, Gregorio; Armelao, Lidia; Orian, Laura","Structural and Luminescent Properties of Homoleptic Silver(I), Gold(I), and Palladium(II) Complexes with <i>n</i>NHC-<i>tz</i>NHC Heteroditopic Carbene Ligands.","ACS omega","2019","4","2","4192","4205","10.1021/acsomega.8b03668","","","0.71073","MoKα","","0.0605","0.0578","","","0.176","0.1796","","","","","","1.061","","","","has coordinates","220232","2020-10-21","18:00:00",""
"4515116","24.845","0.002","14.7302","0.0012","24.302","0.002","90","","105.831","0.001","90","","8556.5","1.2","173","2","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H41 Au2 F12 N11 P2 -","- C34 H37 Au2 F12 N11 P2 -","- C272 H296 Au16 F96 N88 P16 -","8","1","","Monticelli, Marco; Baron, Marco; Tubaro, Cristina; Bellemin-Laponnaz, Stéphane; Graiff, Claudia; Bottaro, Gregorio; Armelao, Lidia; Orian, Laura","Structural and Luminescent Properties of Homoleptic Silver(I), Gold(I), and Palladium(II) Complexes with <i>n</i>NHC-<i>tz</i>NHC Heteroditopic Carbene Ligands.","ACS omega","2019","4","2","4192","4205","10.1021/acsomega.8b03668","","","0.71073","MoKα","","0.0706","0.0542","","","0.1079","0.1133","","","","","","1.184","","","","has coordinates,has disorder","220232","2020-10-21","18:00:00",""
"4515117","22.366","0.002","23.882","0.002","21.841","0.002","90","","106.733","0.002","90","","11172.3","1.7","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 Ag Au2 F18 N12 O0.5 P3 -","- C40 H50 Ag Au2 F18 N12 O0.5 P3 -","- C320 H400 Ag8 Au16 F144 N96 O4 P24 -","8","1","","Monticelli, Marco; Baron, Marco; Tubaro, Cristina; Bellemin-Laponnaz, Stéphane; Graiff, Claudia; Bottaro, Gregorio; Armelao, Lidia; Orian, Laura","Structural and Luminescent Properties of Homoleptic Silver(I), Gold(I), and Palladium(II) Complexes with <i>n</i>NHC-<i>tz</i>NHC Heteroditopic Carbene Ligands.","ACS omega","2019","4","2","4192","4205","10.1021/acsomega.8b03668","","","0.71073","MoKα","","0.1003","0.053","","","0.1399","0.1671","","","","","","1.025","","","","has coordinates,has disorder","220232","2020-10-21","18:00:00",""
"4515118","11.917","0.003","12.117","0.003","15.264","0.004","90","","97.907","0.005","90","","2183.1","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 F12 N12 P2 Pd -","- C36 H44 F12 N12 P2 Pd -","- C72 H88 F24 N24 P4 Pd2 -","2","0.5","","Monticelli, Marco; Baron, Marco; Tubaro, Cristina; Bellemin-Laponnaz, Stéphane; Graiff, Claudia; Bottaro, Gregorio; Armelao, Lidia; Orian, Laura","Structural and Luminescent Properties of Homoleptic Silver(I), Gold(I), and Palladium(II) Complexes with <i>n</i>NHC-<i>tz</i>NHC Heteroditopic Carbene Ligands.","ACS omega","2019","4","2","4192","4205","10.1021/acsomega.8b03668","","","0.71073","MoKα","","0.0785","0.0596","","","0.161","0.1814","","","","","","1.049","","","","has coordinates","220232","2020-10-21","18:00:00",""
"4515119","10.8449","0.0004","16.94","0.0007","11.0749","0.0004","90","","96.952","0.004","90","","2019.64","0.13","293","2","293","2","","","","","","","Synthesis","4","P 1 21/n 1","-P 2yn","14","","Unknown","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C100 H76 N4 O8 -","4","1","","Sahoo, Subas Chandra; Maity, Rajendra; Pan, Subhas Chandra","DBU-Mediated Addition of α-Nitroketones to α-Cyano-enones and α,β-Unsaturated α-Ketoesters: Synthesis of Dihydrofurans and Conjugated Dienes.","ACS omega","2019","4","2","2792","2803","10.1021/acsomega.8b03651","","x-ray","0.71073","MoKα","","0.0721","0.05","","","0.1128","0.1281","","","","","","1.064","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515120","11.3261","0.0015","9.821","0.0014","14.4412","0.0019","90","","91.297","0.005","90","","1605.9","0.4","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6.25 H6 O12.5 Zn3 -","- C6.25 H6 O12.5 Zn3 -","- C25 H24 O50 Zn12 -","4","1","","Wu, Bowei; Wong, Y. T. Angel; Lucier, Bryan E. G.; Boyle, Paul D.; Huang, Yining","Exploring Host-Guest Interactions in the α-Zn<sub>3</sub>(HCOO)<sub>6</sub> Metal-Organic Framework.","ACS omega","2019","4","2","4000","4011","10.1021/acsomega.8b03623","","","1.54178","CuKα","","0.0306","0.0303","","","0.0986","0.0992","","","","","","1.224","","","","has coordinates","220234","2020-10-21","18:00:00",""
"4515121","11.884","0.002","20.255","0.004","20.493","0.004","90","","90","","90","","4932.9","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H84 Cl2 Ge Si7 -","- C36 H84 Cl2 Ge Si7 -","- C144 H336 Cl8 Ge4 Si28 -","4","1","","Lee, Vladimir Ya; Horiguchi, Satoru; Sekiguchi, Akira; Gapurenko, Olga A.; Gribanova, Tatyana N.; Minkin, Vladimir I.; Gornitzka, Heinz","Tuning Philicity of Dichlorosilylene: Nucleophilic Behavior of the Dichlorosilylene-NHC Complex Cl<sub>2</sub>Si-IPr.","ACS omega","2019","4","2","2902","2906","10.1021/acsomega.8b03429","","","0.71073","MoKα","","0.1403","0.1044","","","0.2728","0.3004","","","","","","1.065","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515122","9.705","0.001","13.171","0.002","13.993","0.002","70.842","0.011","77.032","0.012","70.551","0.014","1579.8","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H29 Mg N9 O2 -","- C37 H29 Mg N9 O2 -","- C74 H58 Mg2 N18 O4 -","2","1","","Janczak, Jan","Water-Involved Hydrogen Bonds in Dimeric Supramolecular Structures of Magnesium and Zinc Phthalocyaninato Complexes.","ACS omega","2019","4","2","3673","3683","10.1021/acsomega.8b03055","","","0.71073","MoKα","","0.1026","0.0564","","","0.1443","0.172","","","","","","1.002","","","","has coordinates","220236","2020-10-21","18:00:00",""
"4515123","9.692","0.001","13.133","0.002","13.915","0.002","70.98","0.011","76.873","0.012","70.592","0.011","1565.2","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H29 N9 O2 Zn -","- C37 H29 N9 O2 Zn -","- C74 H58 N18 O4 Zn2 -","2","1","","Janczak, Jan","Water-Involved Hydrogen Bonds in Dimeric Supramolecular Structures of Magnesium and Zinc Phthalocyaninato Complexes.","ACS omega","2019","4","2","3673","3683","10.1021/acsomega.8b03055","","","0.71073","MoKα","","0.2272","0.0648","","","0.0665","0.085","","","","","","1.003","","","","has coordinates","220237","2020-10-21","18:00:00",""
"4515124","9.4051","0.0012","9.1919","0.0011","18.885","0.002","90","","90.699","0.002","90","","1632.5","0.3","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C68 H76 N12 O12 -","4","1","","Zi, Quan-Xing; Yan, Sheng-Jiao; Yang, Chang-Long; Li, Kun; Lin, Jun","Three-Component Cascade Reaction of 1,1-Enediamines, <i>N</i>,<i>N</i>-Dimethylformamide Dimethyl Acetal, and 1,3-Dicarbonyl Compounds: Selective Synthesis of Diverse 2-Aminopyridine Derivatives.","ACS omega","2019","4","2","2863","2873","10.1021/acsomega.8b03284","","","0.71073","MoKα","","0.0798","0.053","","","0.1405","0.1623","","","","","","1.044","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515125","6.2644","0.0009","9.8335","0.0014","27.698","0.004","90","","90","","90","","1706.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl N3 O3 -","- C18 H18 Cl N3 O3 -","- C72 H72 Cl4 N12 O12 -","4","1","","Zi, Quan-Xing; Yan, Sheng-Jiao; Yang, Chang-Long; Li, Kun; Lin, Jun","Three-Component Cascade Reaction of 1,1-Enediamines, <i>N</i>,<i>N</i>-Dimethylformamide Dimethyl Acetal, and 1,3-Dicarbonyl Compounds: Selective Synthesis of Diverse 2-Aminopyridine Derivatives.","ACS omega","2019","4","2","2863","2873","10.1021/acsomega.8b03284","","","0.71073","MoKα","","0.0553","0.0369","","","0.0747","0.0827","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515126","26.9468","0.0005","5.1107","0.0009","26.9471","0.0005","90","","104.23","0.01","90","","3597.2","0.7","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C168 H136 N24 O24 -","8","2","","Zi, Quan-Xing; Yan, Sheng-Jiao; Yang, Chang-Long; Li, Kun; Lin, Jun","Three-Component Cascade Reaction of 1,1-Enediamines, <i>N</i>,<i>N</i>-Dimethylformamide Dimethyl Acetal, and 1,3-Dicarbonyl Compounds: Selective Synthesis of Diverse 2-Aminopyridine Derivatives.","ACS omega","2019","4","2","2863","2873","10.1021/acsomega.8b03284","","","0.71073","MoKα","","0.1615","0.0576","","","0.0981","0.1285","","","","","","0.962","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515127","7.488","0.004","8.724","0.004","9.661","0.004","93.316","0.019","100.23","0.02","91.98","0.02","619.4","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C26 H26 N6 O4 -","2","1","","Tighadouini, Said; Radi, Smaail; Ferbinteanu, Marilena; Garcia, Yann","Highly Selective Removal of Pb(II) by a Pyridylpyrazole-β-ketoenol Receptor Covalently Bonded onto the Silica Surface.","ACS omega","2019","4","2","3954","3964","10.1021/acsomega.8b03642","","","0.71075","MoKα","","0.1045","0.0758","","","0.2164","0.2442","","","","","","1.114","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515128","6.8236","0.0006","18.8561","0.0017","7.845","0.0006","90","","90","","90","","1009.39","0.15","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","","Borthakur, Upasana; Biswas, Subhamoy; Saikia, Anil K.","Vinylsilanes in Highly Diastereo- and Regio-Selective Synthesis of Dihydropyrans.","ACS omega","2019","4","2","2630","2636","10.1021/acsomega.8b03635","","","0.71073","MoKα","","0.0687","0.0524","","","0.1482","0.165","","","","","","1.083","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515129","9.829","0.0005","15.0471","0.0007","21.1706","0.0008","90","","90.844","0.001","90","","3130.7","0.2","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 S8 -","- C29 H34 S8 -","- C116 H136 S32 -","4","1","","Press, David J.; Gendy, Chris; Pasalkar, Samruddhi; Schechtel, Shauna; Heyne, Belinda; Sutherland, Todd C.","Synthesis of Tetrathia-Oligothiophene Macrocycles.","ACS omega","2019","4","2","3405","3408","10.1021/acsomega.8b03444","","","0.71073","MoKα","","0.06","0.0394","","","0.0931","0.1056","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515130","11.0663","0.0005","15.3836","0.0007","23.1586","0.001","84.963","0.001","77.302","0.001","69.127","0.001","3593.5","0.3","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H44 S8 -","- C34 H44 S8 -","- C136 H176 S32 -","4","2","","Press, David J.; Gendy, Chris; Pasalkar, Samruddhi; Schechtel, Shauna; Heyne, Belinda; Sutherland, Todd C.","Synthesis of Tetrathia-Oligothiophene Macrocycles.","ACS omega","2019","4","2","3405","3408","10.1021/acsomega.8b03444","","","0.71073","MoKα","","0.0628","0.0416","","","0.0969","0.1078","","","","","","1.017","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515131","8.171","0.0003","18.163","0.0008","33.575","0.0004","100.16","","92.47","","98.58","","4837.5","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 S10 -","- C32 H28 S10 -","- C192 H168 S60 -","6","3","","Press, David J.; Gendy, Chris; Pasalkar, Samruddhi; Schechtel, Shauna; Heyne, Belinda; Sutherland, Todd C.","Synthesis of Tetrathia-Oligothiophene Macrocycles.","ACS omega","2019","4","2","3405","3408","10.1021/acsomega.8b03444","","","0.7107","MoKα","","0.0877","0.0668","","","0.1211","0.1332","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515132","12.8026","0.0007","18.5047","0.0007","12.4753","0.0007","90","","100.02","0.002","90","","2910.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N S8 -","- C26 H27 N S8 -","- C104 H108 N4 S32 -","4","1","","Press, David J.; Gendy, Chris; Pasalkar, Samruddhi; Schechtel, Shauna; Heyne, Belinda; Sutherland, Todd C.","Synthesis of Tetrathia-Oligothiophene Macrocycles.","ACS omega","2019","4","2","3405","3408","10.1021/acsomega.8b03444","","","0.71073","MoKα","","0.0565","0.0357","","","0.0729","0.0843","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515133","10.5885","0.0007","6.1624","0.0004","23.953","0.0016","90","","94.492","0.001","90","","1558.15","0.18","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 S8 -","- C24 H24 S8 -","- C48 H48 S16 -","2","0.5","","Press, David J.; Gendy, Chris; Pasalkar, Samruddhi; Schechtel, Shauna; Heyne, Belinda; Sutherland, Todd C.","Synthesis of Tetrathia-Oligothiophene Macrocycles.","ACS omega","2019","4","2","3405","3408","10.1021/acsomega.8b03444","","","0.71073","MoKα","","0.0308","0.0264","","","0.0635","0.067","","","","","","1.041","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515134","10.7899","0.0001","10.6921","0.0001","16.1054","0.0001","90","","91.339","0.001","90","","1857.52","0.03","130","0.1","130","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H24 O -","- C25 H24 O -","- C100 H96 O4 -","4","2","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.","ACS omega","2019","4","2","3244","3256","10.1021/acsomega.8b03337","","x-ray","1.54184","CuKα","","0.0289","0.0287","","","0.0759","0.0761","","","","","","1.038","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515135","11.0028","0.0002","6.94336","0.00016","25.5705","0.0005","90","","99.503","0.002","90","","1926.69","0.07","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C48 H60 O -","- C48 H60 O -","- C96 H120 O2 -","2","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.","ACS omega","2019","4","2","3244","3256","10.1021/acsomega.8b03337","","x-ray","1.54184","CuKα","","0.043","0.0394","","","0.1012","0.104","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515136","7.88777","0.00011","15.4336","0.0002","24.6842","0.0004","90","","90","","90","","3004.97","0.08","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H42 O2 -","- C40 H42 O2 -","- C160 H168 O8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.","ACS omega","2019","4","2","3244","3256","10.1021/acsomega.8b03337","","x-ray","1.54184","CuKα","","0.0441","0.0404","","","0.1035","0.1065","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515137","7.67545","0.00013","10.23967","0.00017","26.7674","0.0004","90","","90","","90","","2103.76","0.06","130","0.14","130","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 O -","- C29 H24 O -","- C116 H96 O4 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.","ACS omega","2019","4","2","3244","3256","10.1021/acsomega.8b03337","","x-ray","1.54184","CuKα","","0.0361","0.0349","","","0.0913","0.0926","","","","","","1.055","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515138","17.4359","0.0013","7.4145","0.0005","17.9343","0.0011","90","","97.876","0.006","90","","2296.6","0.3","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H24 O3 -","- C30 H24 O3 -","- C120 H96 O12 -","4","2","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.","ACS omega","2019","4","2","3244","3256","10.1021/acsomega.8b03337","","x-ray","1.54184","CuKα","","0.1414","0.0995","","","0.2606","0.3057","","","","","","1.023","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515139","17.687","0.003","20.208","0.003","12.9161","0.0019","90","","96.737","0.004","90","","4584.6","1.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F6 N2 O4 S3 -","- C19 H19 F6 N2 O4 S3 -","- C152 H152 F48 N16 O32 S24 -","8","2","","Suzuki, Shuichi; Maya, Ryochi; Uchida, Yoshiaki; Naota, Takeshi","Strategy for Stimuli-Induced Spin Control Using a Liquescent Radical Cation.","ACS omega","2019","4","6","10031","10035","10.1021/acsomega.9b00982","","","0.71075","MoKα","","0.1478","0.0632","","","0.137","0.1677","","","","","","0.956","","","","has coordinates","220249","2020-10-21","18:00:00",""
"4515140","17.677","0.002","20.167","0.003","12.8973","0.0016","90","","96.7","0.003","90","","4566.4","1","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F6 N2 O4 S3 -","- C19 H19 F6 N2 O4 S3 -","- C152 H152 F48 N16 O32 S24 -","8","2","","Suzuki, Shuichi; Maya, Ryochi; Uchida, Yoshiaki; Naota, Takeshi","Strategy for Stimuli-Induced Spin Control Using a Liquescent Radical Cation.","ACS omega","2019","4","6","10031","10035","10.1021/acsomega.9b00982","","","0.71075","MoKα","","0.0832","0.051","","","0.1299","0.1416","","","","","","1.09","","","","has coordinates","220250","2020-10-21","18:00:00",""
"4515141","7.683","0.0015","13.097","0.003","13.447","0.002","77.155","0.016","82.425","0.015","76.579","0.014","1278.6","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 F6 N2 O4 S3 -","- C22 H25 F6 N2 O4 S3 -","- C44 H50 F12 N4 O8 S6 -","2","1","","Suzuki, Shuichi; Maya, Ryochi; Uchida, Yoshiaki; Naota, Takeshi","Strategy for Stimuli-Induced Spin Control Using a Liquescent Radical Cation.","ACS omega","2019","4","6","10031","10035","10.1021/acsomega.9b00982","","","0.71075","MoKα","","0.0941","0.0572","","","0.1257","0.1343","","","","","","0.837","","","","has coordinates","220251","2020-10-21","18:00:00",""
"4515142","9.5649","0.0014","14.9","0.002","16.507","0.003","97.926","0.005","99.466","0.004","95.106","0.003","2283.3","0.6","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 F6 N2 O4 S3 -","- C19 H19 F6 N2 O4 S3 -","- C76 H76 F24 N8 O16 S12 -","4","2","","Suzuki, Shuichi; Maya, Ryochi; Uchida, Yoshiaki; Naota, Takeshi","Strategy for Stimuli-Induced Spin Control Using a Liquescent Radical Cation.","ACS omega","2019","4","6","10031","10035","10.1021/acsomega.9b00982","","","0.71075","MoKα","","0.0929","0.0614","","","0.1648","0.1782","","","","","","1.025","","","","has coordinates","220252","2020-10-21","18:00:00",""
"4515143","7.7171","0.0006","12.0362","0.0009","13.6112","0.001","97.711","0.003","101.915","0.003","92.365","0.004","1222.74","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 N5 O7.5 -","- C9 H8 N5 O7.5 -","- C36 H32 N20 O30 -","4","2","","Khan, Ishaat M.; Shakya, Sonam","Exploring Colorimetric Real-Time Sensing Behavior of a Newly Designed CT Complex toward Nitrobenzene and Co<sup>2+</sup>: Spectrophotometric, DFT/TD-DFT, and Mechanistic Insights.","ACS omega","2019","4","6","9983","9995","10.1021/acsomega.9b01314","","","0.71073","MoKα","","0.0851","0.0737","","","0.2316","0.2515","","","","","","1.0586","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515144","12.9324","0.0007","17.7182","0.001","20.6303","0.001","87.335","0.004","72.611","0.005","70.314","0.005","4239.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H32 O25 Zn7 -","- C66 H32 O25 Zn7 -","- C132 H64 O50 Zn14 -","2","1","","Ding, Qiongjie; Pan, Ying; Luo, Yingmei; Zhou, Mi; Guan, Yucheng; Li, Baohong; Trivedi, Manoj; Kumar, Abhinav; Liu, Jianqiang","Photocatalytic and Ferric Ion Sensing Properties of a New Three-Dimensional Metal-Organic Framework Based on Cuboctahedral Secondary Building Units.","ACS omega","2019","4","6","10775","10783","10.1021/acsomega.9b01008","","","1.54184","CuKα","","0.0722","0.0616","","","0.176","0.1834","","","","","","1.069","","","","has coordinates","220254","2020-10-21","18:00:00",""
"4515145","7.9525","0.001","7.9525","","5.7712","0.0009","90","","90","","120","","316.09","0.06","296","","296","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- Al2 Ca N8 Si4 -","- Al1.9998 Ca N8 Si4.0002 -","- Al3.9996 Ca2 N16 Si8.0004 -","2","0.333333","","Hasegawa, Shota; Hasegawa, Takuya; Kim, Sun Woog; Yamanashi, Ryota; Uematsu, Kazuyoshi; Toda, Kenji; Sato, Mineo","Single Crystal Growth and Crystal Structure Analysis of Novel Orange-Red Emission Pure Nitride CaAl<sub>2</sub>Si<sub>4</sub>N<sub>8</sub>:Eu<sup>2+</sup> Phosphor.","ACS omega","2019","4","6","9939","9945","10.1021/acsomega.9b00606","","","0.71075","MoKα","","0.0261","0.0261","","","0.0655","0.0656","","","","","","1.107","","","","has coordinates","220255","2020-10-21","18:00:00",""
"4515146","8.0663","0.0005","29.9873","0.0018","40.915","0.003","90","","90","","90","","9896.8","1.1","173","2","173","2","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C18.98 H15.23 Ag F3 N6 O2 S2 -","- C18.976 H15.232 Ag F3 N6 O2 S2 -","- C303.616 H243.712 Ag16 F48 N96 O32 S32 -","16","1","","Wang, Xin; Chang, Zhiduo; Jing, Xu; He, Cheng; Duan, Chunying","Double-Helical Ag-S Rod-Based Porous Coordination Polymers with Double Activation: σ-Active and π-Active Functions.","ACS omega","2019","4","6","10828","10833","10.1021/acsomega.9b00742","","","0.71073","MoKα","","0.1408","0.0989","","","0.2485","0.2718","","","","","","1.193","","","","has coordinates","220256","2020-10-21","18:00:00",""
"4515147","16.1257","0.0006","5.0821","0.0002","19.3075","0.0006","90","","97.582","0.002","90","","1568.46","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2a","","","- C14 H24 F N O4 -","- C14 H24 F N O4 -","- C56 H96 F4 N4 O16 -","4","2","","Reeve, Philip A. P.; Grabowska, Urszula; Oden, Lourdes Salvador; Wiktelius, Daniel; Wångsell, Fredrik; Jackson, Richard F. W.","Radical Functionalization of Unsaturated Amino Acids: Synthesis of Side-Chain-Fluorinated, Azido-Substituted, and Hydroxylated Amino Acids.","ACS omega","2019","4","6","10854","10865","10.1021/acsomega.9b01509","","","1.54178","CuKα","","0.1062","0.0571","","","0.1104","0.1295","","","","","","1.019","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515148","5.2019","0.0001","11.2334","0.0003","28.6154","0.0006","90","","90","","90","","1672.14","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","24","","","- C15 H24 F3 N O4 -","- C15 H24 F3 N O4 -","- C60 H96 F12 N4 O16 -","4","1","","Reeve, Philip A. P.; Grabowska, Urszula; Oden, Lourdes Salvador; Wiktelius, Daniel; Wångsell, Fredrik; Jackson, Richard F. W.","Radical Functionalization of Unsaturated Amino Acids: Synthesis of Side-Chain-Fluorinated, Azido-Substituted, and Hydroxylated Amino Acids.","ACS omega","2019","4","6","10854","10865","10.1021/acsomega.9b01509","","","1.54178","CuKα","","0.0271","0.026","","","0.0646","0.0656","","","","","","1.092","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515149","5.8929","0.0004","9.6349","0.0006","13.2171","0.0009","90","","95.355","0.004","90","","747.16","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","40","","","- C14 H24 N2 O3 -","- C14 H24 N2 O3 -","- C28 H48 N4 O6 -","2","1","","Reeve, Philip A. P.; Grabowska, Urszula; Oden, Lourdes Salvador; Wiktelius, Daniel; Wångsell, Fredrik; Jackson, Richard F. W.","Radical Functionalization of Unsaturated Amino Acids: Synthesis of Side-Chain-Fluorinated, Azido-Substituted, and Hydroxylated Amino Acids.","ACS omega","2019","4","6","10854","10865","10.1021/acsomega.9b01509","","","1.54178","CuKα","","0.0489","0.0381","","","0.0788","0.0828","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515150","6.95","0.008","12.601","0.01","13.48","0.013","69.33","0.03","83.01","0.04","83.13","0.06","1092.6","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cu N6 O2 -","- C24 H20 Cu N6 O2 -","- C48 H40 Cu2 N12 O4 -","2","1","","Salbego, Paulo R. S.; Bender, Caroline R.; Orlando, Tainára; Moraes, Guilherme A.; Copetti, João P P; Weimer, Gustavo H.; Bonacorso, Helio G.; Zanatta, Nilo; Hoerner, Manfredo; Martins, Marcos A. P.","Supramolecular Similarity in Polymorphs: Use of Similarity Indices (I<sup>X</sup>).","ACS omega","2019","4","6","9697","9709","10.1021/acsomega.8b03660","","x-ray","0.56087","AgKα","","0.0417","0.0303","","","0.0824","0.0941","","","","","","1.15","","","","has coordinates","220258","2020-10-21","18:00:00",""
"4515151","5.3076","0.0002","22.0688","0.0009","9.7098","0.0004","90","","103.682","0.001","90","","1105.06","0.08","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H18 Cu N6 O2 -","- C24 H20 Cu N6 O2 -","- C48 H40 Cu2 N12 O4 -","2","1","","Salbego, Paulo R. S.; Bender, Caroline R.; Orlando, Tainára; Moraes, Guilherme A.; Copetti, João P P; Weimer, Gustavo H.; Bonacorso, Helio G.; Zanatta, Nilo; Hoerner, Manfredo; Martins, Marcos A. P.","Supramolecular Similarity in Polymorphs: Use of Similarity Indices (I<sup>X</sup>).","ACS omega","2019","4","6","9697","9709","10.1021/acsomega.8b03660","","x-ray","0.71073","MoKα","","0.1611","0.0805","","","0.2029","0.2387","","","","","","1.029","","","","has coordinates","220259","2020-10-21","18:00:00",""
"4515152","11.3898","0.0008","5.067","0.0003","18.3989","0.0014","90","","99.046","0.003","90","","1048.63","0.13","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,3-Diphenyltriaz-1-ene","1,3-Diphenyltriaz-1-ene","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Salbego, Paulo R. S.; Bender, Caroline R.; Orlando, Tainára; Moraes, Guilherme A.; Copetti, João P P; Weimer, Gustavo H.; Bonacorso, Helio G.; Zanatta, Nilo; Hoerner, Manfredo; Martins, Marcos A. P.","Supramolecular Similarity in Polymorphs: Use of Similarity Indices (I<sup>X</sup>).","ACS omega","2019","4","6","9697","9709","10.1021/acsomega.8b03660","","x-ray","0.71073","MoKα","","0.1066","0.0698","","","0.1943","0.2173","","","","","","1.082","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515153","10.0093","0.0004","5.0606","0.0002","11.3529","0.0004","90","","114.639","0.001","90","","522.7","0.03","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","1,3-Diphenyltriaz-1-ene","1,3-Diphenyltriaz-1-ene","","- C12 H11 N3 -","- C12 H11 N3 -","- C24 H22 N6 -","2","1","","Salbego, Paulo R. S.; Bender, Caroline R.; Orlando, Tainára; Moraes, Guilherme A.; Copetti, João P P; Weimer, Gustavo H.; Bonacorso, Helio G.; Zanatta, Nilo; Hoerner, Manfredo; Martins, Marcos A. P.","Supramolecular Similarity in Polymorphs: Use of Similarity Indices (I<sup>X</sup>).","ACS omega","2019","4","6","9697","9709","10.1021/acsomega.8b03660","","x-ray","0.71073","MoKα","","0.0638","0.0509","","","0.14","0.1477","","","","","","1.09","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515154","15.5743","0.0007","8.6442","0.0004","8.8487","0.0004","90","","90","","90","","1191.28","0.09","100","0.2","100","0.2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","x-ray","1.54184","CuKα","","0.0442","0.04","","","0.1064","0.1111","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515155","9.4539","0.0002","11.2454","0.0002","12.3556","0.0003","90","","106.31","0.002","90","","1260.7","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","","1.54184","CuKα","","0.0391","0.0367","","","0.0926","0.0944","","","","","","1.079","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515156","8.827","0.006","15.463","0.01","13.152","0.012","90","","109.534","0.013","90","","1692","2","173","2","173.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","","0.71073","MoKα","","0.0838","0.0473","","","0.0911","0.1031","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515157","12.044","0.019","12.493","0.018","11.74","0.018","90","","115.85","0.03","90","","1590","4","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","","0.71073","MoKα","","0.1091","0.0703","","","0.1797","0.208","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515158","12.22","0.004","12.058","0.003","12.183","0.004","90","","118.155","0.004","90","","1582.7","0.8","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O S -","- C18 H19 N O S -","- C72 H76 N4 O4 S4 -","4","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","","0.71073","MoKα","","0.053","0.0422","","","0.1227","0.13","","","","","","1.076","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515159","16.2066","0.0006","9.4121","0.0004","22.5224","0.0009","90","","90","","90","","3435.5","0.2","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N O2 S2 -","- C17 H19 N O2 S2 -","- C136 H152 N8 O16 S16 -","8","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","","0.71073","MoKα","","0.0884","0.0704","","","0.149","0.1572","","","","","","1.211","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515160","9.2098","0.0016","10.1883","0.0018","18.326","0.004","90","","90","","90","","1719.6","0.6","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","","0.71073","MoKα","","0.048","0.0401","","","0.1097","0.1207","","","","","","1.233","","","","has coordinates","220262","2020-10-21","18:00:00",""
"4515161","15.89","0.003","15.537","0.003","28.947","0.006","90","","93.24","0.03","90","","7135","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C4.61 H3.66 F0.41 N0.54 O0.68 Ru0.14 S0.14 -","- C4.61017 H3.66102 F0.40678 N0.542373 O0.677966 Ru0.135593 S0.135593 -","- C272 H216 F24 N32 O40 Ru8 S8 -","59","14.75","","Singh, Jatinder; Park, Dae Won; Kim, Dong Hwan; Singh, Nem; Kang, Se Chan; Chi, Ki-Whan","Coordination-Driven Self-Assembly of Triazole-Based Apoptosis-Inducible Metallomacrocycles.","ACS omega","2019","4","6","10810","10817","10.1021/acsomega.9b00093","","","0.71073","MoKα","","0.1151","0.1057","","","0.3053","0.3172","","","","","","1.404","","","","has coordinates","220263","2020-10-21","18:00:00",""
"4515162","11.716","0.0006","12.8272","0.0007","13.7268","0.0007","90","","91.441","0.004","90","","2062.26","0.19","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Copper(II) Calcium(II) dimethoxysalen","","- C18 H18 Ca Cu N4 O10 -","- C18 H18 Ca Cu N4 O10 -","- C72 H72 Ca4 Cu4 N16 O40 -","4","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.0742","0.0425","","","0.1007","0.1099","","","","","","0.906","","","","has coordinates","220264","2020-10-21","18:00:00",""
"4515163","11.6329","0.0005","16.1304","0.0007","23.2105","0.0011","79.04","0.004","87.041","0.004","89.654","0.004","4270.1","0.3","200","","200","","","","","","","","","6","P -1","-P 1","2","","Copper(II) Barium(II) dimethoxysalen","","- C36 H36 Ba Cu2 N6 O14 -","- C36 H36 Ba Cu2 N6 O14 -","- C144 H144 Ba4 Cu8 N24 O56 -","4","2","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.0898","0.0495","","","0.1069","0.1201","","","","","","0.929","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515164","22.5345","0.0008","8.6074","0.0003","11.1107","0.0004","90","","90","","90","","2155.07","0.13","200","","200","","","","","","","","","6","P n a 21","P 2c -2n","33","","Nickel(II) Strontium(II) dimethoxysalen","","- C18 H20 N4 Ni O11 Sr -","- C18 H20 N4 Ni O11 Sr -","- C72 H80 N16 Ni4 O44 Sr4 -","4","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.0285","0.0235","","","0.0506","0.052","","","","","","0.99","","","","has coordinates","220266","2020-10-21","18:00:00",""
"4515165","7.6984","0.0009","10.9592","0.0011","12.8941","0.0014","90.486","0.009","97.941","0.009","111.744","0.008","998.7","0.2","250","","250","","","","","","","","","6","P -1","-P 1","2","","Copper(II) Magnesium(II) dimethoxysalen","","- C18 H18 Cu Mg N4 O10 -","- C18 H18 Cu Mg N4 O10 -","- C36 H36 Cu2 Mg2 N8 O20 -","2","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.1327","0.0922","","","0.223","0.2488","","","","","","0.931","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515166","11.632","0.002","16.114","0.003","23.382","0.006","100.388","0.017","92.814","0.018","90.137","0.016","4305.4","1.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H68 Ba2 N12 Ni4 O28 -","- C72 H68 Ba2 N12 Ni4 O28 -","- C144 H136 Ba4 N24 Ni8 O56 -","2","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.2806","0.0932","","","0.182","0.2628","","","","","","0.874","","","","has coordinates,has disorder","220268","2020-10-21","18:00:00",""
"4515167","8.4758","0.0004","11.105","0.0004","22.9166","0.0011","90","","99.045","0.004","90","","2130.17","0.16","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Nickel(II) Calcium(II) dimethoxysalen","","- C18 H20 Ca N4 Ni O11 -","- C18 H20 Ca N4 Ni O11 -","- C72 H80 Ca4 N16 Ni4 O44 -","4","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.0562","0.0353","","","0.0783","0.0843","","","","","","0.984","","","","has coordinates","220269","2020-10-21","18:00:00",""
"4515168","22.7055","0.0005","8.6682","0.0005","11.1732","0.0014","90","","90","","90","","2199.1","0.3","200","","200","","","","","","","","","6","P n a 21","P 2c -2n","33","","Copper(II) Strontium(II) dimethoxysalen","","- C18 H20 Cu N4 O11 Sr -","- C18 H20 Cu N4 O11 Sr -","- C72 H80 Cu4 N16 O44 Sr4 -","4","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.0662","0.0395","","","0.0826","0.093","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515169","8.2292","0.0008","11.4209","0.0011","11.5013","0.0011","83.169","0.008","84.59","0.008","85.07","0.008","1065.44","0.18","200","","200","","","","","","","","","6","P -1","-P 1","2","Nickel(II) Magnesium(II) dimethoxysalen","Nickel(II) Magnesium(II) dimethoxysalen","","- C18 H20 Mg N4 Ni O11 -","- C18 H20 Mg N4 Ni O11 -","- C36 H40 Mg2 N8 Ni2 O22 -","2","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.0957","0.0644","","","0.1735","0.1934","","","","","","1.101","","","","has coordinates","220271","2020-10-21","18:00:00",""
"4515170","8.9673","0.0002","14.7355","0.0006","15.1832","0.0006","86.374","0.003","84.081","0.003","83.451","0.003","1979.86","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H19 Ag1.5 Cl3 F3 N6 O3 S4 -","- C23 H19 Ag1.5 Cl3 F3 N6 O3 S4 -","- C46 H38 Ag3 Cl6 F6 N12 O6 S8 -","2","1","","Xue, Hui; Cao, Junze; Zhao, Liang; Hao, Haigang; Hong, Maochun","Conformation-Driven Self-Assembly: From a 1D Metal-Organic Polymer to an Infinite Double Nanotube.","ACS omega","2019","4","6","10755","10760","10.1021/acsomega.9b01344","","","1.54184","CuKα","","0.0602","0.0508","","","0.1272","0.1329","","","","","","1.038","","","","has coordinates","220272","2020-10-21","18:00:00",""
"4515171","12.7235","0.0004","16.2023","0.0006","17.4567","0.0007","75.874","0.003","88.149","0.003","70.57","0.003","3286.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H58 Ag3 F7 N14 O12 S8 -","- C44 H36 Ag3 F6 N12 O6 S8 -","- C88 H72 Ag6 F12 N24 O12 S16 -","2","1","","Xue, Hui; Cao, Junze; Zhao, Liang; Hao, Haigang; Hong, Maochun","Conformation-Driven Self-Assembly: From a 1D Metal-Organic Polymer to an Infinite Double Nanotube.","ACS omega","2019","4","6","10755","10760","10.1021/acsomega.9b01344","","","1.54184","CuKα","","0.0713","0.0591","","","0.1467","0.1542","","","","","","0.974","","","","has coordinates","220273","2020-10-21","18:00:00",""
"4515172","24.823","0.005","10.2507","0.0019","11.275","0.002","90","","103.362","0.004","90","","2791.3","0.9","297","2","297","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H15 N -","- C21 H15 N -","- C168 H120 N8 -","8","2","","Liu, Fan; Wu, Fei; Ling, Weidong; Tu, Zongxiao; Zhang, Jianqi; Wei, Zhixiang; Zhu, Linna; Li, Qianqian; Li, Zhen","Facile-Effective Hole-Transporting Materials Based on Dibenzo[a,c]carbazole: The Key Role of Linkage Position to Photovoltaic Performance of Perovskite Solar Cells","ACS Energy Letters","2019","4","10","2514","","10.1021/acsenergylett.9b01539","","","0.71073","MoKα","","0.0559","0.0364","","","0.0846","0.1023","","","","","","1.162","","","","has coordinates","220274","2020-10-21","18:00:00",""
"4515173","14.6247","0.0003","14.6247","0.0003","30.1473","0.0006","90","","90","","120","","5584.1","0.2","110","","110","","","","","","","","","6","P 63","P 6c","173","","","","- C81 H180 Cl19 N9 Pb3 Zn2 -","- C81 H180 Cl19 N9 Pb3 Zn2 -","- C162 H360 Cl38 N18 Pb6 Zn4 -","2","0.333333","","Zhou, Chenkun; Lin, Haoran; Neu, Jennifer; Zhou, Yan; Chaaban, Maya; Lee, Sujin; Worku, Michael; Chen, Banghao; Clark, Ronald; Cheng, Wenhao; Guan, Jingjiao; Djurovich, Peter; Zhang, Dongzhou; Lü, Xujie; Bullock, James; Pak, Chongin; Shatruk, Michael; Du, Mao-Hua; Siegrist, Theo; Ma, Biwu","Green Emitting Single-Crystalline Bulk Assembly of Metal Halide Clusters with Near-Unity Photoluminescence Quantum Efficiency","ACS Energy Letters","2019","4","7","1579","","10.1021/acsenergylett.9b00991","","","0.71073","MoKα","","0.0665","0.0592","","0.0963","0.0936","0.0921","","","","","","0.9966","","","","has coordinates","220275","2020-10-21","18:00:00",""
"4515174","15.6998","0.0003","15.6998","0.0003","8.0618","0.0003","90","","90","","120","","1720.88","0.08","293","","293","","","","","","","","","6","P -6","P -6","174","thiazolium lead iodide","","","- C3 H3 I4.5 N3 Pb1.5 S1.5 -","- C3 H6 I4.5 N3 Pb1.5 S1.5 -","- C12 H24 I18 N12 Pb6 S6 -","4","0.666667","","Gao, Lili; Spanopoulos, Ioannis; Ke, Weijun; Huang, Sheng; Hadar, Ido; Chen, Lin; Li, Xiaolei; Yang, Guanjun; Kanatzidis, Mercouri G.","Improved Environmental Stability and Solar Cell Efficiency of (MA,FA)PbI3 Perovskite Using a Wide-Band-Gap 1D Thiazolium Lead Iodide Capping Layer Strategy","ACS Energy Letters","2019","4","7","1763","","10.1021/acsenergylett.9b00930","","x-ray","0.71073","MoKα","","0.0511","0.0478","","","0.1406","0.1414","","","","4.52","4.52","4.37","","","","has coordinates","220276","2020-10-21","18:00:00",""
"4515175","2.845","0.003","2.845","0.003","17.88","0.016","90","","90","","120","","125.3","0.2","295","2","295","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Co O2 Pd -","- Co3 O6 Pd3 -","- Co3 O6 Pd3 -","1","0.0277778","","Li, Guowei; Khim, Seunghyun; Chang, Celesta S.; Fu, Chenguang; Nandi, Nabhanila; Li, Fan; Yang, Qun; Blake, Graeme R.; Parkin, Stuart; Auffermann, Gudrun; Sun, Yan; Muller, David A.; Mackenzie, Andrew P.; Felser, Claudia","In Situ Modification of a Delafossite-Type PdCoO<sub>2</sub> Bulk Single Crystal for Reversible Hydrogen Sorption and Fast Hydrogen Evolution.","ACS energy letters","2019","4","9","2185","2191","10.1021/acsenergylett.9b01527","","","0.71073","MoKα","","0.0297","0.0297","","","0.0709","0.0709","","","","","","1.299","","","","has coordinates","220277","2020-10-21","18:00:00",""
"4515843","9.277","0.0003","9.4109","0.0004","15.355","0.0007","101.755","0.002","103.438","0.002","106.361","0.002","1197.89","0.09","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 F3 Ir N O3 -","- C22 H23 F3 Ir N O3 -","- C44 H46 F6 Ir2 N2 O6 -","2","1","","Kim, Youyoung; Park, Yoonsu; Chang, Sukbok","Delineating Physical Organic Parameters in Site-Selective C-H Functionalization of Indoles.","ACS central science","2018","4","6","768","775","10.1021/acscentsci.8b00264","","","0.71073","MoKα","","0.0352","0.0264","","","0.0533","0.0554","","","","","","1.013","","","","has coordinates","225943","2020-10-21","18:00:00",""
"4515844","17.1548","0.0008","5.2806","0.0002","18.3203","0.0008","90","","97.2991","0.0019","90","","1646.14","0.12","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O3 S -","- C18 H18 N2 O3 S -","- C72 H72 N8 O12 S4 -","4","1","","Kim, Youyoung; Park, Yoonsu; Chang, Sukbok","Delineating Physical Organic Parameters in Site-Selective C-H Functionalization of Indoles.","ACS central science","2018","4","6","768","775","10.1021/acscentsci.8b00264","","","0.71073","MoKα","","0.0693","0.0454","","","0.1096","0.123","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515845","9.6211","0.0003","10.9933","0.0004","14.575","0.0004","81.373","0.002","79.858","0.002","67.962","0.002","1400.64","0.08","426","2","426","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H30 F3 Ir N2 O5 S -","- C29 H30 F3 Ir N2 O5 S -","- C58 H60 F6 Ir2 N4 O10 S2 -","2","1","","Kim, Youyoung; Park, Yoonsu; Chang, Sukbok","Delineating Physical Organic Parameters in Site-Selective C-H Functionalization of Indoles.","ACS central science","2018","4","6","768","775","10.1021/acscentsci.8b00264","","","0.71073","MoKα","","0.0263","0.0232","","","0.0574","0.0597","","","","","","1.122","","","","has coordinates","225945","2020-10-21","18:00:00",""
"4515846","18.636","0.003","18.636","0.003","8.2243","0.0015","90","","90","","90","","2856.3","0.8","298","2","298.15","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","0.5","","Yang, Hui; Guo, Feng; Lama, Prem; Gao, Wen-Yang; Wu, Hui; Barbour, Leonard J.; Zhou, Wei; Zhang, Jian; Aguila, Briana; Ma, Shengqian","Visualizing Structural Transformation and Guest Binding in a Flexible Metal-Organic Framework under High Pressure and Room Temperature.","ACS central science","2018","4","9","1194","1200","10.1021/acscentsci.8b00378","","","0.71073","MoKα","","0.1009","0.08","","","0.1794","0.1935","","","","","","1.11","","","","has coordinates","225946","2020-10-21","18:00:00",""
"4515847","18.855","0.004","18.855","0.004","8.0473","0.0019","90","","90","","90","","2860.9","1.1","298","2","298.15","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","0.5","","Yang, Hui; Guo, Feng; Lama, Prem; Gao, Wen-Yang; Wu, Hui; Barbour, Leonard J.; Zhou, Wei; Zhang, Jian; Aguila, Briana; Ma, Shengqian","Visualizing Structural Transformation and Guest Binding in a Flexible Metal-Organic Framework under High Pressure and Room Temperature.","ACS central science","2018","4","9","1194","1200","10.1021/acscentsci.8b00378","","","0.71073","MoKα","","0.0472","0.0428","","","0.104","0.1065","","","","","","1.032","","","","has coordinates","225947","2020-10-21","18:00:00",""
"4515848","16.85","0.004","16.855","0.004","7.7979","0.0018","90","","90","","90","","2214.7","0.9","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","1","","Yang, Hui; Guo, Feng; Lama, Prem; Gao, Wen-Yang; Wu, Hui; Barbour, Leonard J.; Zhou, Wei; Zhang, Jian; Aguila, Briana; Ma, Shengqian","Visualizing Structural Transformation and Guest Binding in a Flexible Metal-Organic Framework under High Pressure and Room Temperature.","ACS central science","2018","4","9","1194","1200","10.1021/acscentsci.8b00378","","","0.71073","MoKα","","0.0919","0.0715","","","0.1171","0.1231","","","","","","1.161","","","","has coordinates","225948","2020-10-21","18:00:00",""
"4515849","18.6204","0.0014","18.6204","0.0014","8.2532","0.0006","90","","90","","90","","2861.5","0.4","298","2","298.15","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","0.5","","Yang, Hui; Guo, Feng; Lama, Prem; Gao, Wen-Yang; Wu, Hui; Barbour, Leonard J.; Zhou, Wei; Zhang, Jian; Aguila, Briana; Ma, Shengqian","Visualizing Structural Transformation and Guest Binding in a Flexible Metal-Organic Framework under High Pressure and Room Temperature.","ACS central science","2018","4","9","1194","1200","10.1021/acscentsci.8b00378","","","0.71073","MoKα","","0.0957","0.0856","","","0.1842","0.1935","","","","","","1.195","","","","has coordinates","225949","2020-10-21","18:00:00",""
"4515850","12.026","0.006","12.302","0.006","14.145","0.007","72.461","0.008","79.742","0.008","64.354","0.008","1796","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 B2 Co F8 N10 -","- C25 H24 B2 Co F8 N10 -","- C50 H48 B4 Co2 F16 N20 -","2","1","","Chapovetsky, Alon; Welborn, Matthew; Luna, John M.; Haiges, Ralf; Miller, 3rd, Thomas F; Marinescu, Smaranda C.","Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO<sub>2</sub> Reduction.","ACS central science","2018","4","3","397","404","10.1021/acscentsci.7b00607","","","0.71073","MoKα","","0.1264","0.0868","","","0.2252","0.2609","","","","","","1.046","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515851","10.1224","0.0007","11.5342","0.0008","12.3686","0.0008","84.499","0.005","89.722","0.005","77.529","0.005","1403.33","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Alon091216","","","- C26 H28 B2 Co F8 N8 O -","- C26 H28 B2 Co F8 N8 O -","- C52 H56 B4 Co2 F16 N16 O2 -","2","1","","Chapovetsky, Alon; Welborn, Matthew; Luna, John M.; Haiges, Ralf; Miller, 3rd, Thomas F; Marinescu, Smaranda C.","Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO<sub>2</sub> Reduction.","ACS central science","2018","4","3","397","404","10.1021/acscentsci.7b00607","","","1.54178","CuKα","","0.0858","0.0698","","","0.1861","0.1986","","","","","","1.043","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515852","10.09","0.005","11.516","0.005","12.743","0.006","83.756","0.006","87.48","0.006","77.894","0.006","1438.8","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Alon92116","","","- C24 H23 B2 Co F8 N9 -","- C24 H23 B2 Co F8 N9 -","- C48 H46 B4 Co2 F16 N18 -","2","1","","Chapovetsky, Alon; Welborn, Matthew; Luna, John M.; Haiges, Ralf; Miller, 3rd, Thomas F; Marinescu, Smaranda C.","Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO<sub>2</sub> Reduction.","ACS central science","2018","4","3","397","404","10.1021/acscentsci.7b00607","","","0.71073","MoKα","","0.0664","0.0563","","","0.1545","0.1636","","","","","","1.035","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515853","11.1267","0.0014","11.9052","0.0015","12.2051","0.0016","106.688","0.008","101.505","0.008","100.107","0.008","1470.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Alon082916","","","- C25 H30 B2 Co F8 N8 O3 -","- C25 H30 B2 Co F8 N8 O3 -","- C50 H60 B4 Co2 F16 N16 O6 -","2","1","","Chapovetsky, Alon; Welborn, Matthew; Luna, John M.; Haiges, Ralf; Miller, 3rd, Thomas F; Marinescu, Smaranda C.","Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO<sub>2</sub> Reduction.","ACS central science","2018","4","3","397","404","10.1021/acscentsci.7b00607","","","1.54178","CuKα","","0.202","0.0894","","","0.2097","0.2724","","","","","","1.005","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4516201","8.235","0.002","8.12","0.002","27.528","0.007","90","","90","","90","","1840.7","0.8","100","2","99.94","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 Br2 N Pb0.5 -","- C4 H12 Br2 N Pb0.5 -","- C32 H96 Br16 N8 Pb4 -","8","1","","Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan","Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals","ACS Energy Letters","2018","4","1","343","","10.1021/acsenergylett.8b02349","","","0.71073","MoKα","","0.0879","0.0807","","","0.2058","0.2093","","","","","","1.247","","","","has coordinates","226188","2020-10-21","18:00:00",""
"4516202","27.783","0.006","7.951","0.002","7.7627","0.0017","90","","90","","90","","1714.8","0.7","100","2","99.97","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C4 H12 Cl2 N Pb0.5 -","- C4 H12 Cl2 N Pb0.5 -","- C32 H96 Cl16 N8 Pb4 -","8","1","","Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan","Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals","ACS Energy Letters","2018","4","1","343","","10.1021/acsenergylett.8b02349","","","0.71073","MoKα","","0.0397","0.0392","","","0.0988","0.0993","","","","","","1.076","","","","has coordinates","226189","2020-10-21","18:00:00",""
"4516203","8.477","0.004","9.052","0.004","26.186","0.011","90","","90","","90","","2009.4","1.5","109","2","109.05","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 I2 N Pb0.5 -","- C4 H12 I2 N Pb0.5 -","- C32 H96 I16 N8 Pb4 -","8","1","","Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan","Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals","ACS Energy Letters","2018","4","1","343","","10.1021/acsenergylett.8b02349","","","0.71073","MoKα","","0.1003","0.0789","","","0.1962","0.2066","","","","","","1.121","","","","has coordinates","226190","2020-10-21","18:00:00",""
"4516204","8.2451","0.0007","8.1375","0.0007","27.463","0.003","90","","90","","90","","1842.6","0.3","116","2","116.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 Br2 N Pb0.5 -","- C4 H12 Br2 N Pb0.5 -","- C32 H96 Br16 N8 Pb4 -","8","1","","Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan","Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals","ACS Energy Letters","2018","4","1","343","","10.1021/acsenergylett.8b02349","","","0.71073","MoKα","","0.054","0.0446","","","0.1232","0.1286","","","","","","1.233","","","","has coordinates","226191","2020-10-21","18:00:00",""
"4516205","8.396","0.003","8.966","0.003","26.188","0.008","90","","90","","90","","1971.4","1.1","100","2","100.09","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 I2 N Pb0.5 -","- C4 H12 I2 N Pb0.5 -","- C32 H96 I16 N8 Pb4 -","8","1","","Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan","Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals","ACS Energy Letters","2018","4","1","343","","10.1021/acsenergylett.8b02349","","","0.71073","MoKα","","0.125","0.1123","","","0.2858","0.2913","","","","","","1.397","","","","has coordinates","226192","2020-10-21","18:00:00",""
"4516206","8.3804","0.0007","13.5963","0.0011","23.1525","0.0019","90","","93.843","0.001","90","","2632.1","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 I6 N2 Te -","- C14 I6 N2 Te -","- C56 I24 N8 Te4 -","4","1","","Ju, Dianxing; Zheng, Xiaopeng; Yin, Jun; Qiu, Zhiwen; Türedi, Bekir; Liu, Xiaolong; Dang, Yangyang; Cao, Bingqiang; Mohammed, Omar F.; Bakr, Osman M.; Tao, Xutang","Tellurium-Based Double Perovskites A2TeX6 with Tunable Band Gap and Long Carrier Diffusion Length for Optoelectronic Applications","ACS Energy Letters","2018","4","1","228","","10.1021/acsenergylett.8b02113","","","0.71073","MoKα","","0.0432","0.03","","","0.067","0.0709","","","","","","1.06","","","","has coordinates","226193","2020-10-21","18:00:00",""
"4516207","11.445","0.008","11.445","0.008","11.445","0.008","90","","90","","90","","1499.2","1.8","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C4 H24 Br12 N4 Te2 -","- Br12 N12 Te2 -","- Br24 N24 Te4 -","2","0.0104167","","Ju, Dianxing; Zheng, Xiaopeng; Yin, Jun; Qiu, Zhiwen; Türedi, Bekir; Liu, Xiaolong; Dang, Yangyang; Cao, Bingqiang; Mohammed, Omar F.; Bakr, Osman M.; Tao, Xutang","Tellurium-Based Double Perovskites A2TeX6 with Tunable Band Gap and Long Carrier Diffusion Length for Optoelectronic Applications","ACS Energy Letters","2018","4","1","228","","10.1021/acsenergylett.8b02113","","","0.71073","MoKα","","0.0451","0.0367","","","0.1292","0.1464","","","","","","1.095","","","","has coordinates","226194","2020-10-21","18:00:00",""
"4516208","10.744","0.009","10.744","0.009","10.744","0.009","90","","90","","90","","1240.2","1.8","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C H10 Br6 N2 Te -","- C2 Br6 Te -","- C8 Br24 Te4 -","4","0.0208333","","Ju, Dianxing; Zheng, Xiaopeng; Yin, Jun; Qiu, Zhiwen; Türedi, Bekir; Liu, Xiaolong; Dang, Yangyang; Cao, Bingqiang; Mohammed, Omar F.; Bakr, Osman M.; Tao, Xutang","Tellurium-Based Double Perovskites A2TeX6 with Tunable Band Gap and Long Carrier Diffusion Length for Optoelectronic Applications","ACS Energy Letters","2018","4","1","228","","10.1021/acsenergylett.8b02113","","","0.71073","MoKα","","0.0215","0.0205","","","0.059","0.0592","","","","","","1.076","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4516209","12","0.004","12","0.004","12","0.004","90","","90","","90","","1728","1","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C H6 I6 N Te -","- I6 N2 Te -","- I24 N8 Te4 -","4","0.0208333","","Ju, Dianxing; Zheng, Xiaopeng; Yin, Jun; Qiu, Zhiwen; Türedi, Bekir; Liu, Xiaolong; Dang, Yangyang; Cao, Bingqiang; Mohammed, Omar F.; Bakr, Osman M.; Tao, Xutang","Tellurium-Based Double Perovskites A2TeX6 with Tunable Band Gap and Long Carrier Diffusion Length for Optoelectronic Applications","ACS Energy Letters","2018","4","1","228","","10.1021/acsenergylett.8b02113","","","0.71073","MoKα","","0.0252","0.0249","","","0.1148","0.1157","","","","","","1.119","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4516210","12.307","0.004","12.307","0.004","12.307","0.004","90","","90","","90","","1864","1","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C H10 I6 N2 Te -","- I6 N2 Te -","- I24 N8 Te4 -","4","0.0208333","","Ju, Dianxing; Zheng, Xiaopeng; Yin, Jun; Qiu, Zhiwen; Türedi, Bekir; Liu, Xiaolong; Dang, Yangyang; Cao, Bingqiang; Mohammed, Omar F.; Bakr, Osman M.; Tao, Xutang","Tellurium-Based Double Perovskites A2TeX6 with Tunable Band Gap and Long Carrier Diffusion Length for Optoelectronic Applications","ACS Energy Letters","2018","4","1","228","","10.1021/acsenergylett.8b02113","","","0.71073","MoKα","","0.0608","0.048","","","0.153","0.1766","","","","","","1.14","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4516790","24.26","0.004","24.26","0.004","24.26","0.004","90","","90","","90","","14278","4","100","","100","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C48 H72 N8 O44 Ti8 Zr2 -","- C48 H72 N8 O44 Ti8 Zr2 -","- C288 H432 N48 O264 Ti48 Zr12 -","6","0.0625","","Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai","[Ti<sub>8</sub>Zr<sub>2</sub>O<sub>12</sub>(COO)<sub>16</sub>] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks.","ACS central science","2018","4","1","105","111","10.1021/acscentsci.7b00497","","","0.71073","MoKα","","0.0219","0.0187","","","0.0519","0.0535","","","","","","1.141","","","","has coordinates,has disorder","239542","2020-10-21","18:00:00",""
"4516791","12.064","0.003","13.543","0.003","13.806","0.003","104.331","0.003","109.519","0.003","110.62","0.003","1811.3","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H80 O44 Ti8 Zr2 -","- C48 H80 O44 Ti8 Zr2 -","- C48 H80 O44 Ti8 Zr2 -","1","0.5","","Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai","[Ti<sub>8</sub>Zr<sub>2</sub>O<sub>12</sub>(COO)<sub>16</sub>] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks.","ACS central science","2018","4","1","105","111","10.1021/acscentsci.7b00497","","","0.71073","MoKα","","0.0667","0.0425","","","0.0888","0.0998","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516792","14.896","0.004","24.07","0.006","15.304","0.004","90","","91.287","0.004","90","","5486","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H80 O44 Ti8 Zr2 -","- C112 H80 O44 Ti8 Zr2 -","- C224 H160 O88 Ti16 Zr4 -","2","0.5","","Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai","[Ti<sub>8</sub>Zr<sub>2</sub>O<sub>12</sub>(COO)<sub>16</sub>] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks.","ACS central science","2018","4","1","105","111","10.1021/acscentsci.7b00497","","","0.71073","MoKα","","0.0773","0.0475","","","0.0987","0.1108","","","","","","1.025","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4516793","32.89","0.007","32.89","0.007","73.485","0.015","90","","90","","120","","68843","3","100","2","100","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C134 H126 N2 O46 Ti8 Zr2 -","- C134 H126 N2 O46 Ti8 Zr2 -","- C2412 H2268 N36 O828 Ti144 Zr36 -","18","0.5","","Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai","[Ti<sub>8</sub>Zr<sub>2</sub>O<sub>12</sub>(COO)<sub>16</sub>] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks.","ACS central science","2018","4","1","105","111","10.1021/acscentsci.7b00497","","","0.71073","MoKα","","0.129","0.0587","","","0.1409","0.1827","","","","","","1.006","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516794","15.818","0.012","35.48","0.03","18.356","0.014","90","","108.901","0.012","90","","9746","13","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C176 H208 O44 Ti8 Zr2 -","- C176 H208 O44 Ti8 Zr2 -","- C352 H416 O88 Ti16 Zr4 -","2","1","","Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai","[Ti<sub>8</sub>Zr<sub>2</sub>O<sub>12</sub>(COO)<sub>16</sub>] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks.","ACS central science","2018","4","1","105","111","10.1021/acscentsci.7b00497","","","0.71073","MoKα","","0.3539","0.1501","","","0.335","0.4523","","","","","","0.968","","","","has coordinates","239542","2020-10-21","18:00:00",""
"4516798","23.6556","0.001","6.5523","0.0002","18.1925","0.0007","90","","123.699","0.003","90","","2345.98","0.17","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H35 N O6 Si -","- C22 H35 N O6 Si -","- C88 H140 N4 O24 Si4 -","4","1","","Tomoshige, Shusuke; Dik, David A.; Akabane-Nakata, Masaaki; Madukoma, Chinedu S.; Fisher, Jed F.; Shrout, Joshua D.; Mobashery, Shahriar","Total Syntheses of Bulgecins A, B, and C and Their Bactericidal Potentiation of the β-Lactam Antibiotics.","ACS infectious diseases","2018","4","6","860","867","10.1021/acsinfecdis.8b00105","","","1.54184","CuKα","","0.0453","0.0449","","","0.1311","0.1319","","","","","","1.033","","","","has coordinates,has disorder","239546","2020-10-21","18:00:00",""
"4516799","19.66","0.0008","12.3532","0.0005","21.83","0.0009","90","","97.852","0.003","90","","5252","0.4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H34 N Ni O3 P S -","- C27 H34 N Ni O3 P S -","- C216 H272 N8 Ni8 O24 P8 S8 -","8","1","","Shu, Dongxu; Mouat, Aidan R.; Stephenson, Casey J.; Invergo, Anna M.; Delferro, Massimiliano; Marks, Tobin J.","Ligand-Unsymmetrical Phenoxyiminato Dinickel Catalyst for High Molecular Weight Long-Chain Branched Polyethylenes","ACS Macro Letters","2015","4","11","1297","","10.1021/acsmacrolett.5b00781","","","1.54184","CuKα","","0.0405","0.0368","","","0.1038","0.1075","","","","","","1.083","","","","has coordinates","239547","2020-10-21","18:00:00",""
"4516800","20.2492","0.0005","8.0522","0.0002","31.5344","0.0006","90","","90","","90","","5141.7","0.2","100","","100.04","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(SO2)-FI2-OMe2","","- C28 H25 N O5 S -","- C30 H31 N O6 S -","- C240 H248 N8 O48 S8 -","8","1","","Shu, Dongxu; Mouat, Aidan R.; Stephenson, Casey J.; Invergo, Anna M.; Delferro, Massimiliano; Marks, Tobin J.","Ligand-Unsymmetrical Phenoxyiminato Dinickel Catalyst for High Molecular Weight Long-Chain Branched Polyethylenes","ACS Macro Letters","2015","4","11","1297","","10.1021/acsmacrolett.5b00781","","","1.54178","CuKα","","0.045","0.0412","","","0.1016","0.104","","","","","","1.105","","","","has coordinates","239549","2020-10-21","18:00:00",""
"4516801","14.3837","0.0007","20.8951","0.0009","34.7537","0.0016","93.299","0.002","100.959","0.003","99.89","0.002","10058.3","0.8","100","","99.99","","","","","","","","","8","P -1","-P 1","2","","FI2-CF3SO2-Ni2","","- C60 H60.6667 F12 N2 Ni2 O4 P2 S -","- C60 H60.3333 F12 N2 Ni2 O4 P2 S -","- C360 H362 F72 N12 Ni12 O24 P12 S6 -","6","3","","Shu, Dongxu; Mouat, Aidan R.; Stephenson, Casey J.; Invergo, Anna M.; Delferro, Massimiliano; Marks, Tobin J.","Ligand-Unsymmetrical Phenoxyiminato Dinickel Catalyst for High Molecular Weight Long-Chain Branched Polyethylenes","ACS Macro Letters","2015","4","11","1297","","10.1021/acsmacrolett.5b00781","","x-ray","1.54178","CuKα","","0.1336","0.1077","","","0.3238","0.3486","","","","","","1.337","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4516802","8.1727","0.0003","15.1478","0.0005","20.3994","0.0007","86.808","0.002","78.729","0.002","74.828","0.001","2390.35","0.15","100","","99.99","","","","","","","","","6","P -1","-P 1","2","","(CF3,SO2)FI-Ni2","","- C50 H34 F12 N2 O4 S -","- C50 H34 F12 N2 O4 S -","- C100 H68 F24 N4 O8 S2 -","2","1","","Shu, Dongxu; Mouat, Aidan R.; Stephenson, Casey J.; Invergo, Anna M.; Delferro, Massimiliano; Marks, Tobin J.","Ligand-Unsymmetrical Phenoxyiminato Dinickel Catalyst for High Molecular Weight Long-Chain Branched Polyethylenes","ACS Macro Letters","2015","4","11","1297","","10.1021/acsmacrolett.5b00781","","","0.71073","MoKα","","0.1495","0.0997","","","0.3008","0.3207","","","","","","1.107","","","","has coordinates,has disorder","239551","2020-10-21","18:00:00",""
"4516803","11.6834","0.0004","14.3669","0.0005","18.298","0.0005","90.487","0.002","98.374","0.002","107.462","0.002","2894.18","0.17","100","","99.99","","","","","","","","","7","P -1","-P 1","2","","Ni2-FI(SO2)","","- C52 H64 N2 Ni2 O6 P2 S2 -","- C52 H64 N2 Ni2 O6 P2 S2 -","- C104 H128 N4 Ni4 O12 P4 S4 -","2","1","","Shu, Dongxu; Mouat, Aidan R.; Stephenson, Casey J.; Invergo, Anna M.; Delferro, Massimiliano; Marks, Tobin J.","Ligand-Unsymmetrical Phenoxyiminato Dinickel Catalyst for High Molecular Weight Long-Chain Branched Polyethylenes","ACS Macro Letters","2015","4","11","1297","","10.1021/acsmacrolett.5b00781","","","1.54178","CuKα","","0.0472","0.0407","","","0.1157","0.1217","","","","","","1.076","","","","has coordinates,has disorder","239552","2020-10-21","18:00:00",""
"4516957","14.698","0.006","19.777","0.008","15.179","0.006","90","","96.467","0.004","90","","4384","3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H48 Cl2 N5 O14 -","- C41 H48 Cl2 N5 O14 -","- C164 H192 Cl8 N20 O56 -","4","1","","Das, Sujoy; Rissanen, Kari; Sahoo, Prithidipa","Rare Crystal Structure of Open Spirolactam Ring along with the Closed-Ring Form of a Rhodamine Derivative: Sensing of Cu<sup>2+</sup> Ions from Spinach.","ACS omega","2019","4","3","5270","5274","10.1021/acsomega.9b00053","","","0.71073","MoKα","","0.1428","0.0786","","","0.2088","0.2764","","","","","","1.05","","","","has coordinates,has disorder","239652","2020-10-21","18:00:00",""
"4516958","11.256","0.003","11.921","0.003","15.208","0.004","69.231","0.013","71.022","0.011","73.095","0.011","1768.4","0.8","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H43 N5 O4 -","- C41 H43 N5 O4 -","- C82 H86 N10 O8 -","2","1","","Das, Sujoy; Rissanen, Kari; Sahoo, Prithidipa","Rare Crystal Structure of Open Spirolactam Ring along with the Closed-Ring Form of a Rhodamine Derivative: Sensing of Cu<sup>2+</sup> Ions from Spinach.","ACS omega","2019","4","3","5270","5274","10.1021/acsomega.9b00053","","","0.71073","MoKα","","0.1571","0.1276","","","0.3169","0.3579","","","","","","1.148","","","","has coordinates,has disorder","239653","2020-10-21","18:00:00",""
"4516959","21.5201","0.0009","10.55","0.0005","19.5452","0.0008","90","","117.251","0.002","90","","3945","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 Mn2 N2 O12 -","- C42 H38 Mn2 N2 O12 -","- C168 H152 Mn8 N8 O48 -","4","0.5","","Kundu, Arunangshu; Saikia, Swagata; Majumder, Manoj; Sengupta, Oindrila; Bhattacharya, Biswajit; De, Gobinda Chandra; Ghosh, Sushobhan","New Set of Multicomponent Crystals as Efficient Heterogeneous Catalysts for the Synthesis of Cyclic Carbonates.","ACS omega","2019","4","3","5221","5232","10.1021/acsomega.9b00101","","","0.71073","MoKα","","0.0655","0.0416","","","0.1114","0.1242","","","","","","1.041","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516960","21.55","0.002","10.5223","0.0008","19.2508","0.0016","90","","116.538","0.009","90","","3905.3","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 Co2 N2 O12 -","- C42 H38 Co2 N2 O12 -","- C168 H152 Co8 N8 O48 -","4","0.5","","Kundu, Arunangshu; Saikia, Swagata; Majumder, Manoj; Sengupta, Oindrila; Bhattacharya, Biswajit; De, Gobinda Chandra; Ghosh, Sushobhan","New Set of Multicomponent Crystals as Efficient Heterogeneous Catalysts for the Synthesis of Cyclic Carbonates.","ACS omega","2019","4","3","5221","5232","10.1021/acsomega.9b00101","","","0.71073","MoKα","","0.1624","0.1031","","","0.248","0.2843","","","","","","1.081","","","","has coordinates","239655","2020-10-21","18:00:00",""
"4516961","21.5019","0.0011","10.4986","0.0005","19.2899","0.0011","90","","116.769","0.004","90","","3887.8","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 N2 O12 Zn2 -","- C42 H38 N2 O12 Zn2 -","- C168 H152 N8 O48 Zn8 -","4","0.5","","Kundu, Arunangshu; Saikia, Swagata; Majumder, Manoj; Sengupta, Oindrila; Bhattacharya, Biswajit; De, Gobinda Chandra; Ghosh, Sushobhan","New Set of Multicomponent Crystals as Efficient Heterogeneous Catalysts for the Synthesis of Cyclic Carbonates.","ACS omega","2019","4","3","5221","5232","10.1021/acsomega.9b00101","","","0.71073","MoKα","","0.0542","0.039","","","0.1014","0.1142","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516962","14.7048","0.0011","5.6391","0.0004","21.9019","0.0016","90","","90","","90","","1816.1","0.2","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C80 H80 O32 -","8","2","","Kundu, Arunangshu; Saikia, Swagata; Majumder, Manoj; Sengupta, Oindrila; Bhattacharya, Biswajit; De, Gobinda Chandra; Ghosh, Sushobhan","New Set of Multicomponent Crystals as Efficient Heterogeneous Catalysts for the Synthesis of Cyclic Carbonates.","ACS omega","2019","4","3","5221","5232","10.1021/acsomega.9b00101","","","0.71073","MoKα","","0.0748","0.0574","","","0.1499","0.1683","","","","","","1.065","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516963","9.8243","0.0008","10.0464","0.0008","17.8772","0.0017","79.023","0.008","85.859","0.008","63.135","0.005","1545","0.2","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H42 Cl2 N O Si2 V -","- C26 H42 Cl2 N O Si2 V -","- C52 H84 Cl4 N2 O2 Si4 V2 -","2","1","","Hayashibara, Hitomi; Ngamnithiporn, Aurapat; Nomura, Kotohiro","Reactions of (Arylimido)vanadium(V)-Trialkyl Complexes with Phenols: Effects of Arylimido Ligands and Phenols for Formation of the Vanadium Phenoxides.","ACS omega","2019","4","3","5818","5828","10.1021/acsomega.9b00531","","","0.71075","MoKα","","0.0385","0.0344","","","0.1098","0.1266","","","","","","1.224","","","","has coordinates","239658","2020-10-21","18:00:00",""
"4516964","20.565","0.003","7.6846","0.001","14.6916","0.0019","90","","130.5","0.002","90","","1765.5","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C H N O Zn -","- C2.4 H1.6 N3.2 Zn0.4 -","- C48 H32 N64 Zn8 -","20","2.5","","Chi-Durán, Ignacio; Enríquez, Javier; Manquián, Carolina; Fritz, Rubén Alejandro; Vega, Andrés; Serafini, Daniel; Herrera, Felipe; Singh, Dinesh Pratap","Azide-Based High-Energy Metal-Organic Frameworks with Enhanced Thermal Stability.","ACS omega","2019","4","11","14398","14403","10.1021/acsomega.9b01127","","","0.71073","MoKα","","0.0484","0.0469","","","0.1138","0.1148","","","","","","1.101","","","","has coordinates","239659","2020-10-21","18:00:00",""
"4516965","10.2684","0.0002","24.0869","0.0006","11.3063","0.0003","90","","90.394","0.002","90","","2796.37","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H68 Cl4 N5 O8 -","- C58 H63 Cl4 N5 O8 -","- C116 H126 Cl8 N10 O16 -","2","1","","Debnath, Mintu; Sasmal, Supriya; Podder, Debasish; Haldar, Debasish","Pentapeptide Nanoreactor as a Platform for Halogenations, Diels-Alder Reaction, and Morita-Baylis-Hillman Reaction.","ACS omega","2019","4","9","13872","13878","10.1021/acsomega.9b01393","","x-ray","0.71073","MoKα","","0.0408","0.0368","","","0.1072","0.1132","","","","","","0.837","","","","has coordinates","239660","2020-10-21","18:00:00",""
"4516966","10.719","0.0003","22.6325","0.0006","11.0891","0.0003","90","","91.415","0.002","90","","2689.37","0.13","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H69 N7 O8 -","- C58 H69 N7 O8 -","- C116 H138 N14 O16 -","2","1","","Debnath, Mintu; Sasmal, Supriya; Podder, Debasish; Haldar, Debasish","Pentapeptide Nanoreactor as a Platform for Halogenations, Diels-Alder Reaction, and Morita-Baylis-Hillman Reaction.","ACS omega","2019","4","9","13872","13878","10.1021/acsomega.9b01393","","x-ray","0.71073","MoKα","","0.0444","0.0413","","","0.0986","0.1007","","","","","","1.066","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516967","11.002","0.003","13.517","0.004","13.733","0.004","90","","90.081","0.004","90","","2042.3","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O4 S2 -","- C19 H20 N4 O4 S2 -","- C76 H80 N16 O16 S8 -","4","1","","Singh, Munendra Pal; Baruah, Jubaraj B.","Combinations of Tautomeric Forms and Neutral-Cationic Forms in the Cocrystals of Sulfamethazine with Carboxylic Acids.","ACS omega","2019","4","7","11609","11620","10.1021/acsomega.9b01437","","","0.71073","MoKα","","0.0684","0.0585","","","0.1708","0.1816","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516968","8.1221","0.0008","22.8639","0.0013","13.0456","0.0011","90","","106.673","0.009","90","","2320.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N5 O7 S -","- C20 H23 N5 O7 S -","- C80 H92 N20 O28 S4 -","4","1","","Singh, Munendra Pal; Baruah, Jubaraj B.","Combinations of Tautomeric Forms and Neutral-Cationic Forms in the Cocrystals of Sulfamethazine with Carboxylic Acids.","ACS omega","2019","4","7","11609","11620","10.1021/acsomega.9b01437","","","0.71073","MoKα","","0.1294","0.0828","","","0.1258","0.141","","","","","","1.091","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516969","9.3634","0.0012","29.19","0.004","9.6803","0.0012","90","","102.118","0.002","90","","2586.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 N6 O6 S -","- C25 H26 N6 O6 S -","- C100 H104 N24 O24 S4 -","4","1","","Singh, Munendra Pal; Baruah, Jubaraj B.","Combinations of Tautomeric Forms and Neutral-Cationic Forms in the Cocrystals of Sulfamethazine with Carboxylic Acids.","ACS omega","2019","4","7","11609","11620","10.1021/acsomega.9b01437","","","0.71073","MoKα","","0.0728","0.0523","","","0.1498","0.1664","","","","","","1.02","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516970","13.4476","0.0016","18.841","0.002","18.531","0.002","90","","99.115","0.004","90","","4635.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N4 O6 S -","- C21 H26 N4 O6 S -","- C168 H208 N32 O48 S8 -","8","2","","Singh, Munendra Pal; Baruah, Jubaraj B.","Combinations of Tautomeric Forms and Neutral-Cationic Forms in the Cocrystals of Sulfamethazine with Carboxylic Acids.","ACS omega","2019","4","7","11609","11620","10.1021/acsomega.9b01437","","","0.71073","MoKα","","0.1004","0.0625","","","0.1599","0.1904","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516971","19.5803","0.0008","14.339","0.0007","18.2135","0.0007","90","","90.225","0.003","90","","5113.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 N8 O10 S2 -","- C50 H52 N8 O10 S2 -","- C200 H208 N32 O40 S8 -","4","1","","Singh, Munendra Pal; Baruah, Jubaraj B.","Combinations of Tautomeric Forms and Neutral-Cationic Forms in the Cocrystals of Sulfamethazine with Carboxylic Acids.","ACS omega","2019","4","7","11609","11620","10.1021/acsomega.9b01437","","","0.71073","MoKα","","0.1102","0.0775","","","0.1482","0.1633","","","","","","1.177","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516972","11.88223","0.00007","15.04355","0.0001","15.39444","0.00008","90","","90.6397","0.0005","90","","2751.6","0.03","99.9","0.9","99.9","0.9","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Ir N2 O6 -","- C33 H27 Ir N2 O6 -","- C132 H108 Ir4 N8 O24 -","4","0.5","","Kim, Taemin; Hong, Jong-In","Photoluminescence and Electrochemiluminescence Dual-Signaling Sensors for Selective Detection of Cysteine Based on Iridium(III) Complexes.","ACS omega","2019","4","7","12616","12625","10.1021/acsomega.9b01501","","x-ray","1.54184","CuKα","","0.0153","0.015","","","0.0384","0.0385","","","","","","1.089","","","","has coordinates","239663","2020-10-21","18:00:00",""
"4516973","11.7689","0.0003","11.6234","0.0003","13.7556","0.0004","90","","100.235","0.002","90","","1851.75","0.09","293","2","293","2","","","","","","","synthesized","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N3 O5 -","- C20 H21 N3 O5 -","- C80 H84 N12 O20 -","4","1","","Saigal, ?; Irfan, Mohammad; Khan, Parvez; Abid, Mohammad; Khan, Md Musawwer","Design, Synthesis, and Biological Evaluation of Novel Fused Spiro-4<i>H</i>-Pyran Derivatives as Bacterial Biofilm Disruptor.","ACS omega","2019","4","16","16794","16807","10.1021/acsomega.9b01571","","x-ray","0.71073","MoKα","","0.0521","0.0443","","","0.1241","0.1304","","","","","","1.08","","","","has coordinates","239664","2020-10-21","18:00:00",""
"4516974","24.0794","0.001","4.5338","0.0002","19.1155","0.0007","90","","92.32","0.003","90","","2085.15","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N6 O -","- C24 H22 N6 O -","- C96 H88 N24 O4 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","Sustainable Synthetic Approach for (Pyrazol-4-ylidene)pyridines By Metal Catalyst-Free Aerobic C(sp<sup>2</sup>)-C(sp<sup>3</sup>) Coupling Reactions between 1-Amino-2-imino-pyridines and 1-Aryl-5-pyrazolones.","ACS omega","2019","4","7","11701","11711","10.1021/acsomega.9b01650","","","1.54178","CuKα","","0.0868","0.0499","","","0.1215","0.1461","","","","","","1.01","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516975","17.612","0.013","7.593","0.006","15.88","0.012","90","","109.057","0.009","90","","2007","3","293","","293","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C22 H18 Br N6 O1.5 -","- C22 H18 Br N6 O1.5 -","- C88 H72 Br4 N24 O6 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","Sustainable Synthetic Approach for (Pyrazol-4-ylidene)pyridines By Metal Catalyst-Free Aerobic C(sp<sup>2</sup>)-C(sp<sup>3</sup>) Coupling Reactions between 1-Amino-2-imino-pyridines and 1-Aryl-5-pyrazolones.","ACS omega","2019","4","7","11701","11711","10.1021/acsomega.9b01650","","","0.71075","MoKα","","","0.0694","","","","0.2197","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516976","12.8334","0.0015","18.935","0.002","21.972","0.002","66.153","0.004","86.673","0.004","89.451","0.004","4874.6","0.9","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H57 N5 Si4 Y -","- C53 H57 N5 Si4 Y -","- C212 H228 N20 Si16 Y4 -","4","2","","Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor","Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization.","ACS omega","2019","4","14","15879","15892","10.1021/acsomega.9b01788","","","0.71073","MoKα","","0.0854","0.0497","","","0.1291","0.1431","","","","","","1.124","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516977","10.0846","0.0007","10.7246","0.0007","14.7495","0.0011","88.535","0.003","85.525","0.003","72.732","0.003","1518.66","0.19","100","2","100.05","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H40 Al N3 -","- C36 H40 Al N3 -","- C72 H80 Al2 N6 -","2","1","","Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor","Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization.","ACS omega","2019","4","14","15879","15892","10.1021/acsomega.9b01788","","","0.71073","MoKα","","0.1019","0.0622","","","0.1508","0.175","","","","","","1.046","","","","has coordinates","239667","2020-10-21","18:00:00",""
"4516978","11.597","0.005","16.582","0.007","21.396","0.005","96.041","0.006","104.761","0.006","94.927","0.007","3929","3","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H96 N3 O Si4 Y -","- C76 H96 N3 O Si4 Y -","- C152 H192 N6 O2 Si8 Y2 -","2","1","","Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor","Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization.","ACS omega","2019","4","14","15879","15892","10.1021/acsomega.9b01788","","","0.71073","MoKα","","0.0679","0.0499","","","0.1268","0.1367","","","","","","1.02","","","","has coordinates,has disorder","239667","2020-10-21","18:00:00",""
"4516979","12.1287","0.0007","22.4625","0.0013","24.6736","0.0014","90","","90.137","0.003","90","","6722.1","0.7","100","2","100.02","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H78 N5 Si2 Y -","- C80 H78 N5 Si2 Y -","- C320 H312 N20 Si8 Y4 -","4","1","","Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor","Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization.","ACS omega","2019","4","14","15879","15892","10.1021/acsomega.9b01788","","","1.54178","CuKα","","0.0443","0.0421","","","0.1042","0.106","","","","","","1.023","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516980","13.128","0.0006","20.0709","0.0009","16.0162","0.0007","90","","110.871","0.002","90","","3943.2","0.3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 Cl3 N3 Zr -","- C42 H26 Cl3 N3 Zr -","- C168 H104 Cl12 N12 Zr4 -","4","1","","Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor","Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization.","ACS omega","2019","4","14","15879","15892","10.1021/acsomega.9b01788","","","0.71073","MoKα","","0.029","0.0247","","","0.0655","0.0686","","","","","","1.04","","","","has coordinates","239667","2020-10-21","18:00:00",""
"4516981","13.9945","0.001","14.8672","0.0011","17.6684","0.0012","73.736","0.003","87.627","0.003","88.402","0.003","3525.4","0.4","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N6 Ti -","- C38 H48 N6 Ti -","- C152 H192 N24 Ti4 -","4","2","","Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor","Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization.","ACS omega","2019","4","14","15879","15892","10.1021/acsomega.9b01788","","","0.71073","MoKα","","0.0456","0.0344","","","0.0891","0.0933","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516982","9.9856","0.0003","19.6192","0.0005","19.7416","0.0006","90.133","0.002","92.002","0.002","99.276","0.002","3814.54","0.19","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H54 F18 Gd2 N6 O16 S4 -","- C68 H54 F18 Gd2 N6 O16 S4 -","- C136 H108 F36 Gd4 N12 O32 S8 -","2","1","","Fu, Cai-Ye; Chen, Lu; Wang, Xuan; Lin, Li-Rong","Synthesis of Bis-β-Diketonate Lanthanide Complexes with an Azobenzene Bridge and Studies of Their Reversible Photo/Thermal Isomerization Properties.","ACS omega","2019","4","13","15530","15538","10.1021/acsomega.9b01817","","","0.71073","MoKα","","0.0442","0.0351","","","0.0791","0.0836","","","","","","1.037","","","","has coordinates,has disorder","239668","2020-10-21","18:00:00",""
"4516983","9.9699","0.0004","19.6079","0.0008","19.731","0.0008","90.217","0.003","91.986","0.003","99.345","0.003","3803.5","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H54 F18 N6 O16 S4 Tb2 -","- C68 H54 F18 N6 O16 S4 Tb2 -","- C136 H108 F36 N12 O32 S8 Tb4 -","2","1","","Fu, Cai-Ye; Chen, Lu; Wang, Xuan; Lin, Li-Rong","Synthesis of Bis-β-Diketonate Lanthanide Complexes with an Azobenzene Bridge and Studies of Their Reversible Photo/Thermal Isomerization Properties.","ACS omega","2019","4","13","15530","15538","10.1021/acsomega.9b01817","","","0.71073","MoKα","","0.0733","0.0499","","","0.0855","0.0948","","","","","","1.065","","","","has coordinates,has disorder","239669","2020-10-21","18:00:00",""
"4516984","9.9929","0.0002","19.6326","0.0005","19.7711","0.0005","90.085","0.002","91.986","0.002","99.198","0.002","3826.55","0.16","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H54 Eu2 F18 N6 O16 S4 -","- C68 H54 Eu2 F18 N6 O16 S4 -","- C136 H108 Eu4 F36 N12 O32 S8 -","2","1","","Fu, Cai-Ye; Chen, Lu; Wang, Xuan; Lin, Li-Rong","Synthesis of Bis-β-Diketonate Lanthanide Complexes with an Azobenzene Bridge and Studies of Their Reversible Photo/Thermal Isomerization Properties.","ACS omega","2019","4","13","15530","15538","10.1021/acsomega.9b01817","","","0.71073","MoKα","","0.044","0.0355","","","0.0794","0.0833","","","","","","1.038","","","","has coordinates,has disorder","239670","2020-10-21","18:00:00",""
"4516985","9.3998","0.0007","10.5054","0.0008","13.1922","0.0011","96.831","0.002","101.592","0.002","114.954","0.002","1126.16","0.15","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 N4 O10 Tb -","- C22 H15 N4 O10 Tb -","- C44 H30 N8 O20 Tb2 -","2","1","","Zhao, Shenglu; Xiao, Jiannan; Zheng, Tianxiang; Liu, Meiying; Wu, Haonan; Liu, Zhiliang","Highly Selective and Sensitive Detection of PO<sub>4</sub><sup>3-</sup> Ions in Aqueous Solution by a Luminescent Terbium Metal-Organic Framework.","ACS omega","2019","4","15","16378","16384","10.1021/acsomega.9b01911","","","0.71073","MoKα","","0.0171","0.0171","","","0.0582","0.0583","","","","","","1.009","","","","has coordinates","239671","2020-10-21","18:00:00",""
"4516986","12.232","0.002","15.846","0.003","15.553","0.003","90","","105.279","0.003","90","","2908.1","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 Ir N3 O5 P -","- C31 H31 Ir N3 O5 P -","- C124 H124 Ir4 N12 O20 P4 -","4","1","","Zeng, Dai; Yuan, Xiang-Ai; Liu, Jing-Cui; Li, Li; Wang, Lu-Ping; Qin, Ming-Feng; Bao, Song-Song; Ma, Jing; Zheng, Li-Min","Cyclometalated Iridium(III) Complexes Incorporating Aromatic Phosphonate Ligands: Syntheses, Structures, and Tunable Optical Properties.","ACS omega","2019","4","15","16543","16550","10.1021/acsomega.9b02311","","","0.71073","MoKα","","0.0415","0.0315","","","0.0926","0.0991","","","","","","1.021","","","","has coordinates","239672","2020-10-21","18:00:00",""
"4516987","34.92","0.03","10.096","0.008","16.247","0.013","90","","104.98","0.014","90","","5533","8","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H17 F4 Ir N3 O3 P -","- C27 H17 F4 Ir N3 O3 P -","- C216 H136 F32 Ir8 N24 O24 P8 -","8","1","","Zeng, Dai; Yuan, Xiang-Ai; Liu, Jing-Cui; Li, Li; Wang, Lu-Ping; Qin, Ming-Feng; Bao, Song-Song; Ma, Jing; Zheng, Li-Min","Cyclometalated Iridium(III) Complexes Incorporating Aromatic Phosphonate Ligands: Syntheses, Structures, and Tunable Optical Properties.","ACS omega","2019","4","15","16543","16550","10.1021/acsomega.9b02311","","","0.71073","MoKα","","0.0324","0.027","","","0.0748","0.0781","","","","","","0.97","","","","has coordinates","239673","2020-10-21","18:00:00",""
"4516988","16.7562","0.0006","12.0231","0.0005","11.4859","0.0004","90","","90","","90","","2313.97","0.15","142","2","142","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H32 N2 O Si2 Sn -","- C21 H32 N2 O Si2 Sn -","- C84 H128 N8 O4 Si8 Sn4 -","4","0.5","","Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André","Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes.","ACS omega","2019","4","19","18355","18360","10.1021/acsomega.9b02605","","","0.71073","MoKα","","0.0361","0.0247","","","0.0535","0.0574","","","","","","1.016","","","","has coordinates","239674","2020-10-21","18:00:00",""
"4516989","6.5883","0.0007","15.0745","0.0016","16.3118","0.0018","90","","99.563","0.004","90","","1597.5","0.3","152","2","152","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 O Si2 Sn -","- C14 H20 O Si2 Sn -","- C56 H80 O4 Si8 Sn4 -","4","1","","Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André","Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes.","ACS omega","2019","4","19","18355","18360","10.1021/acsomega.9b02605","","","0.71073","MoKα","","0.0554","0.0294","","","0.06","0.0659","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516990","6.4984","0.0003","15.098","0.0008","16.2057","0.0008","90","","100.832","0.002","90","","1561.66","0.13","152","2","152","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Ge O Si2 -","- C14 H20 Ge O Si2 -","- C56 H80 Ge4 O4 Si8 -","4","1","","Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André","Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes.","ACS omega","2019","4","19","18355","18360","10.1021/acsomega.9b02605","","","0.71073","MoKα","","0.0353","0.0238","","","0.0603","0.0636","","","","","","1.02","","","","has coordinates","239676","2020-10-21","18:00:00",""
"4516991","14.6027","0.0005","21.7849","0.0009","31.2862","0.0013","90","","98.897","0.002","90","","9833","0.7","172","2","172","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 O Pb Si2 -","- C14 H20 O Pb Si2 -","- C336 H480 O24 Pb24 Si48 -","24","6","","Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André","Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes.","ACS omega","2019","4","19","18355","18360","10.1021/acsomega.9b02605","","","0.71073","MoKα","","0.0741","0.0425","","","0.0782","0.0898","","","","","","1.057","","","","has coordinates,has disorder","239677","2020-10-21","18:00:00",""
"4516992","16.8368","0.0012","12.0431","0.0008","11.5413","0.0009","90","","90","","90","","2340.2","0.3","133","2","133","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H32 N2 O Pb Si2 -","- C21 H32 N2 O Pb Si2 -","- C84 H128 N8 O4 Pb4 Si8 -","4","0.5","","Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André","Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes.","ACS omega","2019","4","19","18355","18360","10.1021/acsomega.9b02605","","","0.71073","MoKα","","0.0559","0.0426","","","0.0745","0.0775","","","","","","1.247","","","","has coordinates","239678","2020-10-21","18:00:00",""
"4516993","7.3045","0.0003","7.6279","0.0004","11.8666","0.0004","78.431","0.004","87.969","0.003","62.9","0.005","575.45","0.05","109.99","0.1","109.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H8 Br N O -","- C15 H8 Br N O -","- C30 H16 Br2 N2 O2 -","2","1","","Zou, Song; Liu, Yu; Xi, Chanjuan","Concise and Efficient Synthesis of Indole-Indolone Scaffolds through MeOTf-Induced Annulation of <i>N</i>-(2-Cyanoaryl)indoles.","ACS omega","2019","4","20","18734","18740","10.1021/acsomega.9b02679","","x-ray","1.54184","CuKα","","0.0296","0.0241","","","0.0603","0.0654","","","","","","1.116","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516994","7.2824","0.0002","8.2333","0.0003","9.9984","0.0004","97.9","0.003","90.784","0.003","104.758","0.003","573.46","0.04","169.99","0.11","169.99","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C32 H22 N2 O4 -","2","1","","Zou, Song; Liu, Yu; Xi, Chanjuan","Concise and Efficient Synthesis of Indole-Indolone Scaffolds through MeOTf-Induced Annulation of <i>N</i>-(2-Cyanoaryl)indoles.","ACS omega","2019","4","20","18734","18740","10.1021/acsomega.9b02679","","x-ray","1.54184","CuKα","","0.0423","0.0367","","","0.0992","0.1062","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516995","7.8659","0.0005","10.7334","0.0005","15.3411","0.0009","102.735","0.005","93.637","0.005","107.559","0.005","1192.67","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Cu N2 O7 -","- C28 H20 Cu N2 O7 -","- C56 H40 Cu2 N4 O14 -","2","1","","Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B.","Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties.","ACS omega","2019","4","19","18444","18455","10.1021/acsomega.9b02779","","","0.71073","MoKα","","0.0767","0.0678","","","0.1796","0.187","","","","","","1.07","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516996","7.6269","0.0002","18.8777","0.0006","16.9569","0.0006","90","","101.225","0.002","90","","2394.72","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 N2 O6 Zn -","- C28 H18 N2 O6 Zn -","- C112 H72 N8 O24 Zn4 -","4","1","","Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B.","Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties.","ACS omega","2019","4","19","18444","18455","10.1021/acsomega.9b02779","","","0.71073","MoKα","","0.0643","0.0393","","","0.0945","0.1052","","","","","","1.086","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516997","13.6241","0.0005","19.7951","0.0009","15.5784","0.0006","90","","107.568","0.004","90","","4005.4","0.3","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C40 H34 Cl2 Cu N6 O8 -","- C40 H34 Cl2 Cu N6 O8 -","- C160 H136 Cl8 Cu4 N24 O32 -","4","0.5","","Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B.","Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties.","ACS omega","2019","4","19","18444","18455","10.1021/acsomega.9b02779","","","0.71073","MoKα","","0.0633","0.045","","","0.1339","0.1556","","","","","","1.004","","","","has coordinates","239681","2020-10-21","18:00:00",""
"4516998","13.3912","0.0013","13.7749","0.0009","13.12","0.0016","90","","116.239","0.014","90","","2170.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl Cu N3 O8 -","- C20 H22 Cl Cu N3 O8 -","- C80 H88 Cl4 Cu4 N12 O32 -","4","1","","Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B.","Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties.","ACS omega","2019","4","19","18444","18455","10.1021/acsomega.9b02779","","","0.71073","MoKα","","0.0583","0.0485","","","0.1299","0.136","","","","","","1.072","","","","has coordinates","239681","2020-10-21","18:00:00",""
"4516999","16.1308","0.0005","23.6787","0.0007","9.7385","0.0003","90","","90","","90","","3719.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C84 H54 Cd3 N6 O18 -","- C84 H54 Cd3 N6 O18 -","- C168 H108 Cd6 N12 O36 -","2","0.5","","Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B.","Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties.","ACS omega","2019","4","19","18444","18455","10.1021/acsomega.9b02779","","","0.71073","MoKα","","0.0422","0.031","","","0.0413","0.0429","","","","","","1.245","","","","has coordinates","239681","2020-10-21","18:00:00",""
"4517000","11.1068","0.0005","12.9223","0.0006","19.2069","0.0008","77.295","0.004","74.617","0.004","83.817","0.005","2589.3","0.2","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H40 B Cl2 F15 N3 V -","- C51 H40 B Cl2 F15 N3 V -","- C102 H80 B2 Cl4 F30 N6 V2 -","2","1","","Nomura, Kotohiro; Nagai, Go; Izawa, Itsuki; Mitsudome, Takato; Tamm, Matthias; Yamazoe, Seiji","XAS Analysis of Reactions of (Arylimido)vanadium(V) Dichloride Complexes Containing Anionic NHC That Contains a Weakly Coordinating B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> Moiety (WCA-NHC) or Phenoxide Ligands with Al Alkyls: A Potential Ethylene Polymerization Catalyst with WCA-NHC Ligands.","ACS omega","2019","4","20","18833","18845","10.1021/acsomega.9b02828","","","0.71075","MoKα","","0.0545","0.0462","","","0.1465","0.1505","","","","","","1.072","","","","has coordinates","239683","2020-10-21","18:00:00",""
"4517001","23.5392","0.0006","16.1604","0.0005","31.5068","0.0008","90","","97.42","0.002","90","","11884.9","0.6","296","","296","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C53 H44 B Cl2 F15 N3 V -","- C53 H44 B Cl1.7416 F15 N3 V -","- C424 H352 B8 Cl13.9328 F120 N24 V8 -","8","1","","Nomura, Kotohiro; Nagai, Go; Izawa, Itsuki; Mitsudome, Takato; Tamm, Matthias; Yamazoe, Seiji","XAS Analysis of Reactions of (Arylimido)vanadium(V) Dichloride Complexes Containing Anionic NHC That Contains a Weakly Coordinating B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> Moiety (WCA-NHC) or Phenoxide Ligands with Al Alkyls: A Potential Ethylene Polymerization Catalyst with WCA-NHC Ligands.","ACS omega","2019","4","20","18833","18845","10.1021/acsomega.9b02828","","","0.71073","MoKα","","0.0798","0.0511","","","0.1527","0.166","","","","","","1.082","","","","has coordinates","239683","2020-10-21","18:00:00",""
"4517003","11.5414","0.0003","12.288","0.0006","10.9161","0.0005","90","","115.252","0.002","90","","1400.19","0.1","298","2","298","","","","100","","","","LAPESSB","5","P 1 21/c 1","-P 2ybc","14","Crystal_OP18","N'[(1E)-(4-methoxyphenyl)methylidene]benzenesulfonohydrazide","","- C14 H14 N2 O3 S -","- C14 H14 N2 O3 S -","- C56 H56 N8 O12 S4 -","4","1","","Cunha, Micael R.; Tavares, Maurício T.; Carvalho, Camila F.; Silva, Nuno A. T.; Souza, Alfredo D. F.; Pereira, Gustavo J. V.; Ferreira, Fábio F.; Parise-Filho, Roberto","Environmentally Safe Condition for the Synthesis of Aryl and Alkyl Sulfonyl Hydrazones via One-Pot Reaction","ACS Sustainable Chemistry & Engineering","2016","4","4","1899","","10.1021/acssuschemeng.6b00193","powder diffraction","x-ray","0.70926","MoKα~1~","","","","","","","","","0.0295","1.637","","","","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517004","5.6317","0.0006","7.7476","0.0008","11.7256","0.0013","96.036","0.003","92.324","0.004","104.799","0.003","490.69","0.09","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H10 O5 -","- C11 H10 O5 -","- C22 H20 O10 -","2","1","","Wilson, Jedediah; Chen, Eugene Y.-X.","Organocatalytic Cross-Coupling of Biofuranics to Multifunctional Difuranic C11 Building Blocks","ACS Sustainable Chemistry & Engineering","2016","4","9","4927","","10.1021/acssuschemeng.6b01235","","","0.71073","MoKα","","0.0461","0.0404","","","0.1078","0.1221","","","","","","1.089","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517005","41.6712","0.0009","9.02761","0.00018","26.1878","0.0005","90","","128.247","0.0009","90","","7737","0.3","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H48 N6 O13 -","- C38 H48 N6 O13 -","- C304 H384 N48 O104 -","8","1","","Udagawa, Akihiro; Johnston, Priscilla; Uekusa, Hidehiro; Koshima, Hideko; Saito, Kei; Asahi, Toru","Solid-State Photochemical Reaction of Multisubstituted Thymine Derivatives","ACS Sustainable Chemistry & Engineering","2016","4","11","6107","","10.1021/acssuschemeng.6b01529","","","1.54187","CuKα","","0.0787","0.0685","","","0.2005","0.2137","","","","","","1.102","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517006","11.0679","0.0005","13.2125","0.0005","16.1614","0.0007","90","","106.704","0.003","90","","2263.63","0.17","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H54 N8 O16 -","- C46 H54 N8 O16 -","- C92 H108 N16 O32 -","2","0.5","","Udagawa, Akihiro; Johnston, Priscilla; Uekusa, Hidehiro; Koshima, Hideko; Saito, Kei; Asahi, Toru","Solid-State Photochemical Reaction of Multisubstituted Thymine Derivatives","ACS Sustainable Chemistry & Engineering","2016","4","11","6107","","10.1021/acssuschemeng.6b01529","","","1.54187","CuKα","","0.0719","0.0595","","","0.167","0.1803","","","","","","1.083","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517007","10.943","0.0007","12.7063","0.0008","19.0931","0.0012","90","","95.517","0.003","90","","2642.5","0.3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N4 O9 -","- C26 H32 N4 O9 -","- C104 H128 N16 O36 -","4","1","","Udagawa, Akihiro; Johnston, Priscilla; Uekusa, Hidehiro; Koshima, Hideko; Saito, Kei; Asahi, Toru","Solid-State Photochemical Reaction of Multisubstituted Thymine Derivatives","ACS Sustainable Chemistry & Engineering","2016","4","11","6107","","10.1021/acssuschemeng.6b01529","","","1.54187","CuKα","","0.1267","0.0944","","","0.2531","0.2997","","","","","","1.144","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517132","19.732","0.009","17.324","0.009","9.857","0.005","90","","96.091","0.006","90","","3350","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Br2 N2 O5 -","- C36 H36 Br2 N2 O5 -","- C144 H144 Br8 N8 O20 -","4","1","","Yang, Jun-Li; Ma, Yong-Hui; Li, Yan-Hua; Zhang, Yi-Peng; Tian, Hong-Chang; Huang, Yuan-Cheng; Li, Yan; Chen, Wen; Yang, Li-Juan","Design, Synthesis, and Anticancer Activity of Novel Trimethoxyphenyl-Derived Chalcone-Benzimidazolium Salts","ACS Omega","2019","4","23","20381","","10.1021/acsomega.9b03077","","","0.71073","MoKα","","0.1441","0.0519","","","0.0942","0.1166","","","","","","0.876","","","","has coordinates,has disorder","246539","2020-10-21","18:00:00",""
"4517133","7.2508","0.0019","8.01","0.003","8.795","0.002","82.177","0.011","70.183","0.007","64.893","0.007","435.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Fe2 N2 O12 -","- C14 H10 Fe2 N2 O12 -","- C14 H10 Fe2 N2 O12 -","1","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Correction to “Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes”","ACS Omega","2019","4","23","20423","","10.1021/acsomega.9b03593","","","0.71073","MoKα","","0.1589","0.0901","","","0.2371","0.2811","","","","","","1.089","","","","has coordinates","246540","2020-10-21","18:00:00",""
"4517134","11.3981","0.0011","21.713","0.002","7.5145","0.0007","90","","90.043","0.004","90","","1859.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe2 N2 O13 -","- C14 H11 Fe2 N2 O13 -","- C56 H44 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Correction to “Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes”","ACS Omega","2019","4","23","20423","","10.1021/acsomega.9b03593","","","0.71073","MoKα","","0.0829","0.0494","","","0.1271","0.1517","","","","","","1.059","","","","has coordinates","246540","2020-10-21","18:00:00",""
"4517188","9.75071","0.00005","15.60697","0.0001","21.237","0.00009","90","","90","","90","","3231.83","0.03","100.1","","100.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Cp*Ir(L-pro)Cl","","- C15 H24 Cl Ir N O2.5 -","- C15 H24 Cl Ir N O2.5 -","- C120 H192 Cl8 Ir8 N8 O20 -","8","2","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","x-ray","0.71073","MoKα","","0.0244","0.0201","","","0.0322","0.0333","","","","","","1.113","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4517189","12.8063","0.0003","14.5872","0.0003","16.3284","0.0003","90","","90","","90","","3050.28","0.11","100.1","","100.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12.5 H20 Cl2 Ir N O2 -","- C12.5 H20 Cl2 Ir N O2 -","- C100 H160 Cl16 Ir8 N8 O16 -","8","2","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","","0.71073","MoKα","","0.0409","0.0337","","","0.0557","0.0602","","","","","","0.86","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4517190","9.7519","0.0002","8.5712","0.0001","11.3815","0.0002","90","","105.931","0.002","90","","914.79","0.03","99.8","0.5","99.8","0.5","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H22 B F4 Ir N2 O2 -","- C14 H22 B F4 Ir N2 O2 -","- C28 H44 B2 F8 Ir2 N4 O4 -","2","1","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","x-ray","0.71073","MoKα","","0.0365","0.0303","","","0.0545","0.057","","","","","","1.043","","","","has coordinates","246537","2020-10-21","18:00:00",""
"4517191","17.7694","0.0004","17.7694","0.0004","12.1058","0.0003","90","","90","","120","","3310.32","0.13","100.15","","100.15","","","","","","","","","7","P 63","P 6c","173","","","","- C30 H46 F12 Ir2 N2 O4 P2 -","- C30 H46 F12 Ir2 N2 O4 P2 -","- C90 H138 F36 Ir6 N6 O12 P6 -","3","0.5","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","","0.71073","MoKα","","0.0763","0.0451","","","0.082","0.1012","","","","","","1.082","","","","has coordinates,has disorder","246537","2020-10-21","18:00:00",""
"4517192","11.8589","0.0003","12.0553","0.0003","24.3256","0.0006","97.538","0.002","93.547","0.002","94.776","0.002","3426.29","0.15","100.05","0.1","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H98 B3 F12 Ir3 N8 O11 -","- C54 H98 B3 F12 Ir3 N8 O11 -","- C108 H196 B6 F24 Ir6 N16 O22 -","2","1","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","","0.71073","MoKα","","0.0579","0.0429","","","0.0748","0.0797","","","","","","1.065","","","","has coordinates","246537","2020-10-21","18:00:00",""
"4517193","37.569","0.002","12.7541","0.0003","36.915","0.002","90","","123.638","0.003","90","","14726.3","1.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C96 H152 F48 Ir8 N8 O16 P8 -","- C96 H152 F48 Ir8 N8 O16 P8 -","- C384 H608 F192 Ir32 N32 O64 P32 -","4","0.5","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","","0.71073","MoKα","","0.0816","0.0534","","","0.0879","0.0992","","","","","","1.063","","","","has coordinates","246537","2020-10-21","18:00:00",""
"4517194","14.4847","0.0011","14.4847","0.0011","12.3555","0.0007","90","","90","","90","","2592.3","0.3","180","2","180.15","","","","","","","","","6","I 4/m","-I 4","87","","","","- Er Ge H6 K5 O42 W11 -","- Er Ge K4 O42 W11 -","- Er2 Ge2 K8 O84 W22 -","2","0.125","","Ibrahim, Masooma; Mbomekallé, Israël M; de Oliveira, Pedro; Baksi, Ananya; Carter, Anthony B.; Peng, Yan; Bergfeldt, Thomas; Malik, Sharali; Anson, Christopher E.","Syntheses, Crystal Structure, Electrocatalytic, and Magnetic Properties of the Monolanthanide-Containing Germanotungstates [Ln(H<sub>2</sub>O) <i> <sub>n</sub> </i> GeW<sub>11</sub>O<sub>39</sub>]<sup>5-</sup> (Ln = Dy, Er, <i>n</i> = 4,3).","ACS omega","2019","4","26","21873","21882","10.1021/acsomega.9b02846","","","0.71073","MoKα","","0.0614","0.045","","","0.1224","0.132","","","","","","1.116","","","","has coordinates,has disorder","288264","2023-12-12","21:08:33",""
"4517195","14.48","0.002","14.48","0.002","12.391","0.003","90","","90","","90","","2598","0.8","180","2","180","2","","","","","","","","6","I 4/m","-I 4","87","","","","- Dy Ge H8 K5 O43 W11 -","- Dy Ge K4 O43 W11 -","- Dy2 Ge2 K8 O86 W22 -","2","0.125","","Ibrahim, Masooma; Mbomekallé, Israël M; de Oliveira, Pedro; Baksi, Ananya; Carter, Anthony B.; Peng, Yan; Bergfeldt, Thomas; Malik, Sharali; Anson, Christopher E.","Syntheses, Crystal Structure, Electrocatalytic, and Magnetic Properties of the Monolanthanide-Containing Germanotungstates [Ln(H<sub>2</sub>O) <i> <sub>n</sub> </i> GeW<sub>11</sub>O<sub>39</sub>]<sup>5-</sup> (Ln = Dy, Er, <i>n</i> = 4,3).","ACS omega","2019","4","26","21873","21882","10.1021/acsomega.9b02846","","","0.71073","MoKα","","0.0704","0.0459","","","0.1214","0.134","","","","","","1.03","","","","has coordinates,has disorder","246538","2020-10-21","18:00:00",""
"4517219","18.0203","0.0018","18.028","0.002","22.855","0.003","90","","90","","90","","7424.9","1.5","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H44.8 Fe2 N8 O17.4 -","- C32 H44.8 Fe2 N8 O17.4 -","- C256 H358.4 Fe16 N64 O139.2 -","8","1","","Beltran-Torres, Melissa; Sugich-Miranda, Rocío; Santacruz-Ortega, Hisila; Machi, Lorena; Inoue, Motomichi; Velázquez-Contreras, Enrique F.; Soberanes, Yedith; Höpfl, Herbert; Pérez-González, Refugio; Navarro, Rosa Elena; Salazar-Medina, Alex J.; Sotelo Mundo, Rogerio R.","Comparative Studies of Structures and Peroxidase-like Activities of Copper(II) and Iron(III) Complexes with an EDTA-Based Phenylene-Macrocycle and Its Acyclic Analogue","ACS Omega","2019","4","27","22487","","10.1021/acsomega.9b03164","","","0.71073","MoKα","","0.0327","0.0301","","","0.0721","0.0734","","","","","","1.095","","","","has coordinates","246535","2020-10-21","18:00:00",""
"4517220","7.3272","0.0005","13.6323","0.001","23.8535","0.0018","90","","90","","90","","2382.6","0.3","293.15","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N4 O8 -","- C22 H30 N4 O8 -","- C88 H120 N16 O32 -","4","1","","Beltran-Torres, Melissa; Sugich-Miranda, Rocío; Santacruz-Ortega, Hisila; Machi, Lorena; Inoue, Motomichi; Velázquez-Contreras, Enrique F.; Soberanes, Yedith; Höpfl, Herbert; Pérez-González, Refugio; Navarro, Rosa Elena; Salazar-Medina, Alex J.; Sotelo Mundo, Rogerio R.","Comparative Studies of Structures and Peroxidase-like Activities of Copper(II) and Iron(III) Complexes with an EDTA-Based Phenylene-Macrocycle and Its Acyclic Analogue","ACS Omega","2019","4","27","22487","","10.1021/acsomega.9b03164","","","0.71073","MoKα","","0.0875","0.0778","","","0.1429","0.1468","","","","","","1.274","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517221","12.1188","0.0008","18.1908","0.0012","14.0536","0.0009","90","","105.176","0.002","90","","2990.1","0.3","126","2","125.68","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H58 Fe2 N10 O31 -","- C44 H58 Fe2 N10 O31 -","- C88 H116 Fe4 N20 O62 -","2","0.5","","Beltran-Torres, Melissa; Sugich-Miranda, Rocío; Santacruz-Ortega, Hisila; Machi, Lorena; Inoue, Motomichi; Velázquez-Contreras, Enrique F.; Soberanes, Yedith; Höpfl, Herbert; Pérez-González, Refugio; Navarro, Rosa Elena; Salazar-Medina, Alex J.; Sotelo Mundo, Rogerio R.","Comparative Studies of Structures and Peroxidase-like Activities of Copper(II) and Iron(III) Complexes with an EDTA-Based Phenylene-Macrocycle and Its Acyclic Analogue","ACS Omega","2019","4","27","22487","","10.1021/acsomega.9b03164","","","1.54178","CuKα","","0.0424","0.0394","","","0.1039","0.1059","","","","","","1.061","","","","has coordinates,has disorder","246535","2020-10-21","18:00:00",""
"4517222","7.2519","0.0003","16.6879","0.0009","23.0206","0.0009","90","","90","","90","","2785.9","0.2","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 B Fe O P -","- C35 H32 B Fe O P -","- C140 H128 B4 Fe4 O4 P4 -","4","1","","Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie","Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines","ACS Omega","2019","4","27","22540","","10.1021/acsomega.9b03251","","x-ray","0.71073","MoKα","","0.1312","0.0661","","","0.1078","0.1307","","","","","","0.987","","","","has coordinates","246536","2020-10-21","18:00:00",""
"4517223","8.0956","0.0002","10.9588","0.0003","28.2204","0.0007","90","","90","","90","","2503.66","0.11","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 B Fe O2 P -","- C30 H30 B Fe O2 P -","- C120 H120 B4 Fe4 O8 P4 -","4","1","","Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie","Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines","ACS Omega","2019","4","27","22540","","10.1021/acsomega.9b03251","","","0.71073","MoKα","","0.0411","0.0334","","","0.0605","0.0632","","","","","","1.048","","","","has coordinates","246536","2020-10-21","18:00:00",""
"4517224","8.7032","0.0008","14.3818","0.0017","15.747","0.002","69.995","0.012","86.666","0.01","73.762","0.009","1776.7","0.4","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H33 Cl6 Fe O P Ru -","- C37 H33 Cl6 Fe O P Ru -","- C74 H66 Cl12 Fe2 O2 P2 Ru2 -","2","1","","Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie","Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines","ACS Omega","2019","4","27","22540","","10.1021/acsomega.9b03251","","x-ray","0.71073","MoKα","","0.1844","0.0754","","","0.0909","0.1183","","","","","","0.995","","","","has coordinates","246536","2020-10-21","18:00:00",""
"4517225","10.0321","0.0002","12.8901","0.0003","17.3984","0.0003","90.327","0.002","101.504","0.002","110.961","0.002","2051.46","0.08","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C42.5 H46 Cl4 Fe O2 P Ru -","- C42.5 H46 Cl4 Fe O2 P Ru -","- C85 H92 Cl8 Fe2 O4 P2 Ru2 -","2","1","","Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie","Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines","ACS Omega","2019","4","27","22540","","10.1021/acsomega.9b03251","","","0.71073","MoKα","","0.0459","0.0386","","","0.1066","0.1107","","","","","","1.09","","","","has coordinates","246536","2020-10-21","18:00:00",""
"4517226","10.8773","0.0002","19.3811","0.0004","52.8787","0.0014","90","","90","","90","","11147.6","0.4","130","2","130","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C61.01 H55.04 Cl5 Fe2 O4 P2 Ru -","- C61.01 H55.03 Cl5 Fe2 O4 P2 Ru -","- C488.08 H440.24 Cl40 Fe16 O32 P16 Ru8 -","8","2","","Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie","Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines","ACS Omega","2019","4","27","22540","","10.1021/acsomega.9b03251","","","0.71073","MoKα","","0.0928","0.0779","","","0.1793","0.1892","","","","","","1.082","","","","has coordinates,has disorder","246536","2020-10-21","18:00:00",""
"4518445","8.3684","0.0005","33.246","0.002","20.5563","0.0012","90","","90.112","0.001","90","","5719.1","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H28 Fe9 N7 S10 -","- C7 H28 Fe9 N7 S10 -","- C56 H224 Fe72 N56 S80 -","8","2","","Harmer, Colin P.; Pak, Chongin; Greenfield, Joshua T.; Adeyemi, Adedoyin N.; Gamage, Eranga H.; Kovnir, Kirill","Non-innocent Intercalation of Diamines into Tetragonal FeS Superconductor","ACS Applied Energy Materials","2021","4","1","42","46","10.1021/acsaem.0c02996","","","0.71073","MoKα","","0.0694","0.0446","","","0.1018","0.1135","","","","","","1.033","","","","has coordinates","261397","2021-02-03","19:06:30",""
"4518778","7.1681","0.0002","7.1681","0.0002","7.2748","0.0003","90","","90","","90","","373.79","0.02","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","Na2.97SbS3.97Cl0.03 tetragonal","","","- M4 Na2.97 Sb -","- M4 Na2.97 Sb -","- M8 Na5.94 Sb2 -","2","0.25","","Gamo, Hirotada; Phuc, Nguyen Huu Huy; Muto, Hiroyuki; Matsuda, Atsunori","Effects of Substituting S with Cl on the Structural and Electrochemical Characteristics of Na3SbS4 Solid Electrolytes","ACS Applied Energy Materials","2021","4","6","6125","6134","10.1021/acsaem.1c00927","powder diffraction","","1.54059","CuKα~1~","","0.0205","","","","","","0.01887","0.03816","1.6259","","","","","","","has coordinates","266946","2021-07-04","01:22:31",""
"4518779","7.1653","0.0001","7.1653","0.0001","7.2896","0.0002","90","","90","","90","","374.259","0.013","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","Na3SbS4 tetragonal","","","- Na3 S4 Sb -","- Na3 S4 Sb -","- Na6 S8 Sb2 -","2","0.25","","Gamo, Hirotada; Phuc, Nguyen Huu Huy; Muto, Hiroyuki; Matsuda, Atsunori","Effects of Substituting S with Cl on the Structural and Electrochemical Characteristics of Na3SbS4 Solid Electrolytes","ACS Applied Energy Materials","2021","4","6","6125","6134","10.1021/acsaem.1c00927","powder diffraction","","1.54059","CuKα~1~","","0.02236","","","","","","0.02309","0.03194","1.516","","","","","","","has coordinates","266946","2021-07-04","01:22:42",""
"4519028","17.1942","0.0011","23.7369","0.0013","12.5316","0.0015","90","","114.558","0.001","90","","4651.9","0.7","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H59 B N4 O3 -","- C56 H59 B N4 O3 -","- C224 H236 B4 N16 O12 -","4","0.5","","Leonardus, Mario; Rameez, Mohammad; Wu, Wen-Ti; Hung, Chen-Hsiung","Tuning Alkyl Chain Lengths of Oxasmaragdyrins-B(OR)2 for Optimizing Hole-Transport and Efficiency in Perovskite Solar Cells","ACS Applied Energy Materials","2021","4","9","9090","9098","10.1021/acsaem.1c01383","","","0.71073","MoKα","","0.0572","0.044","","","0.1126","0.1243","","","","","","1.029","","","","has coordinates","269455","2021-10-03","18:12:17",""
"4519029","18.8852","0.0006","16.4624","0.0005","24.9219","0.0008","90","","90","","90","","7748.1","0.4","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H43 B N4 O3 -","- C48 H43 B N4 O3 -","- C384 H344 B8 N32 O24 -","8","1","","Leonardus, Mario; Rameez, Mohammad; Wu, Wen-Ti; Hung, Chen-Hsiung","Tuning Alkyl Chain Lengths of Oxasmaragdyrins-B(OR)2 for Optimizing Hole-Transport and Efficiency in Perovskite Solar Cells","ACS Applied Energy Materials","2021","4","9","9090","9098","10.1021/acsaem.1c01383","","","0.71073","MoKα","","0.1076","0.0507","","","0.1022","0.126","","","","","","1.022","","","","has coordinates","269456","2021-10-03","18:12:47",""
"4519030","20.672","0.004","8.5247","0.0017","21.938","0.004","90","","97.66","0.03","90","","3831.5","1.3","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H41 B Cl2 N4 O3 -","- C47 H40.8 B Cl2 N4 O3 -","- C188 H163.2 B4 Cl8 N16 O12 -","4","1","","Leonardus, Mario; Rameez, Mohammad; Wu, Wen-Ti; Hung, Chen-Hsiung","Tuning Alkyl Chain Lengths of Oxasmaragdyrins-B(OR)2 for Optimizing Hole-Transport and Efficiency in Perovskite Solar Cells","ACS Applied Energy Materials","2021","4","9","9090","9098","10.1021/acsaem.1c01383","","","0.71073","MoKα","","0.1029","0.0716","","","0.1777","0.2057","","","","","","0.995","","","","has coordinates,has disorder","269457","2021-10-03","18:13:19",""
"4519031","19.5388","0.0003","12.9417","0.0002","39.3208","0.0006","90","","90","","90","","9942.9","0.3","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H67 B N4 O3 -","- C60 H67 B N4 O3 -","- C480 H536 B8 N32 O24 -","8","1","","Leonardus, Mario; Rameez, Mohammad; Wu, Wen-Ti; Hung, Chen-Hsiung","Tuning Alkyl Chain Lengths of Oxasmaragdyrins-B(OR)2 for Optimizing Hole-Transport and Efficiency in Perovskite Solar Cells","ACS Applied Energy Materials","2021","4","9","9090","9098","10.1021/acsaem.1c01383","","","1.54178","CuKα","","0.077","0.0735","","","0.183","0.1857","","","","","","1.06","","","","has coordinates,has disorder","269458","2021-10-03","18:13:49",""
"4519032","4.11158","0.00006","4.11158","0.00006","4.11158","0.00006","90","","90","","90","","69.5066","0.0018","293","","293","","","","","","","","synthetic","4","P m -3 m","-P 4 2 3","221","barium tantalum oxynitride","barium tantalum dioxide nitride","","- Ba N0.58 O2.42 Ta -","- Ba N0.57525 O2.40096 Ta -","- Ba N0.57525 O2.40096 Ta -","1","0.0208333","","Hojamberdiev, Mirabbos; Mora-Hernandez, J. Manuel; Vargas, Ronald; Yamakata, Akira; Yubuta, Kunio; Heppke, Eva Maria; Torres-Martínez, Leticia M.; Teshima, Katsuya; Lerch, Martin","Time-Retrenched Synthesis of BaTaO2N by Localizing an NH3 Delivery System for Visible-Light-Driven Photoelectrochemical Water Oxidation at Neutral pH: Solid-State Reaction or Flux Method?","ACS Applied Energy Materials","2021","4","9","9315","9327","10.1021/acsaem.1c01539","powder diffraction","x-ray","1.5406","CuKα","","","","","0.0248","","","","0.014299","1.57","","","","","","","has coordinates","287938","2023-12-01","16:11:17",""
"4519033","4.11296","0.00007","4.11296","0.00007","4.11296","0.00007","90","","90","","90","","69.577","0.002","293","","293","","","","","","","","synthetic","4","P m -3 m","-P 4 2 3","221","barium tantalum oxynitride","barium tantalum dioxide nitride","","- Ba N0.76 O2.24 Ta -","- Ba N0.76191 O2.23809 Ta -","- Ba N0.76191 O2.23809 Ta -","1","0.0208333","","Hojamberdiev, Mirabbos; Mora-Hernandez, J. Manuel; Vargas, Ronald; Yamakata, Akira; Yubuta, Kunio; Heppke, Eva Maria; Torres-Martínez, Leticia M.; Teshima, Katsuya; Lerch, Martin","Time-Retrenched Synthesis of BaTaO2N by Localizing an NH3 Delivery System for Visible-Light-Driven Photoelectrochemical Water Oxidation at Neutral pH: Solid-State Reaction or Flux Method?","ACS Applied Energy Materials","2021","4","9","9315","9327","10.1021/acsaem.1c01539","powder diffraction","x-ray","1.5406","CuKα","","","","","0.032","","","","0.011351","1.42","","","","","","","has coordinates","287938","2023-12-01","16:11:17",""
"4519263","7.32853","0.00013","18.8735","0.0003","8.53709","0.00014","90","","95.8653","0.0016","90","","1174.63","0.03","100","0.1","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H14 F N5 S3 -","- C28 H14 F N5 S3 -","- C56 H28 F2 N10 S6 -","2","1","","Yu, Ying; Xing, Hao; Park, Hojeong; Zhang, Ruoyao; Peng, Chen; Sung, Herman H.-Y.; Williams, Ian D.; Ma, Chao; Wong, Kam Sing; Li, Shijie; Xiong, Qingping; Li, Min-Hui; Zhao, Zheng; Tang, Ben Zhong","Deep-Red Aggregation-Induced Emission Luminogen Based on Dithiofuvalene-Fused Benzothiadiazole for Lipid Droplet-Specific Imaging","ACS Materials Letters","2021","4","1","159","164","10.1021/acsmaterialslett.1c00570","","","1.54184","CuKα","","0.0207","0.0204","","","0.051","0.0512","","","","","","1.052","","","","has coordinates","271758","2022-01-03","22:06:03",""
"4519264","7.3216","0.0005","10.4441","0.0006","14.9898","0.0009","79.644","0.005","75.956","0.005","77.935","0.005","1077.3","0.12","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H5 Cl N6 S5 -","- C20 H5 Cl N6 S5 -","- C40 H10 Cl2 N12 S10 -","2","1","","Yu, Ying; Xing, Hao; Park, Hojeong; Zhang, Ruoyao; Peng, Chen; Sung, Herman H.-Y.; Williams, Ian D.; Ma, Chao; Wong, Kam Sing; Li, Shijie; Xiong, Qingping; Li, Min-Hui; Zhao, Zheng; Tang, Ben Zhong","Deep-Red Aggregation-Induced Emission Luminogen Based on Dithiofuvalene-Fused Benzothiadiazole for Lipid Droplet-Specific Imaging","ACS Materials Letters","2021","4","1","159","164","10.1021/acsmaterialslett.1c00570","","x-ray","1.54184","CuKα","","0.0233","0.0225","","","0.06","0.0606","","","","","","1.037","","","","has coordinates","271759","2022-01-03","22:06:25",""
"4519265","10.1487","0.0004","16.004","0.0006","16.6748","0.0007","78.442","0.003","87.882","0.003","72.798","0.004","2533.99","0.18","200.15","","200.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 Cl4 N2 O10 S4 -","- C42 H34 Cl4 N2 O10 S4 -","- C84 H68 Cl8 N4 O20 S8 -","2","1","","Kirlikovali, Kent O.; Goswami, Subhadip; Mian, Mohammad Rasel; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Hupp, Joseph T.; Li, Peng; Farha, Omar K.","An Electrically Conductive Tetrathiafulvalene-Based Hydrogen-Bonded Organic Framework","ACS Materials Letters","2021","4","1","128","135","10.1021/acsmaterialslett.1c00628","","","1.54184","CuKα","","0.1828","0.1721","","","0.4645","0.4711","","","","","","2.168","","","","has coordinates","271760","2022-01-03","22:06:49",""
"4519266","8.5009","0.0001","21.4939","0.0003","25.0055","0.0003","65.639","0.001","83.81","0.001","82.195","0.001","4116.79","0.1","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H20 O8 S4 -","- C50 H20 O8 S4 -","- C100 H40 O16 S8 -","2","1","","Kirlikovali, Kent O.; Goswami, Subhadip; Mian, Mohammad Rasel; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Hupp, Joseph T.; Li, Peng; Farha, Omar K.","An Electrically Conductive Tetrathiafulvalene-Based Hydrogen-Bonded Organic Framework","ACS Materials Letters","2021","4","1","128","135","10.1021/acsmaterialslett.1c00628","","","1.54184","CuKα","","0.1126","0.1013","","","0.3121","0.3287","","","","","","1.381","","","","has coordinates","271761","2022-01-03","22:07:14",""
"5000134","6.252","0.002","12.592","0.003","22.488","0.002","90","","90","","90","","1770.37","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","1","","Foresti Serantoni, E.; Krajewski, A.; Mongiorgi, R.; Riva di Sanseverino, L.; R., Cameroni","","Crystal Structure Communications","1975","4","","189","","","","","","","","","","","","","","","","","","","","","","","has coordinates","175389","2020-10-21","18:00:00",""
"5000304","6.4814","0.0002","10.6477","0.0004","13.9211","0.0005","98.761","0.001","91.012","0.001","104.237","0.001","918.83","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Cr O5 Si -","- C17 H22 Cr O5 Si -","- C34 H44 Cr2 O10 Si2 -","2","1","","Moser, William H.; Zhang, Jian; Lecher, Carl S.; Frazier, Tracy L.; Pink, Maren","Stereocontrolled [3 + 2] Annulations with Arene Chromium Tricarbonyl Complexes: Construction of Spirocyclic Compounds Related to Fredericamycin A","Organic Letters","2002","4","12","1981","1984","10.1021/ol025729m","","","0.71073","MoKα","","0.0487","0.0353","","","0.0877","0.0942","","","","","","1.02","","","","has coordinates","178217","2020-10-21","18:00:00",""
"5000387","10.3321","0.0007","15.171","0.0011","21.4033","0.0015","90","","90.204","0.001","90","","3354.91","","","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","fac-Tricarbonyl-(propylcarbonato-O)-(1,3-bis(diphenylphosphino)propane-P,P')-r henium(i)","","- C34 H33 O6 P2 Re -","- C36 H40 O6 P2 Re -","- C144 H160 O24 P8 Re4 -","4","1","","K.Johnson; T.Frazier; T.M.Becker; K.Miller; D.M.Ho; J.A.Krause-Bauer; S.K.Mandal","","Inorganic Chemistry Communications","2001","4","","602","","10.1016/S1387-7003(01)00281-7","","","","","","","3.31","","","3.31","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5900008","6.13","","11.53","","4.18","","90","","90","","90","","295.44","","","","","","","","","","","","","3","I b a m","","72","","Dimethylberyllium","","- C2 H6 Be -","- C2 H6 Be -","- C8 H24 Be4 -","4","0.25","","Snow, A. I.; Rundle, R. E.","The structure of dimethylberyllium","Acta Crystallographica","1951","4","4","348","352","10.1107/S0365110X51001100","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5910002","7.01","","12.6","","15.6","","90","","108.4","","90","","1307.44","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","antimony pentachloride-tetrasulfotetrimide","","- Cl5 N4 S4 Sb -","- Cl80 N64 S64 Sb16 -","- Cl80 N64 S64 Sb16 -","","","","Wyckoff, R. W. G.","Pages 110 & 111 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","110","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910040","14.53","","14.24","","8.02","","90","","90","","90","","1659.4","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Cl10 O2 P2 Sn -","- Cl256 O32 P32 Sn16 -","- Cl256 O32 P32 Sn16 -","","","","Wyckoff, R. W. G.","Pages 116 & 117 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","116","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910055","9.193","","9.193","","4.299","","90","","90","","90","","363.314","","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- F4 N4 S4 -","- F64 N64 S64 -","- F64 N64 S64 -","","","","Wyckoff, R. W. G.","Page 104 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","104","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910058","5.49","","11.14","","6.05","","90","","98.42","","90","","366.021","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Tri thiazyl chloride","","- Cl3 N3 S3 -","- Cl12 N20 S20 -","- Cl12 N20 S20 -","","","","Wyckoff, R. W. G.","Pages 103 & 104 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951.","The Structure of Crystals","1951","4","","103","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910084","9.24","","9.24","","16.26","","90","","95.34","","90","","1382.21","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cl8 O2 Se2 Sn -","- Cl256 O64 Se64 Sn16 -","- Cl256 O64 Se64 Sn16 -","","","","Wyckoff, R. W. G.","Pages 118 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","118","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910094","7.97","","12.19","","6.75","","90","","90","","90","","655.792","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- H4 N4 S4 -","- N32 S128 -","- N32 S128 -","","","","Wyckoff, R. W. G.","Page 105 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","105","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910162","6.546","","8.6","","5.508","","90","","102.22","","90","","303.05","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Cl2 N2 S3 -","- Cl8 N8 S12 -","- Cl8 N8 S12 -","","","","Wyckoff, R. W. G.","Pages 101 & 102 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","101","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910165","8.811","","8.811","","8.811","","90","","90","","90","","684.031","","","","","","","","","","","","","4","P -4 3 m","P -4 2 3","215","","","","- C12 Ni4 O18 P4 -","- Ni16 O276 P16 -","- Ni16 O276 P16 -","","","","Wyckoff, R. W. G.","Pages 91 & 92 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","91","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910179","6.63","","7.85","","11.46","","83.2","","76.9","","78.25","","567.112","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C2 Fe2 O6 S2 -","- C24 Fe8 O24 S8 -","- C24 Fe8 O24 S8 -","","","","Wyckoff, R. W. G.","Pages 35 & 36 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","35","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910183","13.99","","4.12","","17.84","","90","","116","","90","","924.209","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B3 Br3 S3 -","- B48 Br48 S48 -","- B48 Br48 S48 -","","","","Wyckoff, R. W. G.","Pages 11 & 12 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","11","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910188","8.5621","","8.5621","","11.5288","","90","","90","","90","","845.171","","","","","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- Cl2 K5 Na O12 S4 -","- Cl16 K68 Na4 O320 S64 -","- Cl16 K68 Na4 O320 S64 -","","","","Wyckoff, R. W. G.","Pages 48-51 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","48","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910192","3.949","","10.192","","14.721","","90","","90","","90","","592.494","","","","","","","","","","","","","4","A m m 2","A 2 -2","38","","","","- F Na Nb6 O15 -","- Na4 Nb20 O16 -","- Na4 Nb20 O16 -","","","","Wyckoff, R. W. G.","Pages 79 & 80 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","79","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910201","3.226","","3.226","","31.7","","90","","90","","120","","285.706","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- C3 Al7 N3 -","- C10 Al28 N12 -","- C10 Al28 N12 -","","","","Wyckoff, R. W. G.","Pages 9 & 10 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","9","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910205","10.1","","10.1","","10.1","","90","","90","","90","","1030.3","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","sulfohalite","","- Cl F Na6 O8 S2 -","- Cl4 F4 Na144 O256 S16 -","- Cl4 F4 Na144 O256 S16 -","","","","Wyckoff, R. W. G.","Page 82 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","82","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910209","11.62","","5.49","","8.44","","90","","97.42","","90","","533.911","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","sodium tridecafluoro dizirconate","","- F13 Na5 Zr2 -","- F196 Na36 Zr16 -","- F196 Na36 Zr16 -","","","","Wyckoff, R. W. G.","Page 84 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","84","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910213","9.57","","5.5","","12.95","","90","","90","","90","","681.623","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","sodium molybdenum bronze","","- Mo6 Na0.9 O17 -","- Mo48 Na4 O200 -","- Mo48 Na4 O200 -","","","","Wyckoff, R. W. G.","Pages 78 &79 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","78","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910214","9.613","","9.613","","9.613","","90","","90","","90","","888.335","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Ga Li3 N2 -","- Ga256 Li384 N128 -","- Ga256 Li384 N128 -","","","","Wyckoff, R. W. G.","Pages 57 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","57","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910216","10.706","","8.852","","10.663","","90","","109.45","","90","","952.859","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Cl4 Co5 Mo4 Na2 O16 -","- Cl64 Co68 Mo24 Na16 O192 -","- Cl64 Co68 Mo24 Na16 O192 -","","","","Wyckoff, R. W. G.","Page 75 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","75","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910217","3.086","","17.35","","3.047","","90","","90","","90","","163.143","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- C B Mo2 -","- C16 B16 Mo32 -","- C16 B16 Mo32 -","","","","Wyckoff, R. W. G.","Page 64 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","64","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910218","9.48","","9.48","","9.48","","90","","90","","90","","851.971","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Al Li3 N2 -","- Al128 Li384 N128 -","- Al128 Li384 N128 -","","","","Wyckoff, R. W. G.","Page 57 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","57","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910220","22.4","","3.834","","15.37","","90","","91.47","","90","","1319.57","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Na Nb13 O33 -","- Na4 Nb100 O260 -","- Na4 Nb100 O260 -","","","","Wyckoff, R. W. G.","Pages 80 & 81 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","80","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910227","5.277","","5.277","","9.157","","90","","90","","120","","220.83","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","potassium iodo diarsenite","","- As4 I K O6 -","- As16 I K O36 -","- As16 I K O36 -","","","","Wyckoff, R. W. G.","Pages 40 & 41 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","40","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910229","11.92","","7.71","","5.83","","90","","99.4","","90","","528.601","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl4 Cs2 O2 U -","- Cl64 Cs16 O16 U4 -","- Cl64 Cs16 O16 U4 -","","","","Wyckoff, R. W. G.","Page 27 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","27","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910240","9.9","","9.808","","6.39","","90","","103.3","","90","","603.822","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Br4 Cs2 O2 U -","- Br32 Cs16 O16 U4 -","- Br32 Cs16 O16 U4 -","","","","Wyckoff, R. W. G.","Page 27 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","27","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910260","6.667","","6.667","","10.054","","90","","90","","120","","387.017","","","","","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Hg2 I Na O2 -","- Hg36 I12 Na9 O36 -","- Hg36 I12 Na9 O36 -","","","","Wyckoff, R. W. G.","Pages 76 & 77 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","76","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910265","5.29","","5.29","","9.11","","90","","90","","120","","220.78","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","soium iodo diarsenite","","- As4 I Na O6 -","- As16 I Na O36 -","- As16 I Na O36 -","","","","Wyckoff, R. W. G.","Pages 40, 41 & 42 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","40","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910270","9.414","","9.492","","6.227","","90","","100.18","","90","","547.671","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B H9 N3 P -","- B16 H144 N48 P16 -","- B16 H144 N48 P16 -","","","","Wyckoff, R. W. G.","Pages 68 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","68","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910271","5.26","","5.26","","8.97","","90","","90","","120","","214.929","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- As4 Br K O6 -","- As16 Br K O36 -","- As16 Br K O36 -","","","","Wyckoff, R. W. G.","Pages 40, 41 & 42 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","40","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910281","9.607","","9.607","","5.508","","90","","90","","120","","440.251","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","potassium rhenium hydride","","- H9 K2 Re -","- H225 K18 Re5 -","- H225 K18 Re5 -","","","","Wyckoff, R. W. G.","Pages 51 & 52 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","51","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910298","14.023","","14.023","","14.023","","90","","90","","90","","2757.55","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Be17 Ca12 O29 -","- Be260 Ca96 O404 -","- Be260 Ca96 O404 -","","","","Wyckoff, R. W. G.","Page 22 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","22","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910313","6.57","","6.57","","18.62","","90","","90","","90","","803.73","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- Be F12 Li6 Zr -","- Be8 F384 Li160 Zr8 -","- Be8 F384 Li160 Zr8 -","","","","Wyckoff, R. W. G.","Pages 57 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","57","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910335","11.58","","10.81","","9.14","","90","","112","","90","","1060.83","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Ba K2 O12 S12 -","- Ba4 K8 O96 S96 -","- Ba4 K8 O96 S96 -","","","","Wyckoff, R. W. G.","Pages 42 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","42","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910344","7.552","","11.54","","10.078","","90","","90","","90","","878.299","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","alpha-sulfanuric chloride","","- Cl3 N3 O3 S3 -","- Cl48 N80 O80 S80 -","- Cl48 N80 O80 S80 -","","","","Wyckoff, R. W. G.","Pages 108 & 109 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","108","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"7112497","12.104","0.005","16.437","0.005","27.634","0.005","90","0.005","90","0.005","90","0.005","5498","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 Cu2 N2 O10 -","- C24 H34 Cu2 N2 O10 -","- C192 H272 Cu16 N16 O80 -","8","2","","Arjmand, Farukh; Muddassir, Mohd; Zaidi, Yusra; Ray, Debashis","Design, synthesis and crystal structure determination of dinuclear copper-based potential chemotherapeutic drug entities; in vitro DNA binding, cleavage studies and an evaluation of genotoxicity by micronucleus test and comet assay","MedChemComm","2013","4","2","394","","10.1039/c2md20141k","","","0.71069","MoKα","","0.0975","0.0628","","","0.1443","0.1886","","","","","","1.069","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112498","5.4814","0.0002","15.0113","0.0006","18.9143","0.0007","90","","90.881","0.002","90","","1556.14","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 Cl N2 O3 -","- C15 H21 Cl N2 O3 -","- C60 H84 Cl4 N8 O12 -","4","1","","Cojocaru, O. Andreea; Bica, Katharina; Gurau, Gabriela; Narita, Asako; McCrary, Parker D.; Shamshina, Julia L.; Barber, Patrick S.; Rogers, Robin D.","Prodrug ionic liquids: functionalizing neutral active pharmaceutical ingredients to take advantage of the ionic liquid form","MedChemComm","2013","4","3","559","","10.1039/c3md20359j","","","0.71073","MoKα","","0.0417","0.0306","","","0.0695","0.0749","","","","","","1.018","","","","has coordinates","301857","2025-08-21","22:47:15",""
"7112499","9.5949","0.0007","14.3513","0.001","17.5913","0.0013","90","","102.694","0.001","90","","2363.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H37 Cl N O3 P -","- C22 H37 Cl N O3 P -","- C88 H148 Cl4 N4 O12 P4 -","4","1","","Cojocaru, O. Andreea; Bica, Katharina; Gurau, Gabriela; Narita, Asako; McCrary, Parker D.; Shamshina, Julia L.; Barber, Patrick S.; Rogers, Robin D.","Prodrug ionic liquids: functionalizing neutral active pharmaceutical ingredients to take advantage of the ionic liquid form","MedChemComm","2013","4","3","559","","10.1039/c3md20359j","","","0.71073","MoKα","","0.0602","0.0462","","","0.1105","0.1192","","","","","","1.03","","","","has coordinates","301857","2025-08-21","22:47:15",""
"7112500","9.795","0.0002","14.728","0.0003","10.036","0.0002","90","","107.768","0.001","90","","1378.74","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N4 S -","- C15 H14 N4 S -","- C60 H56 N16 S4 -","4","1","","Ciupa, Alexander; De Bank, Paul A.; Mahon, Mary F.; Wood, Pauline J.; Caggiano, Lorenzo","Synthesis and antiproliferative activity of some 3-(pyrid-2-yl)-pyrazolines","MedChemComm","2013","4","6","956","","10.1039/c3md00077j","","","0.71073","MoKα","","0.0608","0.0392","","","0.0883","0.0979","","","","","","1.026","","","","has coordinates","301857","2025-08-21","22:47:15",""
"7112501","6.977","0.0001","22.095","0.0002","26.601","0.0003","90","","90","","90","","4100.73","0.08","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N3 O4 -","- C24 H23 N3 O4 -","- C192 H184 N24 O32 -","8","1","","Ciupa, Alexander; De Bank, Paul A.; Mahon, Mary F.; Wood, Pauline J.; Caggiano, Lorenzo","Synthesis and antiproliferative activity of some 3-(pyrid-2-yl)-pyrazolines","MedChemComm","2013","4","6","956","","10.1039/c3md00077j","","","0.71073","MoKα","","0.0649","0.0422","","","0.0882","0.0991","","","","","","1.051","","","","has coordinates","301857","2025-08-21","22:47:15",""
"7112502","9.77","0.0002","9.7877","0.0003","12.2436","0.0005","88.65","0.003","87.135","0.003","75.316","0.002","1131.08","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Au N2 O S -","- C26 H27 Au N2 O S -","- C52 H54 Au2 N4 O2 S2 -","2","1","","Rubbiani, Riccardo; Schuh, Esther; Meyer, Andreas; Lemke, Jessika; Wimberg, Jan; Metzler-Nolte, Nils; Meyer, Franc; Mohr, Fabian; Ott, Ingo","TrxR inhibition and antiproliferative activities of structurally diverse gold N-heterocyclic carbene complexes","MedChemComm","2013","4","6","942","","10.1039/c3md00076a","","","0.7107","MoKα","","0.0365","0.0315","","","0.0631","0.0652","","","","","","1.107","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112503","7.2598","0.0002","10.0853","0.0003","12.2011","0.0003","101.01","0.001","93.643","0.002","100.482","0.001","857.77","0.04","296","2","296","2","","","","","","","synthetised","5","P -1","-P 1","2","","6,7-dimethoxy-1-methyl-1,4-dihydroindeno[1,2-<i>c</i>]pyrazol-4-amine dihydrochloride","","- C13 H21 Cl2 N3 O4 -","- C13 H21 Cl2 N3 O4 -","- C26 H42 Cl4 N6 O8 -","2","1","","Genest, David; Rochais, Christophe; Lecoutey, Cédric; Oliveira Santos, Jana Sopkova-de; Ballandonne, Céline; Butt-Gueulle, Sabrina; Legay, Remi; Since, Marc; Dallemagne, Patrick","Design, synthesis and biological evaluation of novel indano- and thiaindano-pyrazoles with potential interest for Alzheimer's disease","MedChemComm","2013","4","6","925","","10.1039/c3md00041a","","","0.71073","MoKα","","0.0647","0.0422","","","0.1214","0.1372","","","","","","1.016","","","","has coordinates","301857","2025-08-21","22:47:15",""
"7112504","6.7601","0.0002","8.9249","0.0003","22.5441","0.0005","90","","97.265","0.002","90","","1349.24","0.07","296","2","296","2","","","","","","","synthetised","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-{(5E)-5-[(dimethylamino)methylene]-6-oxo-5,6-dihydro-4<i>H</i>-cyclopenta[<i>b</i>]thien-4-yl}-2.2,2-trifluoroacetamide","","- C12 H11 F3 N2 O2 S -","- C12 H11 F3 N2 O2 S -","- C48 H44 F12 N8 O8 S4 -","4","1","","Genest, David; Rochais, Christophe; Lecoutey, Cédric; Oliveira Santos, Jana Sopkova-de; Ballandonne, Céline; Butt-Gueulle, Sabrina; Legay, Remi; Since, Marc; Dallemagne, Patrick","Design, synthesis and biological evaluation of novel indano- and thiaindano-pyrazoles with potential interest for Alzheimer's disease","MedChemComm","2013","4","6","925","","10.1039/c3md00041a","","","0.71073","MoKα","","0.0743","0.0465","","","0.1115","0.1259","","","","","","1.052","","","","has coordinates,has disorder","301857","2025-08-21","22:47:15",""
"7112505","23.812","0.007","6.666","0.0007","18.297","0.004","90","","123.79","0.03","90","","2413.7","1.2","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H34 N O6 Si -","- C22 H34 N O6 Si -","- C88 H136 N4 O24 Si4 -","4","1","","Wang, Jen-Tsung; Lin, Ting-Chien; Chen, Ying-Hsuan; Lin, Chun-Hung; Fang, Jim-Min","Polyhydroxylated pyrrolidine and 2-oxapyrrolizidine as glycosidase inhibitors","MedChemComm","2013","4","5","783","","10.1039/c3md00033h","","","1.54178","CuKα","","0.0612","0.0575","","","0.1555","0.1659","","","","","","1.034","","","","has coordinates,has disorder","180239","2020-10-21","18:00:00",""
"7112506","7.929","0.004","12.53","0.004","12.977","0.008","90","","90","","90","","1289.3","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Cl N2 O -","- C14 H15 Cl N2 O -","- C56 H60 Cl4 N8 O4 -","4","1","","Masciocchi, Daniela; Gelain, Arianna; Porta, Federica; Meneghetti, Fiorella; Pedretti, Alessandro; Celentano, Giuseppe; Barlocco, Daniela; Legnani, Laura; Toma, Lucio; Kwon, Byoung-Mog; Asai, Akira; Villa, Stefania","Synthesis, structure–activity relationships and stereochemical investigations of new tricyclic pyridazinone derivatives as potential STAT3 inhibitors","MedChemComm","2013","4","8","1181","","10.1039/c3md00095h","","","0.71073","MoKα","","0.0948","0.041","","","0.088","0.1029","","","","","","0.949","","","","has coordinates","301857","2025-08-21","22:47:15",""
"7112507","16.0735","0.0005","7.0772","0.0002","18.7585","0.0006","90","","113.351","0.001","90","","1959.1","0.1","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H43 Cl O17 -","- C37 H43 Cl O17 -","- C74 H86 Cl2 O34 -","2","1","","Mascitti, Vincent; Thuma, Benjamin A.; Smith, Aaron C.; Robinson, Ralph P.; Brandt, Thomas; Kalgutkar, Amit S.; Maurer, Tristan S.; Samas, Brian; Sharma, Raman","On the importance of synthetic organic chemistry in drug discovery: reflections on the discovery of antidiabetic agent ertugliflozin","MedChemComm","2013","4","1","101","","10.1039/c2md20163a","","","1.54178","CuKα","","0.0537","0.0418","","","0.1062","0.1152","","","","","","1.036","","","","has coordinates,has disorder","301857","2025-08-21","22:47:15",""
"7112508","12.3996","0.0003","8.7715","0.0002","18.6699","0.0004","90","","104.088","0.001","90","","1969.52","0.08","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","1","","Schmid, Fabian; Jessen, Henning J.; Burch, Patrick; Gademann, Karl","Truncated militarinone fragments identified by total chemical synthesis induce neurite outgrowth","MedChemComm","2013","4","1","135","","10.1039/c2md20181j","","","0.71073","MoKα","","0.0841","0.043","","0.1019","0.0459","0.0438","","","","","","1.0758","","","","has coordinates","301857","2025-08-21","22:47:15",""
"7112509","7.2983","0.0002","9.2081","0.0003","12.3051","0.0005","107.988","0.002","96.327","0.002","107.403","0.001","731.59","0.05","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C32 H34 N2 O10 -","2","1","","Schmid, Fabian; Jessen, Henning J.; Burch, Patrick; Gademann, Karl","Truncated militarinone fragments identified by total chemical synthesis induce neurite outgrowth","MedChemComm","2013","4","1","135","","10.1039/c2md20181j","","","0.71073","MoKα","","0.0451","0.0406","","0.0587","0.0453","0.0422","","","","","","1.0968","","","","has coordinates","301857","2025-08-21","22:47:15",""
"7112510","11.3216","0.0005","7.0251","0.0003","18.4969","0.0008","90","","92.747","0.003","90","","1469.47","0.11","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","","Schmid, Fabian; Jessen, Henning J.; Burch, Patrick; Gademann, Karl","Truncated militarinone fragments identified by total chemical synthesis induce neurite outgrowth","MedChemComm","2013","4","1","135","","10.1039/c2md20181j","","","0.71073","MoKα","","0.1271","0.0517","","0.1295","0.0507","0.0466","","","","","","1.0906","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112511","5.1885","0.0005","11.4587","0.001","21.469","0.002","75.373","0.005","86.058","0.005","83.124","0.004","1225.2","0.2","200","","","","","","","","","","Local laboratory at SBBG","5","P -1","-P 1","2","AZ12408627 acetic acid solvate, Analysis Report AZ SBBG: 2005-39-301, DGAT1 project","(trans-4-{4-[({5-[(2,4,5-trifluorophenyl)amino]-1,3,4-oxadiazol-2-yl} carbonyl)amino]phenyl}cyclohexyl)acetic acid","","- C25 H25 F3 N4 O6 -","- C25 H25 F3 N4 O6 -","- C50 H50 F6 N8 O12 -","2","1","","Plowright, Alleyn T.; Barton, Peter; Bennett, Stuart; Birch, Alan M.; Birtles, Susan; Buckett, Linda K.; Butlin, Roger J.; Davies, Robert D. M.; Ertan, Anne; Gutierrez, Pablo Morentin; Kemmitt, Paul D.; Leach, Andrew G.; Svensson, Per H.; Turnbull, Andrew V.; Waring, Michael J.","Design and synthesis of a novel series of cyclohexyloxy-pyridyl derivatives as inhibitors of diacylglycerol acyl transferase 1","MedChemComm","2013","4","1","151","","10.1039/c2md20187a","","","0.71073","MoKα","","0.1104","0.0525","","","0.1206","0.1412","","","","","","0.922","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112512","29.7773","0.0014","6.32","0.0003","23.2587","0.0011","90","","100.671","0.003","90","","4301.4","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(6-fluoro-5-(5-(2,4,5- trifluorophenylamino)-1,3,4-oxadiazole-2- carboxamido)pyridin-2-yloxy)cyclo- hexanecarboxylic acid","","- C21 H17 F4 N5 O5 -","- C21 H17 F4 N5 O5 -","- C168 H136 F32 N40 O40 -","8","1","","Plowright, Alleyn T.; Barton, Peter; Bennett, Stuart; Birch, Alan M.; Birtles, Susan; Buckett, Linda K.; Butlin, Roger J.; Davies, Robert D. M.; Ertan, Anne; Gutierrez, Pablo Morentin; Kemmitt, Paul D.; Leach, Andrew G.; Svensson, Per H.; Turnbull, Andrew V.; Waring, Michael J.","Design and synthesis of a novel series of cyclohexyloxy-pyridyl derivatives as inhibitors of diacylglycerol acyl transferase 1","MedChemComm","2013","4","1","151","","10.1039/c2md20187a","","","0.71073","MoKα","","0.0924","0.0429","","","0.1071","0.1372","","","","","","1.016","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112513","5.2885","0.0007","11.2227","0.0015","16.881","0.002","85.165","0.006","83.895","0.006","76.853","0.005","968.2","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","tetrahydrofuran-3-yl 4-(5-((3-cyanopyridin-4-yl) methoxy)pyrimidin-2-yl)piperazine-1-carboxylate","","- C20 H22 N6 O4 -","- C20 H22 N6 O4 -","- C40 H44 N12 O8 -","2","1","","Scott, James S.; Birch, Alan M.; Brocklehurst, Katy J.; Brown, Hayley S.; Goldberg, Kristin; Groombridge, Sam D.; Hudson, Julian A.; Leach, Andrew G.; MacFaul, Philip A.; McKerrecher, Darren; Poultney, Ruth; Schofield, Paul; Svensson, Per H.","Optimisation of aqueous solubility in a series of G protein coupled receptor 119 (GPR119) agonists","MedChemComm","2013","4","1","95","","10.1039/c2md20130e","","","0.71073","MoKα","","0.0742","0.0549","","","0.1402","0.1478","","","","","","1.066","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7150384","11.234","0.0002","16.394","0.0002","20.993","0.0003","90","","90","","90","","3866.28","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H53 N5 O6 S -","- C38 H53 N5 O6 S -","- C152 H212 N20 O24 S4 -","4","1","","Nyangulu, James M.; Nelson, Ken M.; Rose, Patricia A.; Gai, Yuanzhu; Loewen, Mary; Lougheed, Brenda; Quail, J. Wilson; Cutler, Adrian J.; Abrams, Suzanne R.","Synthesis and biological activity of tetralone abscisic acid analogues.","Organic & biomolecular chemistry","2006","4","7","1400","1412","10.1039/b509193d","","","0.71073","MoKα","","0.0541","0.042","","","0.0932","0.0992","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150385","14.7325","0.0004","15.2366","0.0002","19.0213","0.0003","90","","90","","90","","4269.77","0.15","293","","293.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C93 H82 Cl4 Cu2 N4 O8 -","- C93 H82 Cl4 Cu2 N4 O8 -","- C186 H164 Cl8 Cu4 N8 O16 -","2","0.5","","Lyle, Michael P. A.; Draper, Neil D.; Wilson, Peter D.","Synthesis and evaluation of new chiral nonracemic C2-symmetric and unsymmetric 2,2'-bipyridyl ligands.","Organic & biomolecular chemistry","2006","4","5","877","885","10.1039/b513286j","","","1.5418","Copper","","0.0658","0.0532","","0.1033","0.075","0.075","","","","","","0.6013","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150386","13.47","0.05","10.86","0.04","21.4","0.1","90","","90","","90","","3130","2","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C152 H144 O32 -","8","1","","Cousin, David; Mann, John; Nieuwenhuyzen, Mark; van den Berg, Hendrik","A new approach to combretastatin D2.","Organic & biomolecular chemistry","2006","4","1","54","62","10.1039/b513515j","","","0.71073","MoKα","","0.3103","0.1041","","","0.2006","0.2935","","","","","","0.843","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150387","16.6913","0.0012","13.6741","0.0007","15.0144","0.0009","90","","91.6","0.008","90","","3425.5","0.4","200","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 F6 N3 O2 P -","- C36 H42 F6 N3 O2 P -","- C144 H168 F24 N12 O8 P4 -","4","1","","Mobian, Pierre; Banerji, Natalie; Bernardinelli, Gérald; Lacour, Jérôme","Towards the stereoselective synthesis of inherently chiral pseudorotaxanes.","Organic & biomolecular chemistry","2006","4","2","224","231","10.1039/b513562a","","","0.71073","MoKα","","","0.042","","","","0.037","","","","","","1.03","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150388","12.902","0.003","12.479","0.003","15.918","0.004","90","","100.206","0.004","90","","2522.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 N9 O2 -","- C27 H25 N9 O2 -","- C108 H100 N36 O8 -","4","1","","Zhao, Jun-Feng; Xie, Chang; Xu, Sheng-Zhen; Ding, Ming-Wu; Xiao, Wen-Jing","Iminophosphorane-mediated efficient synthesis of new tricyclic 3,5-dihydro-1,2,3-triazolo[4,5-d]-1,2,4-triazolo[1,5-a]pyrimidin-9-ones.","Organic & biomolecular chemistry","2006","4","1","130","134","10.1039/b513715b","","","0.71073","MoKα","","0.1382","0.0738","","","0.1508","0.1785","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150389","12.895","0.003","9.91","0.002","13.175","0.003","90","","90.54","0.03","90","","1683.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl2 N O3 -","- C19 H13 Cl2 N O3 -","- C76 H52 Cl8 N4 O12 -","4","1","","Zhang, Min; An, Hui-Ying; Zhao, Bao-Guo; Xu, Jian-Hua","Aromatic annulation strategy for naphthalenes fused at 1,2- and 3,4-positions with two heterocycles.","Organic & biomolecular chemistry","2006","4","1","33","35","10.1039/b514496e","","","0.71073","MoKα","","0.0926","0.0536","","","0.1931","0.2266","","","","","","1.004","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150390","9.526","0.0019","18.319","0.004","7.942","0.0016","90","","96.25","0.03","90","","1377.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 N O3 -","- C19 H11 N O3 -","- C76 H44 N4 O12 -","4","1","","Zhang, Min; An, Hui-Ying; Zhao, Bao-Guo; Xu, Jian-Hua","Aromatic annulation strategy for naphthalenes fused at 1,2- and 3,4-positions with two heterocycles.","Organic & biomolecular chemistry","2006","4","1","33","35","10.1039/b514496e","","","0.71073","MoKα","","0.1278","0.0551","","","0.1188","0.1572","","","","","","1","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150391","10.5068","0.0003","12.0843","0.0003","21.5489","0.0007","90","","102.703","0.001","90","","2669.04","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 B2 F8 N6 O12 -","- C48 H58 B2 F8 N6 O12 -","- C96 H116 B4 F16 N12 O24 -","2","0.5","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1768","0.0824","","","0.21","0.2529","","","","","","0.939","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150392","12.2482","0.0007","37.03","0.002","13.0751","0.0007","90","","111.498","0.002","90","","5517.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H62 B2 F8 N6 O12 -","- C56 H62 B2 F8 N6 O12 -","- C224 H248 B8 F32 N24 O48 -","4","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1529","0.1121","","","0.2105","0.2335","","","","","","1.157","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150393","11.67","0.0009","13.1966","0.001","17.1182","0.0013","91.475","0.002","96.658","0.002","91.858","0.002","2616","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H60 B2 F8 N4 O12 -","- C50 H60 B2 F8 N4 O12 -","- C100 H120 B4 F16 N8 O24 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.0938","0.0713","","","0.1957","0.2168","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150394","12.3959","0.0008","19.1294","0.0012","12.9148","0.0008","90","","112.855","0.001","90","","2822","0.3","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C58 H64 B2 F8 N4 O12 -","- C58 H64 B2 F8 N4 O12 -","- C116 H128 B4 F16 N8 O24 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1284","0.095","","","0.2081","0.2236","","","","","","1.117","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150395","13.2421","0.0004","15.7037","0.0005","12.1739","0.0004","90","","94.909","0.001","90","","2522.28","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H60 B2 F8 N4 O12 -","- C46 H60 B2 F8 N4 O12 -","- C92 H120 B4 F16 N8 O24 -","2","0.5","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1625","0.094","","","0.2672","0.3025","","","","","","1.045","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150396","9.3357","0.0001","22.4319","0.0003","25.0932","0.0002","90","","90","","90","","5254.95","0.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H60 B2 F8 N4 O16 -","- C44 H60 B2 F8 N4 O16 -","- C176 H240 B8 F32 N16 O64 -","4","0.5","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1786","0.1437","","","0.2894","0.3084","","","","","","1.293","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150397","10.4924","0.0006","16.5364","0.001","10.7738","0.0006","90","","96.584","0.001","90","","1857","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H50 B2 F8 N2 O10 -","- C30 H50 B2 F8 N2 O10 -","- C60 H100 B4 F16 N4 O20 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.0891","0.0807","","","0.2265","0.2357","","","","","","1.083","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150398","17.433","0.005","20.012","0.005","19.631","0.005","90","","93.572","0.004","90","","6835","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 B2 F8 N2 O8 -","- C28 H46 B2 F8 N2 O8 -","- C224 H368 B16 F64 N16 O64 -","8","2","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1374","0.0684","","","0.1509","0.1851","","","","","","1.024","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150399","13.598","0.002","16.807","0.003","17.859","0.003","87.625","0.003","87.329","0.003","70.059","0.002","3831.2","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H82 B4 F16 N8 O9 -","- C76 H82 B4 F16 N8 O9 -","- C152 H164 B8 F32 N16 O18 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1889","0.1039","","","0.2836","0.3487","","","","","","1.039","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150400","7.332","0.0014","8.9703","0.0018","14.588","0.003","73.464","0.004","84.582","0.003","77.268","0.003","896.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C42 H54 N2 O4 -","2","1","","Betson, Mark S.; Clayden, Jonathan; Helliwell, Madeleine; Johnson, Paul; Lai, Lai Wah; Pink, Jennifer H.; Stimson, Christopher C.; Vassiliou, Neoclis; Westlund, Neil; Yasin, Samreen A.; Youssef, Latifa H.","Conformational preference in aromatic amides bearing chiral ortho substituents: its origin and application to relayed stereocontrol.","Organic & biomolecular chemistry","2006","4","3","424","443","10.1039/b514557k","","","0.71073","MoKα","","0.0658","0.0405","","","0.0814","0.0875","","","","","","0.892","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150401","10.547","0.008","12.605","0.005","12.023","0.004","90","","96.44","0.04","90","","1588.3","1.5","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H45 N3 O3 -","- C31 H45 N3 O3 -","- C62 H90 N6 O6 -","2","1","","Betson, Mark S.; Clayden, Jonathan; Helliwell, Madeleine; Johnson, Paul; Lai, Lai Wah; Pink, Jennifer H.; Stimson, Christopher C.; Vassiliou, Neoclis; Westlund, Neil; Yasin, Samreen A.; Youssef, Latifa H.","Conformational preference in aromatic amides bearing chiral ortho substituents: its origin and application to relayed stereocontrol.","Organic & biomolecular chemistry","2006","4","3","424","443","10.1039/b514557k","","","1.5418","CuKα","","0.0981","0.05","","","0.1283","0.1645","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150402","14.361","0.003","7.2093","0.0013","31.922","0.005","90","","92.459","0.014","90","","3301.9","1","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H45 N3 O3 -","- C35 H45 N3 O3 -","- C140 H180 N12 O12 -","4","1","","Clayden, Jonathan; Foricher, Yann J. Y.; Helliwell, Madeleine; Johnson, Paul; Mitjans, David; Vinader, Victoria","Conformational arm-wrestling: battles for stereochemical control in benzamides bearing matched and mismatched chiral 2- and 6-substituents.","Organic & biomolecular chemistry","2006","4","3","444","454","10.1039/b514558a","","","1.5418","CuKα","","0.0858","0.0486","","","0.1245","0.1425","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150403","7.626","0.004","20.455","0.004","19.1","0.006","90","","93.27","0.04","90","","2974.6","1.9","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 N3 O2 -","- C33 H45 N3 O2 -","- C132 H180 N12 O8 -","4","1","","Clayden, Jonathan; Westlund, Neil; Frampton, Christopher S.; Helliwell, Madeleine","Diastereoselective synthesis of atropisomers containing two non-biaryl stereogenic axes: stereochemical relay through stereogenic centres in dihydrostilbene-2,2'-dicarboxamides.","Organic & biomolecular chemistry","2006","4","3","455","461","10.1039/b514561a","","","1.5418","CuKα","","0.0733","0.0396","","0.0374","0.0339","","","","1.773","1.986","1.986","","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150404","15.179","0.003","7.728","0.002","28.337","0.006","90","","90","","90","","3324","1.3","123","1","123","1","","","","","","","","4","P n a 21","P 2c -2n","33","RWX0315/Wilson/NW-G020/5107/25-9-98.","","","- C38 H51 N3 O2 -","- C37.5 H47 N2.5 O2 -","- C150 H188 N10 O8 -","4","1","","Clayden, Jonathan; Westlund, Neil; Frampton, Christopher S.; Helliwell, Madeleine","Diastereoselective synthesis of atropisomers containing two non-biaryl stereogenic axes: stereochemical relay through stereogenic centres in dihydrostilbene-2,2'-dicarboxamides.","Organic & biomolecular chemistry","2006","4","3","455","461","10.1039/b514561a","","","0.71073","MoKα","","0.0524","0.0442","","","0.1178","0.1249","","","","","","1.033","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150405","18.4408","0.0021","5.2153","0.0006","24.8543","0.0028","90","","98.765","0.002","90","","2362.4","0.5","20","","20","","","","","","","","Sigma Aldrich","4","C 1 2 1","C 2y","5","L-Alanyl-L-alanyl-L-alanine","L-Alanyl-L-alanyl-L-alanine","","- C9 H18 N3 O4.5 -","- C9 H18 N3 O4.25 -","- C72 H144 N24 O34 -","8","2","","Rödel, E; Messerschmidt, M.; Dittrich, B.; Luger, P.","Atomic and bond topological properties of the tripeptide L-alanyl-L-alanyl-L-alanine based on its experimental charge density obtained at 20 K.","Organic & biomolecular chemistry","2006","4","3","475","481","10.1039/b514717d","","x-ray","0.71073","MoKa","","0.0247","0.0183","","","","0.0153","","","","","","0.665","","","","has coordinates","192340","2020-10-21","18:00:00",""
"7150406","4.8305","0.0008","13.532","0.002","26.21","0.004","90","","90","","90","","1713.3","0.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 Se -","- C18 H19 N O3 Se -","- C72 H76 N4 O12 Se4 -","4","1","","Fenner, Tahli; White, Jonathan M.; Schiesser, Carl H.","Preparation of 2,3-dihydroselenolo[2,3-b]pyridines and related compounds by free-radical means.","Organic & biomolecular chemistry","2006","4","3","466","474","10.1039/b515385a","","","0.71073","MoKα","","0.0643","0.0408","","","0.0745","0.0791","","","","","","0.81","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150407","22.4722","0.0003","7.8727","0.0001","19.961","0.0002","90","","112.178","0.001","90","","3270.17","0.07","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 N O3 S -","- C16 H23 N O3 S -","- C128 H184 N8 O24 S8 -","8","1","","Cariou, Claire A. M.; Snaith, John S.","Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations.","Organic & biomolecular chemistry","2006","4","1","51","53","10.1039/b515547a","","","1.54178","CuKα","","0.0423","0.0392","","","0.1123","0.115","","","","","","1.09","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150408","8.4757","0.0001","19.208","0.0003","11.8021","0.0002","90","","97.964","0.001","90","","1902.87","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H27 N O3 S -","- C18 H27 N O3 S -","- C72 H108 N4 O12 S4 -","4","2","","Cariou, Claire A. M.; Snaith, John S.","Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations.","Organic & biomolecular chemistry","2006","4","1","51","53","10.1039/b515547a","","","1.54178","CuKα","","0.0413","0.0374","","","0.0998","0.1035","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150409","11.9328","0.0002","11.9328","0.0002","20.0477","0.0005","90","","90","","120","","2472.18","0.09","120","2","120","2","","","","","","","","5","P 63","P 6c","173","","","","- C47 H42 F18 N7 P3 -","- C46.99 H39 F18 N6.99 P3 -","- C93.98 H78 F36 N13.98 P6 -","2","0.333333","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.0479","0.0396","","","0.0949","0.0993","","","","","","1.068","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150410","11.1149","0.0015","30.678","0.003","15.2165","0.0019","90","","90.413","0.005","90","","5188.4","1.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 F18 N6 O4 P3 -","- C45 H45 F18 N6 O3 P3 -","- C180 H180 F72 N24 O12 P12 -","4","1","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.2538","0.1203","","","0.279","0.355","","","","","","1.015","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150411","9.8279","0.0002","30.0349","0.001","20.0581","0.0006","90","","99.28","0.002","90","","5843.3","0.3","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C60 H64 F12 N6 O7 P2 -","- C60 H64 F12 N6 O7 P2 -","- C240 H256 F48 N24 O28 P8 -","4","1","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.0681","0.0515","","","0.1123","0.121","","","","","","1.006","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150412","10.8286","0.0008","18.3316","0.0012","24.2103","0.0014","90","","100.766","0.003","90","","4721.3","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trisester","","","- C41 H50 Br3 Cl6 N3 O6 -","- C41 H50 Br3 Cl6 N3 O6 -","- C164 H200 Br12 Cl24 N12 O24 -","4","1","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.1347","0.0785","","","0.1575","0.1764","","","","","","1.036","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150413","10.6106","0.0004","12.4052","0.0005","20.5253","0.0005","82.503","0.002","78.979","0.002","72.937","0.002","2527.14","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H60 Br3 N6 O4.5 -","- C48 H60 Br3 N6 O4.5 -","- C96 H120 Br6 N12 O9 -","2","1","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.1047","0.074","","","0.1788","0.1982","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150414","16.07","0.02","8.501","0.008","17","0.03","90","","104.48","0.11","90","","2249","5","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 N3 O3 -","- C23 H31 N3 O3 -","- C92 H124 N12 O12 -","4","1","","Matsuhira, Takashi; Yamamoto, Hitoshi; Onoda, Akira; Okamura, Taka-Aki; Ueyama, Norikazu","Photoinduced switching of intramolecular hydrogen bond between amide NH and carboxyl oxygen.","Organic & biomolecular chemistry","2006","4","7","1338","1342","10.1039/b516049a","","","0.71075","MoKα","","0.1971","0.059","","","0.0875","0.1029","","","","","","0.858","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150415","5.104","0.0015","9.469","0.003","13.78","0.004","80.141","0.005","86.042","0.005","89.932","0.005","654.5","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","Boc-betaAla-NHMe","","","- C10 H20 N2 O3 -","- C10 H20 N2 O3 -","- C20 H40 N4 O6 -","2","2","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.0544","0.0494","","","0.1359","0.1403","","","","","","1.098","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150416","8.73","0.002","9.741","0.003","17.509","0.005","90","","90","","90","","1488.9","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-betaVal-NHMe","","","- C12 H24 N2 O3 -","- C12 H24 N2 O3 -","- C48 H96 N8 O12 -","4","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.0511","0.0483","","","0.1326","0.1355","","","","","","1.086","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150417","20.536","0.012","5.165","0.003","16.872","0.01","90","","109.824","0.009","90","","1683.5","1.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Boc-betaPhe-NHMe","","","- C16 H24 N2 O3 -","- C16 H24 N2 O3 -","- C64 H96 N8 O12 -","4","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.121","0.0909","","","0.1912","0.2061","","","","","","1.184","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150418","9.3852","0.0017","11.899","0.002","19.199","0.004","90","","90","","90","","2144","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-betaVal-betaVal-OMe","","","- C18 H34 N2 O5 -","- C18 H34 N2 O5 -","- C72 H136 N8 O20 -","4","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.0605","0.0585","","","0.1559","0.1574","","","","","","1.307","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150419","5.17","0.004","10.86","0.008","37.3","0.03","90","","90","","90","","2094","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-betaVal-betaDVal-OMe","","","- C18 H34 N2 O5 -","- C18 H34 N2 O5 -","- C72 H136 N8 O20 -","4","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.1091","0.0787","","","0.1588","0.1809","","","","","","1.273","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150420","5.989","0.002","6.651","0.002","8.661","0.003","70.749","0.005","77.415","0.005","86.976","0.005","317.81","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","Boc-betaPro-OH","","","- C11 H19 N O4 -","- C11 H19 N O4 -","- C11 H19 N O4 -","1","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.0589","0.0566","","","0.1641","0.1666","","","","","","1.122","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150421","7.942","0.0017","13.862","0.003","8.4623","0.0019","90","","90","","90","","931.6","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C40 H48 N16 O4 -","4","1","","Hornillo-Araujo, Ana R; Burrell, Adam J. M.; Aiertza, Miren K.; Shibata, Takayuki; Hammond, David M.; Edmont, Dolorès; Adams, Harry; Margison, Geoffrey P.; Williams, David M.","The syntheses and properties of tricyclic pyrrolo[2,3-d]pyrimidine analogues of S6-methylthioguanine and O6-methylguanine.","Organic & biomolecular chemistry","2006","4","9","1723","1729","10.1039/b516447h","","","0.71073","MoKα","","0.0522","0.045","","","0.1141","0.1186","","","","","","1.086","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150422","7.8532","0.0012","12.4259","0.0019","11.0895","0.0017","90","","108.807","0.002","90","","1024.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 S -","- C10 H12 N4 S -","- C40 H48 N16 S4 -","4","1","","Hornillo-Araujo, Ana R; Burrell, Adam J. M.; Aiertza, Miren K.; Shibata, Takayuki; Hammond, David M.; Edmont, Dolorès; Adams, Harry; Margison, Geoffrey P.; Williams, David M.","The syntheses and properties of tricyclic pyrrolo[2,3-d]pyrimidine analogues of S6-methylthioguanine and O6-methylguanine.","Organic & biomolecular chemistry","2006","4","9","1723","1729","10.1039/b516447h","","","0.71073","MoKα","","0.0605","0.045","","","0.122","0.1328","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150423","8.6545","0.0012","15.734","0.002","7.7979","0.0011","90","","96.473","0.002","90","","1055.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-amino-3,4-dihydro-1h-5-thia-1,6,8-triazaacenaphtylene","","- C9 H12 N4 O S -","- C9 H12 N4 O S -","- C36 H48 N16 O4 S4 -","4","1","","Hornillo-Araujo, Ana R; Burrell, Adam J. M.; Aiertza, Miren K.; Shibata, Takayuki; Hammond, David M.; Edmont, Dolorès; Adams, Harry; Margison, Geoffrey P.; Williams, David M.","The syntheses and properties of tricyclic pyrrolo[2,3-d]pyrimidine analogues of S6-methylthioguanine and O6-methylguanine.","Organic & biomolecular chemistry","2006","4","9","1723","1729","10.1039/b516447h","","","0.71073","MoKα","","0.0437","0.0349","","","0.0904","0.0948","","","","","","1.07","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150424","7.4112","0.0004","15.3453","0.0008","19.811","0.001","90","","90","0.001","90","","2253","0.2","193.2","","193.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N4 O Si -","- C22 H28 N4 O Si -","- C88 H112 N16 O4 Si4 -","4","1","","Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean","Facial selectivity in the 4 + 2 reactions of a diene derived from carvone","Organic & Biomolecular Chemistry","2006","4","6","1160","","10.1039/b516675f","","","0.7107","MoKα","","0.0508","0.039","","0.039","","0.037","","","1.353","","","1.43","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150425","17.488","0.001","17.514","0.001","7.601","0.002","90","","90","","90","","2328.1","0.6","299.2","","299.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N4 O Si -","- C22 H28 N4 O Si -","- C88 H112 N16 O4 Si4 -","4","1","","Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean","Facial selectivity in the 4 + 2 reactions of a diene derived from carvone","Organic & Biomolecular Chemistry","2006","4","6","1160","","10.1039/b516675f","","","1.5418","CuKα","","0.0464","0.039","","0.043","","0.042","","","2.546","","","2.63","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150426","8.087","0.001","11.369","0.001","14.0678","0.0009","90","","104.498","0.007","90","","1252.2","0.2","299.2","","299.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 N3 O3 Si -","- C24 H33 N3 O3 Si -","- C48 H66 N6 O6 Si2 -","2","1","","Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean","Facial selectivity in the 4 + 2 reactions of a diene derived from carvone","Organic & Biomolecular Chemistry","2006","4","6","1160","","10.1039/b516675f","","","1.5418","CuKα","","0.0374","0.036","","0.038","","0.038","","","3.701","","","3.77","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150427","14.365","0.003","8.446","0.002","12.304","0.002","90","","97.88","0.03","90","","1478.7","0.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C60 H88 N8 O8 -","4","1","","Neumann, Helfried; Strübing, Dirk; Lalk, Michael; Klaus, Stefan; Hübner, Sandra; Spannenberg, Anke; Lindequist, Ulrike; Beller, Matthias","Synthesis and antimicrobial activity of N-analogous corollosporines.","Organic & biomolecular chemistry","2006","4","7","1365","1375","10.1039/b517101f","","","0.71073","MoKα","","0.0787","0.0654","","","0.1849","0.193","","","","","","1.085","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150428","8.917","0.002","8.949","0.002","10.953","0.002","96.61","0.03","97.73","0.03","99.99","0.03","844.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C34 H48 N4 O6 -","2","1","","Neumann, Helfried; Strübing, Dirk; Lalk, Michael; Klaus, Stefan; Hübner, Sandra; Spannenberg, Anke; Lindequist, Ulrike; Beller, Matthias","Synthesis and antimicrobial activity of N-analogous corollosporines.","Organic & biomolecular chemistry","2006","4","7","1365","1375","10.1039/b517101f","","","0.71073","MoKα","","0.0968","0.0522","","","0.1307","0.1441","","","","","","0.86","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150429","12.358","0.001","14.623","0.001","19.349","0.002","90","","106.678","0.001","90","","3349.5","0.5","170","1","170","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","1,2-bis(2'-methyl-5'-((((R)-1-phenylethyl)amino)carbonyl)- thien-3'-yl)-perfluorocyclopentene","1,2-bis(2'-methyl-5'-{[((R)-1-phenylethyl)amino]carbonyl}-thien-3'-yl)- perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Uchida, Kingo; Walko, Martin; de Jong, Jaap J. D.; Sukata, Shin-ichiro; Kobatake, Seiya; Meetsma, Auke; van Esch, Jan; Feringa, Ben L.","Diastereoselective cyclization of a dithienylethene switch through single crystal confinement.","Organic & biomolecular chemistry","2006","4","6","1002","1006","10.1039/b517370a","","","0.71073","MoKα","","0.0948","0.0667","","","0.1546","0.17","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150430","7.1187","0.0002","12.4355","0.0002","10.625","0.0003","90","","105.545","0.0008","90","","906.17","0.04","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","","Donohoe, Timothy J.; Johnson, Dale J.; Mace, Laura H.; Thomas, Rhian E.; Chiu, Jessica Y. K.; Rodrigues, Jason S.; Compton, Richard G.; Banks, Craig E.; Tomcik, Peter; Bamford, Mark J.; Ichihara, Osamu","The ammonia-free partial reduction of substituted pyridinium salts.","Organic & biomolecular chemistry","2006","4","6","1071","1084","10.1039/b517462g","","","0.71073","MoKα","","0.0502","0.0372","","0.0539","0.0459","0.0459","","","","","","1.0774","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150431","8.0683","0.0002","10.3413","0.0002","20.1216","0.0004","90","","100.613","0.0009","90","","1650.16","0.06","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Donohoe, Timothy J.; Johnson, Dale J.; Mace, Laura H.; Thomas, Rhian E.; Chiu, Jessica Y. K.; Rodrigues, Jason S.; Compton, Richard G.; Banks, Craig E.; Tomcik, Peter; Bamford, Mark J.; Ichihara, Osamu","The ammonia-free partial reduction of substituted pyridinium salts.","Organic & biomolecular chemistry","2006","4","6","1071","1084","10.1039/b517462g","","","0.71073","MoKα","","0.056","0.0397","","0.0521","0.0463","0.0463","","","","","","1.0912","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150432","12.174","0.001","21.549","0.001","7.6755","0.0003","90","","90","","90","","2013.6","0.2","183.2","","183.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 F N2 O3 -","- C23 H25 F N2 O3 -","- C92 H100 F4 N8 O12 -","4","1","","Peng, Hairuo; Carrico, Dora; Thai, Van; Blaskovich, Michelle; Bucher, Cynthia; Pusateri, Erin E.; Sebti, Said M.; Hamilton, Andrew D.","Synthesis and evaluation of potent, highly-selective, 3-aryl-piperazinone inhibitors of protein geranylgeranyltransferase-I.","Organic & biomolecular chemistry","2006","4","9","1768","1784","10.1039/b517572k","","","0.7107","MoKalpha","","","0.0407","","","0.0404","","","","","1.478","1.478","","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150433","7.884","0.001","5.6159","0.0004","17.964","0.001","90","","90.753","0.004","90","","795.3","0.12","183.2","","183.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C38 H36 N4 O6 -","2","1","","Peng, Hairuo; Carrico, Dora; Thai, Van; Blaskovich, Michelle; Bucher, Cynthia; Pusateri, Erin E.; Sebti, Said M.; Hamilton, Andrew D.","Synthesis and evaluation of potent, highly-selective, 3-aryl-piperazinone inhibitors of protein geranylgeranyltransferase-I.","Organic & biomolecular chemistry","2006","4","9","1768","1784","10.1039/b517572k","","","0.7107","MoKalpha","","","0.0404","","","0.0418","","","","","1.508","1.508","","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150434","6.0153","0.0005","12.4888","0.0009","15.2629","0.001","90","","90","","90","","1146.61","0.15","250","","250","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C44 H60 N4 O20 -","4","1","","Li, Hongqing; Schütz, Catherine; Favre, Sylvain; Zhang, Yongmin; Vogel, Pierre; Sinaÿ, Pierre; Blériot, Yves","Nucleophilic opening of epoxyazepanes: expanding the family of polyhydroxyazepane-based glycosidase inhibitors.","Organic & biomolecular chemistry","2006","4","9","1653","1662","10.1039/b518117h","","","0.71073","MoKα","","0.104","0.0593","","0.0738","0.053","0.053","","","","","","1.1381","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150435","28.764","0.003","12.3834","0.0013","11.8736","0.0013","90","","104.728","0.002","90","","4090.4","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C39 H68 N O13.5 -","- C39 H68 N O13.5 -","- C156 H272 N4 O54 -","4","1","","Hassanzadeh, Addolreza; Helliwell, Madeleine; Barber, Jill","Determination of the stereochemistry of anhydroerythromycin A, the principal degradation product of the antibiotic erythromycin A.","Organic & biomolecular chemistry","2006","4","6","1014","1019","10.1039/b518182h","","","0.71073","MoKα","","0.0343","0.0314","","","0.0722","0.0731","","","","","","1.137","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150436","9.807","0.0008","11.749","0.0012","16.027","0.002","90","","90","","90","","1846.7","0.3","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N -","- C22 H29 N -","- C88 H116 N4 -","4","1","","Petersen, Michael Axman; Nielsen, Iben B.; Kristensen, Michael B.; Kadziola, Anders; Lammich, Lutz; Andersen, Lars H.; Nielsen, Mogens Brøndsted","Novel retinylidene iminium salts for defining opsin shifts: synthesis and intrinsic chromophoric properties.","Organic & biomolecular chemistry","2006","4","8","1546","1554","10.1039/b600121a","","","0.71073","MoKα","","0.055","0.0428","","","0.0998","0.1093","","","","","","1.117","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150437","9.884","0.0016","11.711","0.0011","16.091","0.002","90","","90","","90","","1862.6","0.4","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N -","- C22 H29 N -","- C88 H116 N4 -","4","1","","Petersen, Michael Axman; Nielsen, Iben B.; Kristensen, Michael B.; Kadziola, Anders; Lammich, Lutz; Andersen, Lars H.; Nielsen, Mogens Brøndsted","Novel retinylidene iminium salts for defining opsin shifts: synthesis and intrinsic chromophoric properties.","Organic & biomolecular chemistry","2006","4","8","1546","1554","10.1039/b600121a","","","0.71073","MoKα","","0.0553","0.0431","","","0.1036","0.1127","","","","","","1.094","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150438","7.6412","0.0004","11.8424","0.0009","15.8245","0.0007","90","","102.434","0.003","90","","1398.37","0.14","173","2","173","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C28 H39 N O6 Si -","- C28 H39 N O6 Si -","- C56 H78 N2 O12 Si2 -","2","1","","Ahmed, Omar; Hitchcock, Peter B.; Young, Douglas W.","Investigation of a route to ibotenic acid analogues via a reduced pyroglutamate template.","Organic & biomolecular chemistry","2006","4","8","1596","1603","10.1039/b600195e","","x-ray","0.71073","MoKα","","0.0509","0.0417","","","0.0889","0.0945","","","","","","1.032","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150439","5.6733","0.0002","11.538","0.0009","21.3149","0.0016","90","","90","","90","","1395.24","0.16","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C48 H76 N12 O16 -","4","1","","Ahmed, Omar; Hitchcock, Peter B.; Young, Douglas W.","Investigation of a route to ibotenic acid analogues via a reduced pyroglutamate template.","Organic & biomolecular chemistry","2006","4","8","1596","1603","10.1039/b600195e","","x-ray","0.71073","MoKα","","0.0584","0.0446","","","0.1003","0.1067","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150440","3.82","0.0006","9.5681","0.0016","14.756","0.002","90","","93.579","0.004","90","","538.28","0.14","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","9-methoxy-2-methyl-1-azaxanthone","9-methoxy-2-methyl-1-azaxanthone","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C28 H22 N2 O6 -","2","1","","Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau","Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.","Organic & biomolecular chemistry","2006","4","9","1707","1722","10.1039/b601357k","","","0.71073","MoKα","","0.0487","0.0276","","0.0411","0.0297","0.0297","","","","","","1.077","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150441","12.191","0.002","3.8876","0.0008","22.922","0.004","90","","90.223","0.006","90","","1086.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","7-methoxy-2-methyl-1-azaxanthone","7-methoxy-2-methyl-1-azaxanthone","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau","Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.","Organic & biomolecular chemistry","2006","4","9","1707","1722","10.1039/b601357k","","","0.71073","MoKα","","0.1239","0.062","","","0.1416","0.1608","","","","","","0.85","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150442","4.584","0.0003","11.1889","0.0007","24.2034","0.0015","90","","90.953","0.003","90","","1241.22","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Ethylamino-2-methyl-1-azaxanthone","6-Ethylamino-2-methyl-1-azaxanthone","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau","Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.","Organic & biomolecular chemistry","2006","4","9","1707","1722","10.1039/b601357k","","","0.71073","MoKα","","0.1531","0.056","","","0.1174","0.1502","","","","","","0.867","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150443","3.8693","0.0005","12.3848","0.0016","10.4698","0.0013","90","","95.015","0.002","90","","499.8","0.11","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","2-Methyl-1-azathioxanthone","2-Methyl-1-azathioxanthone","","- C13 H9 N O S -","- C13 H9 N O S -","- C26 H18 N2 O2 S2 -","2","1","","Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau","Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.","Organic & biomolecular chemistry","2006","4","9","1707","1722","10.1039/b601357k","","","0.71073","MoKα","","0.0746","0.0634","","","0.151","0.1587","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150444","11.2537","0.0002","13.9426","0.0002","28.9064","0.0005","83.0511","0.0006","88.3274","0.0005","82.8675","0.0009","4466.96","0.13","172","","","","","","","","","","Diederich Group","6","P 1","P 1","1","","","","- C24 H38 N2 O3 S Si2 -","- C24 H38 N2 O3 S Si2 -","- C144 H228 N12 O18 S6 Si12 -","6","6","","Convertino, Vito; Manini, Peter; Schweizer, W. Bernd; Diederich, François","First asymmetric synthesis of a differentially silyl-protected tris(alkynyl)methyl methyl ether.","Organic & biomolecular chemistry","2006","4","7","1206","1208","10.1039/b601380e","","","0.71073","MoKα","","0.0827","0.0724","","","0.1961","0.2102","","","","","","1.625","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150445","15.45","0.01","10.49","0.007","10.828","0.007","90","","90","","90","","1755","2","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","jrc0831n","","","- C18 H15 Cl F2 O3 S -","- C18 H15 Cl F2 O3 S -","- C72 H60 Cl4 F8 O12 S4 -","4","1","","Scott, Jeremy P.; Mullens, Peter R.; Brewer, Sarah E.; Brands, Karel M. J.; Chilenski, Jennifer R.; Davies, Antony J.; Gibb, Andrew D.; Lieberman, David R.; Oliver, Steven F.; Dolling, Ulf-H","The conformational bias of aryl, arylsulfonyl geminally substituted tertiary carbon centers: applications in substrate-based stereocontrol.","Organic & biomolecular chemistry","2006","4","9","1806","1810","10.1039/b601647b","","","0.71073","MoKα","","0.0622","0.0515","","","0.1173","0.1225","","","","","","0.958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150446","6.9274","0.0005","8.4158","0.0006","29.301","0.002","90","","92.743","0.001","90","","1706.3","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jrc2573n","","","- C18 H17 Cl F2 O3 S -","- C18 H17 Cl F2 O3 S -","- C72 H68 Cl4 F8 O12 S4 -","4","1","","Scott, Jeremy P.; Mullens, Peter R.; Brewer, Sarah E.; Brands, Karel M. J.; Chilenski, Jennifer R.; Davies, Antony J.; Gibb, Andrew D.; Lieberman, David R.; Oliver, Steven F.; Dolling, Ulf-H","The conformational bias of aryl, arylsulfonyl geminally substituted tertiary carbon centers: applications in substrate-based stereocontrol.","Organic & biomolecular chemistry","2006","4","9","1806","1810","10.1039/b601647b","","","0.71073","MoKα","","0.0472","0.0401","","","0.1009","0.1054","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7151200","7.8387","0.0015","11.645","0.002","15.4763","0.0018","90","","90","","90","","1412.7","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 F2 O2 S -","- C16 H14 F2 O2 S -","- C64 H56 F8 O8 S4 -","4","1","","Wyatt, Paul; Hudson, Andrew; Charmant, Jonathan; Orpen, A. Guy; Phetmung, Hirihattaya","Synthesis and chemistry of enantiomerically pure 10,11-dihydrodibenzo[b,f]thiepines.","Organic & biomolecular chemistry","2006","4","11","2218","2232","10.1039/b516606c","","","0.71073","MoKα","","0.0295","0.0264","","","0.0644","0.0667","","","","","","1.092","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151201","7.986","0.003","8.7928","0.0016","11.254","0.003","89.389","0.019","82.07","0.02","67.49","0.02","722.3","0.4","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H14 F2 O3 S -","- C16 H14 F2 O3 S -","- C32 H28 F4 O6 S2 -","2","2","","Wyatt, Paul; Hudson, Andrew; Charmant, Jonathan; Orpen, A. Guy; Phetmung, Hirihattaya","Synthesis and chemistry of enantiomerically pure 10,11-dihydrodibenzo[b,f]thiepines.","Organic & biomolecular chemistry","2006","4","11","2218","2232","10.1039/b516606c","","","0.71073","MoKα","","0.054","0.0432","","","0.0912","0.0999","","","","","","1.114","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151202","14.883","0.004","7.83","0.002","20.587","0.006","90","","90","","90","","2399.1","1.1","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","6,6f-diphenyl-3,3f,4,4f-tetraethyl-2,2f-bis(azafulvene)","6,6f-diphenyl-3,3f,4,4f-tetraethyl-2,2f-bis(azafulvene)","","- C30 H32 N2 -","- C30 H32 N2 -","- C120 H128 N8 -","4","0.5","","Setsune, Jun-ichiro; Tanabe, Aya; Watanabe, Junko; Maeda, Satoshi","Synthesis of bis(azafulvene)s by dehydration of hydroxymethylpyrrole derivatives.","Organic & biomolecular chemistry","2006","4","11","2247","2252","10.1039/b518340e","","","0.71073","MoKα","","0.0793","0.041","","","0.0978","0.1167","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151203","17.135","0.003","38.228","0.008","6.1877","0.0012","90","","90","","90","","4053.2","1.4","295","2","295","2","","","","","","","","3","F d d 2","F 2 -2d","43","6,6f-Diphenyl-2,2f-bis(azafulvenyl)-gem-dimethylmethane","6,6f-Diphenyl-2,2f-bis(azafulvenyl)-gem-dimethylmethane","","- C25 H22 N2 -","- C25 H22 N2 -","- C200 H176 N16 -","8","0.5","","Setsune, Jun-ichiro; Tanabe, Aya; Watanabe, Junko; Maeda, Satoshi","Synthesis of bis(azafulvene)s by dehydration of hydroxymethylpyrrole derivatives.","Organic & biomolecular chemistry","2006","4","11","2247","2252","10.1039/b518340e","","","0.71073","MoKα","","0.075","0.0393","","","0.0894","0.105","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151204","5.644","0.0001","8.477","0.0002","25.121","0.0005","90","","90","","90","","1201.89","0.04","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Mitchell, Claire E. T.; Brenner, Stacey E.; García-Fortanet, Jorge; Ley, Steven V.","An efficient, asymmetric organocatalyst-mediated conjugate addition of nitroalkanes to unsaturated cyclic and acyclic ketones.","Organic & biomolecular chemistry","2006","4","10","2039","2049","10.1039/b601877g","","","0.71073","MoKα","","0.0341","0.0312","","","0.0752","0.077","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151205","13.8204","0.0002","13.9878","0.0003","16.6312","0.0003","90.697","0.001","91.861","0.001","109.789","0.001","3022.72","0.1","113","2","113","2","","","","","","","","3","P -1","-P 1","2","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(acetone) clathrate","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(acetone) clathrate","","- C74 H68 O8 -","- C74 H68 O8 -","- C148 H136 O16 -","2","1","","Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion of volatile guests by a tetrapedal host: structure and kinetics.","Organic & biomolecular chemistry","2006","4","12","2452","2457","10.1039/b602367n","","","0.71073","MoKα","","0.1056","0.0501","","","0.1003","0.1166","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151206","8.6664","0.0002","12.6143","0.0002","13.1928","0.0003","99.167","0.001","105.288","0.001","99.795","0.001","1338.93","0.05","113","2","113","2","","","","","","","","3","P -1","-P 1","2","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.2(1,4-dioxane) clathrate","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.2(1,4-dioxane) clathrate","","- C70 H60 O8 -","- C70 H60 O8 -","- C70 H60 O8 -","1","0.5","","Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion of volatile guests by a tetrapedal host: structure and kinetics.","Organic & biomolecular chemistry","2006","4","12","2452","2457","10.1039/b602367n","","","0.71073","MoKα","","0.0634","0.0416","","","0.0946","0.1034","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151207","9.2037","0.0003","12.8577","0.0004","14.3892","0.0005","81.503","0.001","82.891","0.001","79.766","0.001","1648.97","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(1,4-dioxane) clathrate","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(1,4-dioxane) clathrate","","- C78 H76 O12 -","- C78 H68 O12 -","- C78 H68 O12 -","1","0.5","","Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion of volatile guests by a tetrapedal host: structure and kinetics.","Organic & biomolecular chemistry","2006","4","12","2452","2457","10.1039/b602367n","","","0.71073","MoKα","","0.1297","0.0576","","","0.1449","0.1704","","","","","","1.05","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151208","9.0698","0.0003","13.7712","0.0004","13.9901","0.0005","71.818","0.001","71.441","0.001","73.849","0.001","1542.47","0.09","113","2","113","2","","","","","","","","4","P -1","-P 1","2","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(dimethyl sulphoxide) clathrate","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(dimethyl sulphoxide) clathrate","","- C70 H68 O8 S4 -","- C70 H68 O8 S4 -","- C70 H68 O8 S4 -","1","0.5","","Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion of volatile guests by a tetrapedal host: structure and kinetics.","Organic & biomolecular chemistry","2006","4","12","2452","2457","10.1039/b602367n","","","0.71073","MoKα","","0.1013","0.0514","","","0.1028","0.1187","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151209","14.0976","0.0002","16.7074","0.0002","17.3826","0.0003","63.05","0.001","87.506","0.001","70.95","0.001","3423.12","0.1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.5(pyridine) clathrate","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.5(pyridine) clathrate","","- C87 H69 N5 O4 -","- C87 H64 N5 O4 -","- C174 H128 N10 O8 -","2","1","","Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion of volatile guests by a tetrapedal host: structure and kinetics.","Organic & biomolecular chemistry","2006","4","12","2452","2457","10.1039/b602367n","","","0.71073","MoKα","","0.1343","0.0651","","","0.1549","0.1811","","","","","","1.053","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151210","7.5822","0.0015","10.3689","0.0013","13.0588","0.0009","90.275","0.009","101.461","0.011","100.074","0.013","989.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O5 -","- C23 H20 N2 O5 -","- C46 H40 N4 O10 -","2","1","","Heaney, Frances; Lawless, Elaine; Mahon, Mary; McArdle, Patrick; Cunningham, Desmond","1,3-Dipolar character of 2-vinyl quinazoline 3-oxides; first and second generation cycloaddition products.","Organic & biomolecular chemistry","2006","4","12","2408","2416","10.1039/b602423h","","","0.71069","MoKα","","0.0512","0.0451","","","0.1147","0.1202","","","","","","1.004","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151211","7.443","0.001","10.892","0.002","19.212","0.003","82.95","0.02","81.14","0.02","88.01","0.02","1527.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","2","","Heaney, Frances; Lawless, Elaine; Mahon, Mary; McArdle, Patrick; Cunningham, Desmond","1,3-Dipolar character of 2-vinyl quinazoline 3-oxides; first and second generation cycloaddition products.","Organic & biomolecular chemistry","2006","4","12","2408","2416","10.1039/b602423h","","","0.71069","MoKα","","0.0947","0.041","","","0.119","0.1417","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151212","7.492","0.0001","9.045","0.0002","13.563","0.0004","73.159","0.001","73.945","0.001","70.568","0.001","812.88","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Heaney, Frances; Lawless, Elaine; Mahon, Mary; McArdle, Patrick; Cunningham, Desmond","1,3-Dipolar character of 2-vinyl quinazoline 3-oxides; first and second generation cycloaddition products.","Organic & biomolecular chemistry","2006","4","12","2408","2416","10.1039/b602423h","","","0.71073","MoKα","","0.0488","0.0381","","","0.0922","0.0982","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151213","9.4567","0.0002","10.5163","0.0002","10.6619","0.0002","78.9","0.001","89.899","0.001","66.981","0.001","954.46","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Br F N2 O2 -","- C22 H22 Br F N2 O2 -","- C44 H44 Br2 F2 N4 O4 -","2","1","","Schweizer, Eliane; Hoffmann-Röder, Anja; Olsen, Jacob A.; Seiler, Paul; Obst-Sander, Ulrike; Wagner, Björn; Kansy, Manfred; Banner, David W.; Diederich, François","Multipolar interactions in the D pocket of thrombin: large differences between tricyclic imide and lactam inhibitors.","Organic & biomolecular chemistry","2006","4","12","2364","2375","10.1039/b602585d","","","0.7107","MoKα","","0.0342","0.0289","","","0.0637","0.0666","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151214","9.077","0.0008","10.333","0.0009","10.925","0.0009","95.455","0.001","101.496","0.001","106.2","0.001","951.82","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 I2 N O -","- C20 H15 I2 N O -","- C40 H30 I4 N2 O2 -","2","1","","Clayden, Jonathan; Vallverdú, Lluís; Helliwell, Madeleine","Conformational communication between the Ar-CO and Ar-N axes in 2,2'-disubstituted benzanilides and their derivatives.","Organic & biomolecular chemistry","2006","4","11","2106","2118","10.1039/b602912d","","","0.71073","MoKα","","0.0188","0.0173","","","0.043","0.0438","","","","","","1.075","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151215","17.213","0.001","14.912","0.0008","15.658","0.0009","90","","90","","90","","4019.1","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H14 I3 N O -","- C20 H14 I3 N O -","- C160 H112 I24 N8 O8 -","8","1","","Clayden, Jonathan; Vallverdú, Lluís; Helliwell, Madeleine","Conformational communication between the Ar-CO and Ar-N axes in 2,2'-disubstituted benzanilides and their derivatives.","Organic & biomolecular chemistry","2006","4","11","2106","2118","10.1039/b602912d","","","0.71073","MoKα","","0.0255","0.0237","","","0.0603","0.0612","","","","","","1.138","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151216","7.984","0.005","24.878","0.005","12.52","0.005","90","0.005","98.498","0.005","90","0.005","2459.5","1.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl2 I2 N2 O2 -","- C23 H20 Cl2 I2 N2 O2 -","- C92 H80 Cl8 I8 N8 O8 -","4","2","","Clayden, Jonathan; Vallverdú, Lluís; Helliwell, Madeleine","Conformational communication between the Ar-CO and Ar-N axes in 2,2'-disubstituted benzanilides and their derivatives.","Organic & biomolecular chemistry","2006","4","11","2106","2118","10.1039/b602912d","","","0.71069","MoKα","","0.0411","0.0397","","","0.0977","0.0987","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151217","8.1371","0.0001","9.7341","0.0001","26.6319","0.0004","90","","90","","90","","2109.44","0.05","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 S2 -","- C21 H30 O4 S2 -","- C84 H120 O16 S8 -","4","1","","Zinzalla, Giovanna; Milroy, Lech-Gustav; Ley, Steven V.","Chemical variation of natural product-like scaffolds: design and synthesis of spiroketal derivatives.","Organic & biomolecular chemistry","2006","4","10","1977","2002","10.1039/b603015g","","","0.71073","MoKα","","0.0438","0.0338","","","0.0778","0.0821","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151218","8.1836","0.0001","11.8557","0.0002","21.3327","0.0004","90","","90","","90","","2069.75","0.06","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 S2 -","- C21 H30 O4 S2 -","- C84 H120 O16 S8 -","4","1","","Zinzalla, Giovanna; Milroy, Lech-Gustav; Ley, Steven V.","Chemical variation of natural product-like scaffolds: design and synthesis of spiroketal derivatives.","Organic & biomolecular chemistry","2006","4","10","1977","2002","10.1039/b603015g","","","0.71073","MoKα","","0.0372","0.0344","","","0.0893","0.0916","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151219","13.4354","0.0004","16.5257","0.0006","9.9835","0.0003","90","","90","","90","","2216.63","0.12","180","2","180","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C21 H29 Br O4 S2 -","- C21 H29 Br O4 S2 -","- C84 H116 Br4 O16 S8 -","4","1","","Zinzalla, Giovanna; Milroy, Lech-Gustav; Ley, Steven V.","Chemical variation of natural product-like scaffolds: design and synthesis of spiroketal derivatives.","Organic & biomolecular chemistry","2006","4","10","1977","2002","10.1039/b603015g","","","0.71073","MoKα","","0.0601","0.0522","","","0.1395","0.1457","","","","","","1.137","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151220","5.5259","0.0004","10.0212","0.0007","34.6","0.002","90","","90","","90","","1916","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Derived Allylic Alcohols","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Markad, Shankar D.; Karanjule, Narayan S.; Sharma, Tarun; Sabharwal, Sushma G.; Puranik, Vedavati G.; Dhavale, Dilip D.","Synthesis of tetrahydroxy perhydroaza-azulenes: tandem Johnson-Claisen rearrangement of D-glucose-derived allylic alcohols.","Organic & biomolecular chemistry","2006","4","13","2549","2555","10.1039/b603545k","","","0.71073","MoKα","","0.0694","0.0622","","","0.1473","0.1516","","","","","","1.178","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151221","14.371","0.002","9.5023","0.001","21.501","0.003","90","","103.55","0.05","90","","2854.4","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H88 N2 O10 Si -","- C50 H88 N2 O10 Si -","- C100 H176 N4 O20 Si2 -","2","1","","Bauder, Claude; Biard, Jean-François; Solladié, Guy","Synthesis of derivatives of potent antitumor bistramides D and A leading to the first crystal structure of natural bistramide D.","Organic & biomolecular chemistry","2006","4","10","1860","1862","10.1039/b603767d","","","0.71073","MoKα","","0.1821","0.0812","","","0.1648","0.2129","","","","","","0.985","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151222","13.5591","0.0016","9.7766","0.0012","27.715","0.003","90","","97.819","0.002","90","","3639.8","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H42 Cl2 O6 -","- C47 H42 Cl2 O6 -","- C188 H168 Cl8 O24 -","4","0.5","","Adams, Harry; Jones, Simon; Ojea-Jimenez, Isaac","Highly diastereoselective Diels-Alder cycloadditions of 9R-(1-methoxyethyl)anthracene with p-benzoquinone.","Organic & biomolecular chemistry","2006","4","11","2296","2303","10.1039/b603819k","","","0.71073","MoKα","","0.0831","0.048","","","0.1064","0.1205","","","","","","1.042","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151223","16.221","0.008","7.386","0.004","28.003","0.013","90","","104.388","0.008","90","","3250","3","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C184 H160 O24 -","8","1","","Adams, Harry; Jones, Simon; Ojea-Jimenez, Isaac","Highly diastereoselective Diels-Alder cycloadditions of 9R-(1-methoxyethyl)anthracene with p-benzoquinone.","Organic & biomolecular chemistry","2006","4","11","2296","2303","10.1039/b603819k","","","0.71073","MoKα","","0.0958","0.0521","","","0.1266","0.1513","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151224","9.7734","0.0011","13.3223","0.0016","20.38","0.002","90","","90","","90","","2653.6","0.5","150","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 Cl2 N O5 S -","- C23 H33 Cl2 N O5 S -","- C92 H132 Cl8 N4 O20 S4 -","4","1","","Besong, Gilbert; Jarowicki, Krzysztof; Kocienski, Philip J.; Sliwinski, Eric; Boyle, F. Thomas","Synthesis of (S)-(-)-N-acetylcolchinol using intramolecular biaryl oxidative coupling.","Organic & biomolecular chemistry","2006","4","11","2193","2207","10.1039/b603857c","","","0.71073","MoKα","","0.0744","0.0545","","","0.1448","0.1601","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151225","13.3627","0.0003","15.6068","0.0003","27.3395","0.0007","90","","90","","90","","5701.6","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H44 B N O8 -","- C25 H44 B N O8 -","- C200 H352 B8 N8 O64 -","8","2","","Besong, Gilbert; Jarowicki, Krzysztof; Kocienski, Philip J.; Sliwinski, Eric; Boyle, F. Thomas","Synthesis of (S)-(-)-N-acetylcolchinol using intramolecular biaryl oxidative coupling.","Organic & biomolecular chemistry","2006","4","11","2193","2207","10.1039/b603857c","","x-ray","0.71073","MoKα","","0.0644","0.0437","","","0.093","0.1028","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151226","8.9131","0.0009","5.0982","0.0005","18.2642","0.0017","90","","102.311","0.002","90","","810.85","0.14","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-iodophenyl carbamate of 4-phenylbut-3-ene-2-ol","","- C17 H16 I N O2 -","- C17 H16 I N O2 -","- C34 H32 I2 N2 O4 -","2","1","","Clarkson, Guy; Livingston, Andrew G.; Muir, Jennifer C.; Taylor, Paul C.","The absolute configuration of (+)-(E)-4-phenylbut-3-ene-2-ol.","Organic & biomolecular chemistry","2006","4","11","2081","","10.1039/b603934k","","","0.71073","MoKα","","0.0645","0.0524","","","0.1195","0.1258","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151227","27.55","0.02","10.928","0.008","23.154","0.009","90","","90.42","0.05","90","","6971","8","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42.67 H48.67 Cl2.67 N4 O9.67 S2 -","- C42.6667 H42.6667 Cl2.66667 N4 O9.66667 S2 -","- C256 H256 Cl16 N24 O58 S12 -","6","1.5","","Srimurugan, Sankareswaran; Viswanathan, Balasubramanian; Varadarajan, Thirukallam Kanthadai; Varghese, Babu","Synthesis and crystal structure of [2 + 2] calixsalens.","Organic & biomolecular chemistry","2006","4","16","3044","3047","10.1039/b604003a","","","0.71073","MoKα","","0.1477","0.0872","","","0.2237","0.2484","","","","","","0.954","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151228","10.0407","0.0013","15.0369","0.0016","22.816","0.003","90","","90","","90","","3444.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 N4 O4 -","- C40 H40 N4 O4 -","- C160 H160 N16 O16 -","4","1","","Srimurugan, Sankareswaran; Viswanathan, Balasubramanian; Varadarajan, Thirukallam Kanthadai; Varghese, Babu","Synthesis and crystal structure of [2 + 2] calixsalens.","Organic & biomolecular chemistry","2006","4","16","3044","3047","10.1039/b604003a","","","1.5418","CuKα","","0.0433","0.0349","","","0.0945","0.1005","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151229","15.484","0.006","12.017","0.005","19.604","0.008","90","","105.509","0.006","90","","3515","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 I3 N4 Se2 -","- C8 H11 I3 N4 Se2 -","- C64 H88 I24 N32 Se16 -","8","2","","Roy, Gouriprasanna; Nethaji, Munirathinam; Mugesh, G.","Interaction of anti-thyroid drugs with iodine: the isolation of two unusual ionic compounds derived from Se-methimazole.","Organic & biomolecular chemistry","2006","4","15","2883","2887","10.1039/b604060h","","","0.71073","MoKα","","0.049","0.0355","","","0.0851","0.0934","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151230","6.6979","0.0014","10.374","0.002","12.158","0.003","68.916","0.003","82.135","0.003","78.816","0.003","771.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 I2 N4 Se2 -","- C8 H12 I2 N4 Se2 -","- C16 H24 I4 N8 Se4 -","2","1","","Roy, Gouriprasanna; Nethaji, Munirathinam; Mugesh, G.","Interaction of anti-thyroid drugs with iodine: the isolation of two unusual ionic compounds derived from Se-methimazole.","Organic & biomolecular chemistry","2006","4","15","2883","2887","10.1039/b604060h","","","0.71073","MoKα","","0.0261","0.0229","","","0.0564","0.0576","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151231","5.9454","0.0002","8.1078","0.0003","18.0676","0.0006","90","","90","","90","","870.93","0.05","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.","Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.","Organic & biomolecular chemistry","2006","4","14","2753","2768","10.1039/b604073j","","","0.71073","MoKα","","0.0317","0.028","","0.0361","0.0326","0.0326","","","","","","1.0885","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151232","9.2401","0.0001","10.581","0.0001","46.9695","0.0005","90","","90","","90","","4592.18","0.08","100","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C192 H240 N16 O32 -","16","4","","Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.","Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.","Organic & biomolecular chemistry","2006","4","14","2753","2768","10.1039/b604073j","","","0.71073","MoKα","","0.0896","0.0667","","0.0607","0.0478","0.0478","","","","","","1.0322","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151233","17.9151","0.0005","9.5994","0.0003","12.1722","0.0004","90","","119.664","0.0013","90","","1818.96","0.1","190","","190","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C76 H108 N4 O16 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.","Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.","Organic & biomolecular chemistry","2006","4","14","2753","2768","10.1039/b604073j","","","0.71073","MoKα","","0.0424","0.0324","","0.0465","0.0365","0.0365","","","","","","1.1371","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151234","8.8735","0.0002","9.7635","0.0003","11.248","0.0003","89.749","0.002","79.982","0.002","64.9723","0.0011","866.9","0.04","190","","190","","","","","","","","","4","P 1","P 1","1","","","","- C16 H29 N O4 -","- C16 H29 N O4 -","- C32 H58 N2 O8 -","2","2","","Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.","Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.","Organic & biomolecular chemistry","2006","4","14","2753","2768","10.1039/b604073j","","","0.71073","MoKα","","0.0497","0.0369","","0.0482","0.038","0.038","","","","","","1.1334","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151235","8.3002","0.0002","33.6715","0.0004","10.531","0.0002","90","","90.6345","0.0005","90","","2943.03","0.1","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C33 H37 N O6 -","- C33 H37 N O6 -","- C132 H148 N4 O24 -","4","2","","Hussaini, Syed Raziullah; Moloney, Mark G.","2,5-Disubstituted pyrrolidines: synthesis by enamine reduction and subsequent regioselective and diastereoselective alkylations.","Organic & biomolecular chemistry","2006","4","13","2600","2615","10.1039/b604183c","","","0.71073","MoKα","","0.0753","0.0521","","0.0561","0.0531","0.0531","","","","","","1.0425","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151236","8.8317","0.0005","10.1281","0.0005","12.024","0.0007","90","","103.017","0.002","90","","1047.89","0.1","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O7 -","- C21 H25 N O7 -","- C42 H50 N2 O14 -","2","1","","Hussaini, Syed Raziullah; Moloney, Mark G.","2,5-Disubstituted pyrrolidines: synthesis by enamine reduction and subsequent regioselective and diastereoselective alkylations.","Organic & biomolecular chemistry","2006","4","13","2600","2615","10.1039/b604183c","","","0.71073","MoKα","","","0.0331","","","","0.0365","","","","","","1.0672","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151237","13.8821","0.0003","4.5502","0.0002","14.6589","0.0004","90","","109.809","0.0017","90","","871.16","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O7 S -","- C16 H18 N2 O7 S -","- C32 H36 N4 O14 S2 -","2","1","","Pedras, M Soledade C; Hossain, Mohammad","Metabolism of crucifer phytoalexins in Sclerotinia sclerotiorum: detoxification of strongly antifungal compounds involves glucosylation.","Organic & biomolecular chemistry","2006","4","13","2581","2590","10.1039/b604400j","","","0.71073","MoKα","","0.0559","0.0471","","","0.1037","0.109","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151238","26.338","0.013","9.477","0.005","32.834","0.015","90","","97.759","0.006","90","","8121","7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H30 I2 N2 O2 -","- C20 H30 I2 N2 O2 -","- C280 H420 I28 N28 O28 -","14","3.5","","Song, Yang; Tian, Tian; Wang, Ping; He, Hanping; Liu, Wulue; Zhou, Xiang; Cao, Xiaoping; Zhang, Xiao-Lian; Zhou, Xin","Phenol quaternary ammonium derivatives: charge and linker effect on their DNA photo-inducible cross-linking abilities.","Organic & biomolecular chemistry","2006","4","17","3358","3366","10.1039/b604552a","","","0.71073","MoKα","","0.093","0.0568","","","0.1393","0.1598","","","","","","1.044","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151239","9.7318","0.0013","18.078","0.002","20.751","0.003","90","","90","","90","","3650.8","0.8","396","2","396","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","6-Bn","","","- C36 H40 Br Cl4 N3 O2 -","- C36 H40 Br Cl4 N3 O2 -","- C144 H160 Br4 Cl16 N12 O8 -","4","1","","Dálaigh, Ciarán O; Hynes, Stephen J.; O'Brien, John E; McCabe, Thomas; Maher, Declan J.; Watson, Graeme W.; Connon, Stephen J.","Asymmetric acyl-transfer promoted by readily assembled chiral 4-N,N-dialkylaminopyridine derivatives.","Organic & biomolecular chemistry","2006","4","14","2785","2793","10.1039/b604632k","","","0.71073","MoKα","","0.0885","0.0777","","","0.1786","0.184","","","","","","1.119","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151240","10.7431","0.0008","13.5397","0.001","19.375","0.0015","101.138","0.002","97.455","0.002","96.572","0.002","2713.5","0.4","130","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cl N O4 -","- C20 H18 Cl N O4 -","- C120 H108 Cl6 N6 O24 -","6","3","","Smith, Jason A.; Ng, Sarah; White, Jonathon","The regioselective synthesis of aryl pyrroles.","Organic & biomolecular chemistry","2006","4","12","2477","2482","10.1039/b604692d","","","0.71073","MoKα","","0.1483","0.051","","","0.0613","0.0793","","","","","","0.591","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151241","8.6","0.0006","10.087","0.0012","10.843","0.0009","67.342","0.008","89.563","0.006","89.466","0.008","867.97","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N3 O7 -","- C14 H19 N3 O7 -","- C28 H38 N6 O14 -","2","1","","Dadwal, Mamta; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Highly efficient hydrazination of conjugated nitroalkenes via imidazole or DMAP mediated Morita-Baylis-Hillman reaction.","Organic & biomolecular chemistry","2006","4","13","2525","2528","10.1039/b604899d","","","0.71073","MoKα","","0.1194","0.0495","","","0.1233","0.1468","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151242","8.1928","0.001","7.4438","0.0009","26.234","0.003","90","","96.98","0.01","90","","1588","0.3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-endo,6-endo-bis(3',4'-methylenedioxyphenyl) -3,7-dioxa- bicyclo(3.3.0)octane","2-endo,6-endo-bis(3',4'-methylenedioxyphenyl) -3,7-dioxa-bicyclo[3.3.0]octane","","- C20 H18 O6 -","- C20 H18 O6 -","- C80 H72 O24 -","4","1","","Aldous, David J.; Batsanov, Andrei S.; Yufit, Dmitrii S.; Dalençon, Anne J; Dutton, William M.; Steel, Patrick G.","The dihydrofuran template approach to furofuran synthesis.","Organic & biomolecular chemistry","2006","4","15","2912","2927","10.1039/b604952d","","","0.71073","MoKα","","0.054","0.0449","","","0.1117","0.1181","","","","","","1.088","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151243","5.8932","0.0004","9.2189","0.0007","16.1992","0.0013","87.502","0.003","89.201","0.003","77.553","0.003","858.57","0.11","110","2","110","0.2","","","","","","","","5","P -1","-P 1","2","N-toluenesulfonyl-3-methoxycarbonyl-2-phenyl-3-pyrroline","N-toluenesulfonyl-3-methoxycarbonyl-2-phenyl-3-pyrroline","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C38 H38 N2 O8 S2 -","2","1","","Aldous, David J.; Batsanov, Andrei S.; Yufit, Dmitrii S.; Dalençon, Anne J; Dutton, William M.; Steel, Patrick G.","The dihydrofuran template approach to furofuran synthesis.","Organic & biomolecular chemistry","2006","4","15","2912","2927","10.1039/b604952d","","","0.71073","MoKα","","0.1066","0.0573","","","0.1204","0.1355","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151244","7.69","0.05","9.26","0.05","17.15","0.05","90","","90","","90","","1221","11","298","","","","","","","","","","K. Okuma","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O2 S -","- C13 H18 O2 S -","- C52 H72 O8 S4 -","4","1","","Okuma, Kentaro; Koda, Masahiro; Maekawa, Shinobu; Shioji, Kosei; Inoue, Tohru; Kurisaki, Tsutomu; Wakita, Hisanobu; Yokomori, Yoshinobu","Reaction of thioketones with propiolic acids.","Organic & biomolecular chemistry","2006","4","14","2745","2752","10.1039/b605068a","","","0.71069","MoKα","","0.0781","0.0485","","","0.1291","0.1502","","","","","","0.991","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151245","6.9391","0.0002","8.0963","0.0003","15.5077","0.0005","90","","101.182","0.003","90","","854.7","0.05","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N O3 -","- C17 H27 N O3 -","- C34 H54 N2 O6 -","2","1","","Bull, Steven D.; Davies, Stephen G.; Garner, A. Christopher; Kruchinin, Dennis; Key, Min-Suk; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","SuperQuat 5,5-dimethyl-4-iso-propyloxazolidin-2-one as a mimic of Evans 4-tert-butyloxazolidin-2-one.","Organic & biomolecular chemistry","2006","4","15","2945","2964","10.1039/b605244d","","","0.71073","MoKα","","0.0612","0.0511","","0.0674","0.0612","0.0612","","","","","","0.9657","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151246","7.2402","0.0001","11.8197","0.0002","18.467","0.0005","90","","90","","90","","1580.35","0.05","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C68 H100 N4 O12 -","4","1","","Bull, Steven D.; Davies, Stephen G.; Garner, A. Christopher; Kruchinin, Dennis; Key, Min-Suk; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","SuperQuat 5,5-dimethyl-4-iso-propyloxazolidin-2-one as a mimic of Evans 4-tert-butyloxazolidin-2-one.","Organic & biomolecular chemistry","2006","4","15","2945","2964","10.1039/b605244d","","","0.71073","MoKα","","0.0387","0.0318","","0.0446","0.0396","0.0396","","","","","","1.0818","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151247","6.5167","0.0001","7.9303","0.0002","15.8324","0.0004","90","","92.8893","0.0009","90","","817.17","0.03","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O3 -","- C17 H23 N O3 -","- C34 H46 N2 O6 -","2","1","","Bull, Steven D.; Davies, Stephen G.; Garner, A. Christopher; Kruchinin, Dennis; Key, Min-Suk; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","SuperQuat 5,5-dimethyl-4-iso-propyloxazolidin-2-one as a mimic of Evans 4-tert-butyloxazolidin-2-one.","Organic & biomolecular chemistry","2006","4","15","2945","2964","10.1039/b605244d","","","0.71073","MoKα","","0.0348","0.0308","","0.0384","0.0328","0.0328","","","","","","1.1366","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151248","10.559","0.002","9.6567","0.0019","11.052","0.002","90","","112.47","0.03","90","","1041.4","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C50 H52 N4 O4 -","2","1","","Lory, Pedro M. J.; Jones, Raymond C. F.; Iley, James N.; Coles, Simon J.; Hursthouse, Michael B.","Intramolecular 1,3-dipolar cycloadditions of dihydroimidazolium ylides: synthesis of pyrrolo[1,2,3-de]quinoxalines and imidazo[1,2-a]indoles.","Organic & biomolecular chemistry","2006","4","16","3155","3165","10.1039/b605458g","","","0.71073","MoKα","","0.0507","0.0373","","","0.0836","0.0897","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151249","5.8566","0.0004","22.8548","0.0018","9.1424","0.0007","90","","92.913","0.006","90","","1222.14","0.16","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 N2 O3 -","- C28 H34 N2 O3 -","- C56 H68 N4 O6 -","2","1","","Lory, Pedro M. J.; Jones, Raymond C. F.; Iley, James N.; Coles, Simon J.; Hursthouse, Michael B.","Intramolecular 1,3-dipolar cycloadditions of dihydroimidazolium ylides: synthesis of pyrrolo[1,2,3-de]quinoxalines and imidazo[1,2-a]indoles.","Organic & biomolecular chemistry","2006","4","16","3155","3165","10.1039/b605458g","","","0.71073","MoKα","","0.0842","0.05","","","0.0957","0.1075","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151250","5.3447","0.0011","10.854","0.002","14.722","0.003","81.91","0.03","87.82","0.03","88.8","0.03","844.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C40 H48 N4 O4 -","2","1","","Lory, Pedro M. J.; Jones, Raymond C. F.; Iley, James N.; Coles, Simon J.; Hursthouse, Michael B.","Intramolecular 1,3-dipolar cycloadditions of dihydroimidazolium ylides: synthesis of pyrrolo[1,2,3-de]quinoxalines and imidazo[1,2-a]indoles.","Organic & biomolecular chemistry","2006","4","16","3155","3165","10.1039/b605458g","","","0.71073","MoKα","","0.1507","0.0566","","","0.1034","0.1318","","","","","","0.944","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151251","11.448","0.002","11.905","0.002","15.067","0.003","86.5","0.03","87.96","0.03","77.45","0.03","2000.1","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C100 H104 N8 O8 -","4","2","","Lory, Pedro M. J.; Jones, Raymond C. F.; Iley, James N.; Coles, Simon J.; Hursthouse, Michael B.","Intramolecular 1,3-dipolar cycloadditions of dihydroimidazolium ylides: synthesis of pyrrolo[1,2,3-de]quinoxalines and imidazo[1,2-a]indoles.","Organic & biomolecular chemistry","2006","4","16","3155","3165","10.1039/b605458g","","","0.71073","MoKα","","0.2781","0.0682","","","0.1036","0.1613","","","","","","0.867","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151252","13.111","0.003","10.123","0.002","14.928","0.003","90","","90","","90","","1981.3","0.7","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","furan recepter","","","- C24 H18 N6 O -","- C24 H18 N6 O -","- C96 H72 N24 O4 -","4","0.5","","Skene, W. G.; Berl, Volker; Risler, Hélène; Khoury, Richard; Lehn, Jean-Marie","Selective product amplification of thymine photodimer by recognition-directed supramolecular assistance.","Organic & biomolecular chemistry","2006","4","19","3652","3663","10.1039/b605658j","","","0.71073","MoKα","","0.0844","0.0682","","","0.1854","0.1946","","","","","","1.128","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151253","15.28","0.003","22.54","0.005","10.51","0.002","90","","90","0.03","90","","3619.8","1.3","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 Cl3 N6 O -","- C36 H41 Cl3 N6 O -","- C144 H164 Cl12 N24 O4 -","4","1","","Skene, W. G.; Berl, Volker; Risler, Hélène; Khoury, Richard; Lehn, Jean-Marie","Selective product amplification of thymine photodimer by recognition-directed supramolecular assistance.","Organic & biomolecular chemistry","2006","4","19","3652","3663","10.1039/b605658j","","","0.71073","MoKα","","0.1183","0.0688","","0.1935","0.1652","","","","1.04","1.11","1.11","","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151254","10.289","0.0001","20.1092","0.0002","7.4282","0.0004","90","","90","","90","","1536.92","0.09","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C13 H26 N2 O6 -","- C13 H26 N2 O6 -","- C52 H104 N8 O24 -","4","1","","Maxwell, Vanessa L.; Evinson, Emma L.; Emmerson, Daniel P. G.; Jenkins, Paul R.","Synthesis, glycosidase activity and X-ray crystallography of 3-amino-sugars.","Organic & biomolecular chemistry","2006","4","14","2724","2732","10.1039/b605916c","","","0.71073","MoKα","","0.0346","0.0324","","","0.0775","0.0792","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151255","9.8736","0.0013","6.0745","0.0008","11.7121","0.0016","90","","111.941","0.002","90","","651.58","0.15","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 N O6 -","- C12 H19 N O6 -","- C24 H38 N2 O12 -","2","1","","Maxwell, Vanessa L.; Evinson, Emma L.; Emmerson, Daniel P. G.; Jenkins, Paul R.","Synthesis, glycosidase activity and X-ray crystallography of 3-amino-sugars.","Organic & biomolecular chemistry","2006","4","14","2724","2732","10.1039/b605916c","","","0.71073","MoKα","","0.0365","0.035","","","0.0783","0.0792","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151256","7.3722","0.0006","25.899","0.002","26.76","0.002","90","","90","","90","","5109.4","0.7","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,4-Dicarbomethoxy-2,5-di-(4Â-acetoxy-3Â'-methoxy phenyl)-2,3,4,5- tetrahydrofuran","","- C26 H28 O11 -","- C26 H28 O11 -","- C208 H224 O88 -","8","1","","Schatz, Paul F.; Ralph, John; Lu, Fachuang; Guzei, Ilia A.; Bunzel, Mirko","Synthesis and identification of 2,5-bis-(4-hydroxy-3-methoxyphenyl)-tetrahydrofuran-3,4-dicarboxylic acid, an unanticipated ferulate 8-8-coupling product acylating cereal plant cell walls.","Organic & biomolecular chemistry","2006","4","14","2801","2806","10.1039/b605918j","","","0.71073","Mo-Kα","","0.0514","0.0453","","","0.122","0.128","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151257","9.499","0.002","10.601","0.003","11.958","0.003","113.345","0.003","98.08","0.003","103.188","0.003","1039.9","0.5","153","2","153","2","","","","","","","","5","P 1","P 1","1","","N-(6-ethoxy-3-hydroxy-2-(trifluoromethyl)-tetrahydro-2H-pyran-4-yl)- 2,2,2-trifluoro-N-(1-phenylethyl)acetamide","","- C18 H21 F6 N O4 -","- C18 H21 F6 N O4 -","- C36 H42 F12 N2 O8 -","2","2","","Hayman, Colin M.; Larsen, David S.; Simpson, Jim; Bailey, Karl B.; Gill, Gurmit Singh","A stereoselective synthesis of 6,6,6-trifluoro-L-daunosamine and 6,6,6-trifluoro-L-acosamine.","Organic & biomolecular chemistry","2006","4","14","2794","2800","10.1039/b606055b","","","0.71073","MoKα","","0.0361","0.0312","","","0.0779","0.08","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151258","6.953","0.0001","7.9824","0.0002","26.3031","0.0006","90","","92.122","0.001","90","","1458.86","0.05","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-(2,6-Dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-4-morpholin-4- yl-pyridinium chloride","1-(2,6-Dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-4-morpholin-4-yl- pyridinium chloride","","- C13 H17 Cl N4 O4 -","- C13 H17 Cl N4 O4 -","- C52 H68 Cl4 N16 O16 -","4","1","","Schmidt, Andreas; Lindner, Anika; Nieger, Martin; Ruiz-Delgado, Maria del Carmen; Ramirez, Francisco Javier","Syntheses, pi-stacking interactions and base-pairings of uracil pyridinium salts and uracilyl betaines with nucleobases.","Organic & biomolecular chemistry","2006","4","16","3056","3066","10.1039/b606249k","","","0.71073","MoKα","","0.0355","0.0296","","","0.0793","0.082","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151259","13.4485","0.0012","6.4673","0.0006","9.3711","0.0006","90","","90","","90","","815.06","0.12","123","2","123","2","","","","","","","","4","P n m a","-P 2ac 2n","62","adeninediium dichloride","adeninediium dichloride","","- C5 H7 Cl2 N5 -","- C5 H7 Cl2 N5 -","- C20 H28 Cl8 N20 -","4","0.5","","Schmidt, Andreas; Lindner, Anika; Nieger, Martin; Ruiz-Delgado, Maria del Carmen; Ramirez, Francisco Javier","Syntheses, pi-stacking interactions and base-pairings of uracil pyridinium salts and uracilyl betaines with nucleobases.","Organic & biomolecular chemistry","2006","4","16","3056","3066","10.1039/b606249k","","","0.71073","MoKα","","0.0318","0.0265","","","0.0702","0.0717","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151260","11.2621","0.0011","5.2062","0.0005","14.3092","0.0014","90","","109.094","0.005","90","","792.83","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O -","- C17 H25 N O -","- C34 H50 N2 O2 -","2","1","","Cooksey, John P.; Kocienski, Philip J.; Li, Ying-fa; Schunk, Stefan; Snaddon, Thomas N.","Synthesis of the C1-C16 fragment of ionomycin using a neutral (eta3-allyl)iron complex.","Organic & biomolecular chemistry","2006","4","17","3325","3336","10.1039/b606262h","","","0.71073","MoKα","","0.0338","0.0319","","","0.0797","0.0818","","","","","","1.084","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151261","8.7353","0.0007","9.81","0.0008","18.0556","0.0014","90","","90","","90","","1547.2","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05315","","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C72 H64 N16 O8 -","4","1","","Zhang, Xuejun; Hsung, Richard P.; You, Lingfeng","Tandem azidination- and hydroazidination-Huisgen [3 + 2] cycloadditions of ynamides. Synthesis of chiral amide-substituted triazoles.","Organic & biomolecular chemistry","2006","4","14","2679","2682","10.1039/b606680a","","","0.71073","MoKα","","0.0423","0.0332","","","0.0768","0.0837","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151262","10.634","0.0003","12.144","0.0004","15.956","0.0008","90","","108.102","0.0014","90","","1958.56","0.13","293","2","293","2","","","","","","","synthesised by authors","5","P 1 21 1","P 2yb","4","((1S)-1-(N'-(4-Bromo-benzyl)-N'-((2S)-2-((1S)-2,2-dimethyl-1- methylcarbamoyl-propylcarbamoyl)-2-hydroxy-3-phenyl-propyl) - hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester ethanol solvate","","","- C34 H52 Br N5 O7 -","- C34 H52 Br N5 O7 -","- C68 H104 Br2 N10 O14 -","2","1","","Ekegren, Jenny K.; Gising, Johan; Wallberg, Hans; Larhed, Mats; Samuelsson, Bertil; Hallberg, Anders","Variations of the P2 group in HIV-1 protease inhibitors containing a tertiary alcohol in the transition-state mimicking scaffold.","Organic & biomolecular chemistry","2006","4","16","3040","3043","10.1039/b606859f","","","0.71073","MoKα","","0.1755","0.083","","","0.1804","0.2307","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151263","11.1634","0.0001","11.1634","0.0001","33.8352","0.0005","90","","90","","120","","3651.68","0.07","200","2","200","2","","","","","","","","4","P 61","P 61","169","","","","- C29 H25 O3 P -","- C29 H25 O3 P -","- C174 H150 O18 P6 -","6","1","","Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric synthesis of cyclopropanes and dihydrofurans based on phosphine oxide chemistry.","Organic & biomolecular chemistry","2006","4","16","3108","3112","10.1039/b606874j","","","0.71073","MoKα","","0.0696","0.0582","","","0.1422","0.1514","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151264","5.9419","0.0001","14.361","0.0003","26.6529","0.0007","90","","90","","90","","2274.34","0.09","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 O3 P -","- C29 H27 O3 P -","- C116 H108 O12 P4 -","4","1","","Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric synthesis of cyclopropanes and dihydrofurans based on phosphine oxide chemistry.","Organic & biomolecular chemistry","2006","4","16","3108","3112","10.1039/b606874j","","","0.71073","MoKα","","0.0565","0.0458","","","0.102","0.1075","","","","","","1.104","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151265","8.4713","0.0003","8.5479","0.0003","17.4621","0.0006","83.267","0.002","83.693","0.002","74.518","0.002","1206.09","0.07","180","2","180","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H24 N3 O2 P -","- C29 H24 N3 O2 P -","- C58 H48 N6 O4 P2 -","2","2","","Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric synthesis of cyclopropanes and dihydrofurans based on phosphine oxide chemistry.","Organic & biomolecular chemistry","2006","4","16","3108","3112","10.1039/b606874j","","","0.71073","MoKα","","0.0967","0.0696","","","0.1647","0.186","","","","","","1.106","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151266","5.8939","0.0002","8.5144","0.0003","11.3355","0.0004","82.108","0.002","87.448","0.002","82.337","0.002","558.23","0.03","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H29 O4 P -","- C23 H29 O4 P -","- C23 H29 O4 P -","1","1","","Fox, David J.; Pedersen, Daniel Sejer; Warren, Stuart","Asymmetric synthesis of orthogonally protected trans-cyclopropane gamma-amino acids via intramolecular ring closure.","Organic & biomolecular chemistry","2006","4","16","3113","3116","10.1039/b606879k","","","0.71073","MoKα","","0.0368","0.0351","","","0.0962","0.0978","","","","","","1.14","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151267","5.8203","0.001","11.4038","0.0002","37.8022","0.0009","90","","90","","90","","2509.1","0.4","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl O4 P -","- C27 H30 Cl O4 P -","- C108 H120 Cl4 O16 P4 -","4","1","","Fox, David J.; Pedersen, Daniel Sejer; Petersen, Asger B.; Warren, Stuart","Diphenylphosphinoyl chloride as a chlorinating agent–the selective double activation of 1,2-diols.","Organic & biomolecular chemistry","2006","4","16","3117","3119","10.1039/b606881b","","","0.71073","MoKα","","0.0602","0.0527","","","0.1271","0.1315","","","","","","1.162","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151268","12.2457","0.0002","13.6867","0.0003","22.7701","0.0005","83.977","0.001","80.763","0.001","75.344","0.001","3636.02","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 N3 O3.5 S3 -","- C36 H46 N3 O3.5 S3 -","- C144 H184 N12 O14 S12 -","4","2","","Fox, David J.; Morley, Thomas J.; Warren, Stuart","Episulfonium ion-mediated cyclic peptide and triazine synthesis","Organic & Biomolecular Chemistry","2006","4","16","3120","","10.1039/b606882k","","","0.71073","MoKα","","0.1531","0.0705","","","0.167","0.2067","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151269","14.292","0.006","11.057","0.004","11.287","0.005","90","","92.09","0.007","90","","1782.5","1.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C72 H92 N4 O28 -","4","1","","Mulholland, Nicholas P.; Pattenden, Gerald; Walters, Iain A. S.","A concise total synthesis of salinosporamide A.","Organic & biomolecular chemistry","2006","4","15","2845","2846","10.1039/b607109k","","","0.71073","MoKα","","0.0536","0.0421","","","0.111","0.123","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151270","11.223","0.002","13.252","0.003","16.734","0.003","75.48","0.03","73.58","0.03","70.65","0.03","2218.3","0.9","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","tris{2-(N-n-butyl-benzimidazole)phenyl}-boroxin","","- C51 H51 B3 N6 O3 -","- C51 H51 B3 N6 O3 -","- C102 H102 B6 N12 O6 -","2","1","","Blatch, Alexandrea J.; Chetina, Olga V.; Howard, Judith A. K.; Patrick, Leonard G. F.; Smethurst, Christian A.; Whiting, Andrew","Synthesis and structure of bifunctional N-alkylbenzimidazole phenylboronate derivatives.","Organic & biomolecular chemistry","2006","4","17","3297","3302","10.1039/b607127a","","","0.71073","MoKα","","0.1419","0.058","","","0.107","0.1304","","","","","","0.885","","","","has coordinates,has disorder","301861","2025-08-22","11:11:49",""
"7151271","8.8738","0.0008","12.5069","0.0013","17.5191","0.0011","96.519","0.006","92.166","0.006","96.945","0.008","1915","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O5 S -","- C20 H18 N2 O5 S -","- C80 H72 N8 O20 S4 -","4","2","","Rastogi, Namrata; Mohan, Renu; Panda, Dulal; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Synthesis and anticancer activity studies of alpha-aminoalkylated conjugated nitroalkenes.","Organic & biomolecular chemistry","2006","4","17","3211","3214","10.1039/b607537a","","","0.71073","MoKα","","0.1953","0.0601","","","0.1154","0.1476","","","","","","0.997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151272","14.2234","0.0007","8.9069","0.0005","21.5226","0.0013","90","","90.89","0.002","90","","2726.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H33 F6 N3 O2 -","- C26 H33 F6 N3 O2 -","- C104 H132 F24 N12 O8 -","4","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.212","0.0753","","","0.1107","0.1431","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151273","9.384","0.001","9.969","0.001","12.623","0.001","81.56","0.01","89.69","0.01","71.13","0.01","1104.2","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H25 F6 N3 O -","- C21 H25 F6 N3 O -","- C42 H50 F12 N6 O2 -","2","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.1332","0.0672","","","0.1491","0.176","","","","","","1.003","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151274","10.0545","0.0008","15.0943","0.0013","21.3967","0.0015","90","","90","","90","","3247.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 F12 N4 O3 -","- C29 H32 F12 N4 O3 -","- C116 H128 F48 N16 O12 -","4","1","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.1547","0.048","","","0.0907","0.1156","","","","","","0.879","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151275","10.5778","0.0009","18.5187","0.0016","11.1532","0.0013","90","","100.724","0.003","90","","2146.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 F6 N3 O -","- C20 H21 F6 N3 O -","- C80 H84 F24 N12 O4 -","4","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.153","0.0629","","","0.1156","0.1434","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151276","8.1767","0.0006","22.874","0.002","10.1933","0.0006","90","","108.158","0.003","90","","1811.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H48 N10 O12 -","- C31 H46 N10 O12 -","- C62 H92 N20 O24 -","2","1","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.0883","0.059","","","0.1565","0.1739","","","","","","0.977","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151277","11.8168","0.0003","16.6626","0.0006","18.2008","0.0005","90","","90","","90","","3583.71","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 N3 O -","- C18 H29 N3 O -","- C144 H232 N24 O8 -","8","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.1234","0.0515","","","0.0843","0.1019","","","","","","0.988","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151278","11.5762","0.0004","12.734","0.0004","16.3923","0.0006","90","","90","","90","","2416.41","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 N3 S -","- C10 H21 N3 S -","- C80 H168 N24 S8 -","8","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.0535","0.035","","","0.0655","0.0696","","","","","","0.963","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151279","8.7335","0.0002","22.165","0.0006","9.9252","0.0003","90","","101.774","0.001","90","","1880.88","0.09","446","2","446","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N3 O -","- C17 H27 N3 O -","- C68 H108 N12 O4 -","4","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.0626","0.0391","","","0.0821","0.0908","","","","","","0.956","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151280","9.1661","0.0004","11.3191","0.0006","15.5757","0.0008","90","","90","","90","","1616.01","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N3 O -","- C17 H27 N3 O -","- C68 H108 N12 O4 -","4","1","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.0475","0.0339","","","0.0683","0.0724","","","","","","0.995","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151281","25.094","0.006","12.755","0.003","19.891","0.005","90","","103.926","0.004","90","","6179","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7,8-dihydro-10-(3,4,5-trimethoxyphenyl)-7,7-dimethyl-5-p-tolyl- 5H-indeno[1,2-b]quinoline-9,11(6H,10H)-dione","","- C34 H34 N O5.5 -","- C34 H34 N O5.5 -","- C272 H272 N8 O44 -","8","1","","Tu, Shu-Jiang; Jiang, Bo; Jia, Run-Hong; Zhang, Jun-Yong; Zhang, Yan; Yao, Chang-Sheng; Shi, Feng","An efficient one-pot, three-component synthesis of indeno[1,2-b]quinoline-9,11(6H,10H)-dione, acridine-1,8(2H,5H)-dione and quinoline-3-carbonitrile derivatives from enaminones.","Organic & biomolecular chemistry","2006","4","19","3664","3668","10.1039/b607575d","","","0.71073","MoKα","","0.1921","0.0731","","","0.1771","0.2391","","","","","","0.998","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151282","8.121","","9.299","","12.532","","90","","91.21","","90","","946.17","","9","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H26.26 N3 O7.63 -","- C15 H26.2688 N3 O7.6344 -","- C30 H52.5376 N6 O15.2688 -","2","1","","Checińska, Lilianna; Mebs, Stefan; Hübschle, Christian B; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter","Reproducibility and transferability of topological data: experimental charge density study of two modifications of L-alanyl-L-tyrosyl-L-alanine.","Organic & biomolecular chemistry","2006","4","17","3242","3251","10.1039/b607744g","","","0.5","synchrotron","","0.0351","0.0293","","","","0.0208","","","","","","2.0596","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151283","8.845","","9.0567","","12.3638","","90","","94.563","","90","","987.282","","20","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C34 H54 N6 O12 -","2","1","","Checińska, Lilianna; Mebs, Stefan; Hübschle, Christian B; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter","Reproducibility and transferability of topological data: experimental charge density study of two modifications of L-alanyl-L-tyrosyl-L-alanine.","Organic & biomolecular chemistry","2006","4","17","3242","3251","10.1039/b607744g","","","0.71073","MoKα","","0.0264","0.0223","","","","0.0177","","","","","","1.6277","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151284","7.381","0.001","11.493","0.001","11.058","0.001","90","","95.02","0.01","90","","934.45","0.17","198","2","198","2","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","7-hydroxy-9H-carbazole-3-carbaldehyde","","- C13 H9 N O2 -","- C13 H9 N O2 -","- C52 H36 N4 O8 -","4","1","","Krahl, Micha P.; Jäger, Anne; Krause, Tilo; Knölker, Hans-Joachim","First total synthesis of the 7-oxygenated carbazole alkaloids clauszoline-K, 3-formyl-7-hydroxycarbazole, clausine M, clausine N and the anti-HIV active siamenol using a highly efficient palladium-catalyzed approach.","Organic & biomolecular chemistry","2006","4","17","3215","3219","10.1039/b607792g","","x-ray","0.71073","MoKα","","0.0608","0.0414","","","0.1062","0.1192","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151285","8.118","0.003","9.02","0.002","9.143","0.003","101.1","0.02","102.27","0.03","104.33","0.03","612.2","0.4","198","2","198","2","","","","","","","synthesis","4","P -1","-P 1","2","Clausine C (Clauszoline L)","methyl 7-methoxy-9H-carbazole-3-carboxylate","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C30 H26 N2 O6 -","2","1","","Krahl, Micha P.; Jäger, Anne; Krause, Tilo; Knölker, Hans-Joachim","First total synthesis of the 7-oxygenated carbazole alkaloids clauszoline-K, 3-formyl-7-hydroxycarbazole, clausine M, clausine N and the anti-HIV active siamenol using a highly efficient palladium-catalyzed approach.","Organic & biomolecular chemistry","2006","4","17","3215","3219","10.1039/b607792g","","x-ray","0.71073","MoKα","","0.0612","0.045","","","0.1141","0.1255","","","","","","1.097","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151286","22.924","0.003","5.787","0.0001","8.02","0.0001","90","","96.98","0.03","90","","1056.06","0.16","198","2","198","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","2-methoxy-6-methyl-9H-carbazole","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","","Krahl, Micha P.; Jäger, Anne; Krause, Tilo; Knölker, Hans-Joachim","First total synthesis of the 7-oxygenated carbazole alkaloids clauszoline-K, 3-formyl-7-hydroxycarbazole, clausine M, clausine N and the anti-HIV active siamenol using a highly efficient palladium-catalyzed approach.","Organic & biomolecular chemistry","2006","4","17","3215","3219","10.1039/b607792g","","x-ray","0.71073","MoKα","","0.0566","0.0457","","","0.1179","0.1277","","","","","","1.103","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151287","6.642","0.001","7.761","0.001","11.984","0.005","90","","105.13","0.03","90","","596.3","0.3","198","2","198","2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","3-bromo-2-methoxy-6-methyl-9H-carbazole","","- C14 H12 Br N O -","- C14 H12 Br N O -","- C28 H24 Br2 N2 O2 -","2","1","","Krahl, Micha P.; Jäger, Anne; Krause, Tilo; Knölker, Hans-Joachim","First total synthesis of the 7-oxygenated carbazole alkaloids clauszoline-K, 3-formyl-7-hydroxycarbazole, clausine M, clausine N and the anti-HIV active siamenol using a highly efficient palladium-catalyzed approach.","Organic & biomolecular chemistry","2006","4","17","3215","3219","10.1039/b607792g","","x-ray","0.71073","MoKα","","0.0269","0.022","","","0.044","0.0453","","","","","","1.084","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151288","14.321","0.002","11.583","0.003","17.877","0.002","90","","104.49","0.008","90","","2871.1","0.9","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 N O2 -","- C34 H39 N O2 -","- C136 H156 N4 O8 -","4","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.11702","0.074","","","0.18329","0.20145","","","","","","1.75","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151289","9.081","0.002","20.626","0.004","15.6","0.003","90","","98.69","0.02","90","","2888.4","1","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H35 N O2 -","- C36 H35 N O2 -","- C144 H140 N4 O8 -","4","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.15362","0.06905","","","0.1593","0.20345","","","","","","1.423","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151290","10.088","0.008","16.317","0.006","9.031","0.006","91.18","0.04","97.28","0.06","72.73","0.04","1407.9","1.6","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 N O2 S -","- C34 H33 N O2 S -","- C68 H66 N2 O4 S2 -","2","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.27713","0.10888","","","0.24298","0.28412","","","","","","1.601","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151291","9.471","0.005","30.489","0.006","10.734","0.005","90","","114.03","0.03","90","","2831","2","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C34 H39 N O2 -","- C34 H39 N O2 -","- C136 H156 N4 O8 -","4","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.11358","0.05277","","","0.1171","0.16084","","","","","","1.102","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151292","20.947","0.007","31.759","0.007","8.758","0.007","90","","90","","90","","5826","5","296.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H35 N O2 -","- C36 H35 N O2 -","- C288 H280 N8 O16 -","8","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.19307","0.05528","","","0.10825","0.18927","","","","","","0.999","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151293","11.009","0.002","13.949","0.005","9.752","0.002","97.99","0.02","101.46","0.02","72.82","0.02","1397.1","0.7","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 N O2 S -","- C34 H33 N O2 S -","- C68 H66 N2 O4 S2 -","2","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.15428","0.08277","","","0.20434","0.22675","","","","","","1.779","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151294","8.2013","0.0012","10.5938","0.0016","10.916","0.0017","114.849","0.003","101.576","0.003","99.321","0.003","810.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C36 H44 N4 O6 -","2","1","","Wang, Xiaowei; Lou, Qinghua; Guo, Ying; Xu, Yang; Zhang, Zhili; Liu, Junyi","The design and synthesis of 9-phenylcyclohepta[d]pyrimidine-2,4-dione derivatives as potent non-nucleoside inhibitors of HIV reverse transcriptase.","Organic & biomolecular chemistry","2006","4","17","3252","3258","10.1039/b607972p","","","0.71073","MoKα","","0.0654","0.0509","","","0.137","0.1487","","","","","","1.038","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151295","7.1485","0.0011","13.16","0.002","14.239","0.002","90","","90","","90","","1339.5","0.3","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H22 I N O -","- C11 H22 I N O -","- C44 H88 I4 N4 O4 -","4","1","","Gawley, Robert E.; Eddings, Daniel B.; Santiago, Marcelina; Vicic, Davic A.","Diastereoselectivity of polar and radical couplings in electrophilic substitutions of rigid 2-lithio-N-methylpyrrolidines.","Organic & biomolecular chemistry","2006","4","23","4285","4291","10.1039/b608013h","","","0.7107","MoKα","","","0.0534","","","","0.1033","","","","","","1.762","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151296","9.6549","0.0002","12.9703","0.0003","14.7696","0.0004","90","","108.643","0.001","90","","1752.5","0.07","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","5-(4-Methoxybenzylidene)-2-methyl-2-(2-phenylethyl)-1,3- dioxane-4,6-dione","5-(4-Methoxybenzylidene)-2-methyl-2-(2-phenylethyl)-1,3-dioxane-4,6-dione","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Casadesus, Meritxell; Coogan, Michael P.; Ooi, Li-Ling","Synthesis of 5-alkylidene-1,3-dioxane-4,6-diones, an easily accessible family of axially chiral alkenes: preparation in non-racemic form and platinum binding studies.","Organic & biomolecular chemistry","2006","4","20","3822","3830","10.1039/b608785j","","","0.71073","MoKα","","0.0899","0.0524","","","0.1052","0.1171","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151297","20.617","0.001","9.336","0.001","20.742","0.002","90","","95.882","0.006","90","","3971.4","0.6","130","","130","","","","","","","","by syntheses / see text","4","P 1 21/a 1","-P 2yab","14","","","","- C44 H48 O10 S2 -","- C44 H48 O10 S2 -","- C176 H192 O40 S8 -","4","1","","Geertsema, Edzard M.; Schoevaars, Anne Marie; Meetsma, Auke; Feringa, Ben L.","Bisthioxanthylidene biscrown ethers as potential stereodivergent chiral ligands","Organic & Biomolecular Chemistry","2006","4","22","4101","","10.1039/b609271c","","","0.71073","MoKα","","0.1665","0.1148","","","0.3048","0.3425","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151298","12.865","0.011","15.761","0.011","19.557","0.011","90","","90","","90","","3965","5","210","2","210","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Br N O2 -","- C23 H19 Br N O2 -","- C184 H152 Br8 N8 O16 -","8","2","","Booker, James E. M.; Boto, Alicia; Churchill, Gwydion H.; Green, Clive P.; Ling, Matthew; Meek, Graham; Prabhakaran, Jaya; Sinclair, David; Blake, Alexander J.; Pattenden, Gerald","Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions","Organic & Biomolecular Chemistry","2006","4","22","4193","","10.1039/b609604b","","","0.71073","MoKα","","0.218","0.111","","0.24","0.175","","","","1.33","1.37","1.37","","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151299","9.5722","0.0011","11.5881","0.0013","23.044","0.003","90","","90","","90","","2556.1","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N O5 -","- C27 H35 N O5 -","- C108 H140 N4 O20 -","4","1","","Booker, James E. M.; Boto, Alicia; Churchill, Gwydion H.; Green, Clive P.; Ling, Matthew; Meek, Graham; Prabhakaran, Jaya; Sinclair, David; Blake, Alexander J.; Pattenden, Gerald","Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions","Organic & Biomolecular Chemistry","2006","4","22","4193","","10.1039/b609604b","","","0.71073","MoKα","","0.0359","0.0297","","","0.0753","0.0787","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151300","11.7081","0.0008","10.0539","0.0007","13.8008","0.001","90","","97.039","0.002","90","","1612.3","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 I N O5 -","- C34 H40 I N O5 -","- C68 H80 I2 N2 O10 -","2","1","","Booker, James E. M.; Boto, Alicia; Churchill, Gwydion H.; Green, Clive P.; Ling, Matthew; Meek, Graham; Prabhakaran, Jaya; Sinclair, David; Blake, Alexander J.; Pattenden, Gerald","Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions","Organic & Biomolecular Chemistry","2006","4","22","4193","","10.1039/b609604b","","","0.71073","MoKα","","0.0338","0.0286","","","0.0649","0.0675","","","","","","0.954","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151301","9.4857","0.001","9.8441","0.001","13.0354","0.0014","90","","100.138","0.002","90","","1198.2","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2-dimethyl-4-(S)-spiro[4H-1-benzopyran-4R,4'-(3'H)-[1H-2] benzopyran-3(S)-yl]oxazolidinine-3-carboxylic acod tert butyl carbamate","","- C27 H31 N O5 -","- C27 H31 N O5 -","- C54 H62 N2 O10 -","2","1","","Booker, James E. M.; Boto, Alicia; Churchill, Gwydion H.; Green, Clive P.; Ling, Matthew; Meek, Graham; Prabhakaran, Jaya; Sinclair, David; Blake, Alexander J.; Pattenden, Gerald","Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions","Organic & Biomolecular Chemistry","2006","4","22","4193","","10.1039/b609604b","","","0.71073","MoKα","","0.0574","0.0376","","","0.0678","0.0739","","","","","","0.928","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151302","34.004","0.004","15.738","0.003","26.894","0.004","90","","122.233","0.005","90","","12174","3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61.5 H76.5 Cl1.5 N6 O6 -","- C61.5 H76.5 Cl1.5 N6 O6 -","- C492 H612 Cl12 N48 O48 -","8","1","","Rudzevich, Yuliya; Rudzevich, Valentyn; Schollmeyer, Dieter; Thondorf, Iris; Böhmer, Volker","Hydrogen bonding in dimers of tritolyl and tritosylurea derivatives of triphenylmethanes.","Organic & biomolecular chemistry","2006","4","21","3938","3944","10.1039/b609707c","","","1.54178","CuKα","","0.151","0.1004","","","0.292","0.326","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151303","14.362","0.0006","14.73","0.0006","18.993","0.0006","67.851","0.001","70.264","0.001","80.386","0.001","3499.3","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H78 Cl6 N6 O12 S3 -","- C63 H78 Cl6 N6 O12 S3 -","- C126 H156 Cl12 N12 O24 S6 -","2","1","","Rudzevich, Yuliya; Rudzevich, Valentyn; Schollmeyer, Dieter; Thondorf, Iris; Böhmer, Volker","Hydrogen bonding in dimers of tritolyl and tritosylurea derivatives of triphenylmethanes.","Organic & biomolecular chemistry","2006","4","21","3938","3944","10.1039/b609707c","","","0.71073","MoKα","","0.1602","0.0909","","","0.2362","0.2816","","","","","","1.039","","","","has coordinates,has disorder","301861","2025-08-22","11:11:49",""
"7151304","5.8431","0.0012","7.9668","0.0017","9.1733","0.0019","114.831","0.003","97.043","0.003","99.449","0.003","373.43","0.14","293","2","293","2","","","","","","","","4","P 1","P 1","1","pivaloyl-prolyl-glycyl-N-methyl amide","pivaloyl-prolyl-glycyl-N-methyl amide","","- C13 H23 N3 O3 -","- C13 H23 N3 O3 -","- C13 H23 N3 O3 -","1","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.0369","0.0365","","","0.0979","0.0983","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151305","6.297","0.003","11.589","0.005","22.503","0.009","90","","90","","90","","1642.2","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pivaloyl-prolyl-beta-glycyl-N-methyl amide","pivaloyl-prolyl-beta-glycyl-N-methyl amide","","- C14 H27 N3 O4 -","- C14 H27 N3 O4 -","- C56 H108 N12 O16 -","4","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.0487","0.0439","","","0.1211","0.1246","","","","","","1.076","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151306","6.157","0.002","11.547","0.004","23.404","0.008","90","","90","","90","","1663.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pivaloyl-prolyl-beta-glycyl-methyl ester","pivaloyl-prolyl-beta-glycyl-methyl ester","","- C14 H26 N2 O5 -","- C14 H26 N2 O5 -","- C56 H104 N8 O20 -","4","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.0556","0.05","","","0.1379","0.1428","","","","","","1.124","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151307","11.33","0.01","25.56","0.02","6.243","0.006","90","","90","","90","","1808","3","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","pivaloyl-prolyl-delta-aminovaleric acid-methyl ester","pivaloyl-prolyl-delta-aminovaleric acid-methyl ester","","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","- C64 H112 N8 O20 -","4","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.098","0.0919","","","0.2344","0.2382","","","","","","1.143","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151308","9.7591","0.0016","9.7591","0.0016","29.158","0.01","90","","90","","120","","2405","1","293","2","293","2","","","","","","","","4","P 61","P 61","169","t-butyloxycarbonyl-prolyl-gaba-aminobutyric acid","t-butyloxycarbonyl-prolyl-gaba-aminobutyric acid","","- C14 H24 N2 O5 -","- C14 H24 N2 O5 -","- C84 H144 N12 O30 -","6","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.099","0.0773","","","0.1243","0.1306","","","","","","1.263","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151309","24.3549","0.0008","13.9993","0.0004","26.1244","0.0007","90","","94.689","0.002","90","","8877.3","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H45 Cl3 N4 O2 -","- C49 H45 Cl3 N4 O2 -","- C392 H360 Cl24 N32 O16 -","8","1","","Gu, Rong; Van Hecke, Kristof; Van Meervelt, Luc; Toppet, Suzanne; Dehaen, Wim","Oxidative reactions of 6-pentyl indolo[3,2-b]carbazole: formation of novel C-C and C-N coupled dimers.","Organic & biomolecular chemistry","2006","4","20","3785","3789","10.1039/b610040f","","","1.54178","CuKα","","0.1108","0.0776","","","0.1669","0.1793","","","","","","1.042","","","","has coordinates,has disorder","301861","2025-08-22","11:11:49",""
"7151310","12.4498","0.0007","13.0721","0.0006","17.1213","0.0008","76.028","0.003","88.352","0.004","64.368","0.003","2428.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H60 N4 O3 -","- C55 H60 N4 O3 -","- C110 H120 N8 O6 -","2","1","","Gu, Rong; Van Hecke, Kristof; Van Meervelt, Luc; Toppet, Suzanne; Dehaen, Wim","Oxidative reactions of 6-pentyl indolo[3,2-b]carbazole: formation of novel C-C and C-N coupled dimers.","Organic & biomolecular chemistry","2006","4","20","3785","3789","10.1039/b610040f","","","1.54178","CuKα","","0.0811","0.0711","","","0.1454","0.1497","","","","","","1.043","","","","has coordinates,has disorder","301861","2025-08-22","11:11:49",""
"7151311","18.188","0.003","7.049","0.001","17.257","0.002","90","","121.24","0.002","90","","1891.7","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H23 N O -","- C25 H23 N O -","- C100 H92 N4 O4 -","4","1","","Adams, Harry; Bawa, Ramadan A.; Jones, Simon","N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives","Organic & Biomolecular Chemistry","2006","4","22","4206","","10.1039/b610055d","","","0.71073","MoKα","","0.0535","0.037","","","0.086","0.0943","","","","","","1.098","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151312","7.284","0.003","9.462","0.003","18.426","0.006","76.24","0.005","84.707","0.006","68.069","0.005","1144.2","0.7","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H27 N O -","- C31 H27 N O -","- C62 H54 N2 O2 -","2","2","","Adams, Harry; Bawa, Ramadan A.; Jones, Simon","N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives","Organic & Biomolecular Chemistry","2006","4","22","4206","","10.1039/b610055d","","","0.71073","MoKα","","0.0826","0.0538","","","0.1255","0.1422","","","","","","1","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151313","7.6834","0.001","10.5554","0.0014","16.299","0.002","90","","93.517","0.002","90","","1319.4","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H30 Cl2 N2 O3 -","- C31 H30 Cl2 N2 O3 -","- C62 H60 Cl4 N4 O6 -","2","1","","Adams, Harry; Bawa, Ramadan A.; Jones, Simon","N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives","Organic & Biomolecular Chemistry","2006","4","22","4206","","10.1039/b610055d","","","0.71073","MoKα","","0.0343","0.0309","","","0.0745","0.0766","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151314","10.3383","0.0014","9.6773","0.0013","14.613","0.002","90","","108.054","0.002","90","","1390","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H32 N2 O3 -","- C36 H32 N2 O3 -","- C72 H64 N4 O6 -","2","1","","Adams, Harry; Bawa, Ramadan A.; Jones, Simon","N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives","Organic & Biomolecular Chemistry","2006","4","22","4206","","10.1039/b610055d","","","0.71073","MoKα","","0.058","0.0386","","","0.0851","0.0935","","","","","","1.097","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151315","11.945","0.001","11.653","0.002","16.339","0.002","90","","127.717","0.007","90","","1799.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","","Heureux, Nicolas; Wouters, Johan; Norberg, Bernadette; Markó, István E","Short, asymmetric synthesis of epi-morphine ACNO analogues.","Organic & biomolecular chemistry","2006","4","21","3898","3900","10.1039/b610148h","","","1.54178","CuKα","","0.0422","0.0402","","","0.114","0.1159","","","","","","1.071","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151316","17.576","0.003","15.667","0.002","7.465","0.001","90","","90.461","0.011","90","","2055.5","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","","Heureux, Nicolas; Wouters, Johan; Norberg, Bernadette; Markó, István E","Short, asymmetric synthesis of epi-morphine ACNO analogues.","Organic & biomolecular chemistry","2006","4","21","3898","3900","10.1039/b610148h","","","1.54178","CuKα","","0.0387","0.0378","","","0.1093","0.1105","","","","","","1.1","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151317","9.1809","0.0018","6.4336","0.0012","11.416","0.002","90","","108.32","0.004","90","","640.1","0.2","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O -","- C14 H22 O -","- C28 H44 O2 -","2","1","","Chang, Wen-Sheng; Shia, Kak-Shan; Liu, Hsing-Jang; Wei Ly, Tai","The first total synthesis of xenitorins B and C: assignment of absolute configuration.","Organic & biomolecular chemistry","2006","4","20","3751","3753","10.1039/b610427d","","","0.71073","MoKα","","0.0759","0.0436","","","0.0947","0.1042","","","","","","0.841","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151318","11.6475","0.0003","14.2692","0.0003","12.073","0.0003","90","","106.561","0.001","90","","1923.3","0.08","120","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 O3 P S2 -","- C21 H21 O3 P S2 -","- C84 H84 O12 P4 S8 -","4","1","","Ju-Nam, Yon; Bricklebank, Neil; Allen, David W.; Gardiner, Philip H. E.; Light, Mark E.; Hursthouse, Michael B.","Phosphonioalkylthiosulfate zwitterions–new masked thiol ligands for the formation of cationic functionalised gold nanoparticles.","Organic & biomolecular chemistry","2006","4","23","4345","4351","10.1039/b610480k","","","","","","0.0565","0.0416","","","0.0994","0.1068","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151319","9.05","0.0003","14.3012","0.0004","15.0732","0.0006","90","","96.326","0.002","90","","1938.98","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H33 O3 P S2 -","- C15 H33 O3 P S2 -","- C60 H132 O12 P4 S8 -","4","1","","Ju-Nam, Yon; Bricklebank, Neil; Allen, David W.; Gardiner, Philip H. E.; Light, Mark E.; Hursthouse, Michael B.","Phosphonioalkylthiosulfate zwitterions–new masked thiol ligands for the formation of cationic functionalised gold nanoparticles.","Organic & biomolecular chemistry","2006","4","23","4345","4351","10.1039/b610480k","","","0.71073","MoKα","","0.0775","0.0594","","","0.1487","0.1589","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151320","11.7699","0.0008","9.9771","0.0007","21.9102","0.0015","90","","90","","90","","2572.9","0.3","193","2","193","2","","","","","","","","4","P c a 21","P 2c -2ac","29","milkb01","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C112 H136 N8 O24 -","8","2","","Bucholtz, Kevin M.; Gareiss, Peter C.; Tajc, Stephen G.; Miller, Benjamin L.","Synthesis and evaluation of the first cis-cyclobutane-containing receptor for lipid A.","Organic & biomolecular chemistry","2006","4","21","3973","3979","10.1039/b610727c","","","0.71073","MoKα","","0.0718","0.0568","","","0.1521","0.1608","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151321","14.322","0.004","8.975","0.002","17.157","0.004","90","","97.742","0.005","90","","2185.3","0.9","95","2","95","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H48 Cl N3 O5 -","- C53 H48 Cl N3 O5 -","- C106 H96 Cl2 N6 O10 -","2","1","","Zhang, Weicheng; Wu, Shulin; Zhang, Zhaoguo; Yennawar, Hemant; Zhang, Xumu","Practical synthesis of chiral 9,9'-spirobixanthene-1,1'-diol.","Organic & biomolecular chemistry","2006","4","24","4474","4477","10.1039/b610879b","","","0.71073","MoKα","","0.1015","0.0571","","","0.1314","0.1637","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151322","9.2512","0.0015","19.807","0.003","34.048","0.005","90","","90","","90","","6238.9","1.7","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63.53 H64.29 Cl N7.76 O6 -","- C63.528 H64.292 Cl N7.764 O6 -","- C254.112 H257.168 Cl4 N31.056 O24 -","4","1","","Zhang, Weicheng; Wu, Shulin; Zhang, Zhaoguo; Yennawar, Hemant; Zhang, Xumu","Practical synthesis of chiral 9,9'-spirobixanthene-1,1'-diol.","Organic & biomolecular chemistry","2006","4","24","4474","4477","10.1039/b610879b","","","0.71073","MoKα","","0.0795","0.067","","","0.1627","0.169","","","","","","1.07","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151323","28.768","0.005","8.9966","0.0012","17.703","0.003","90","","108.727","0.004","90","","4339.2","1.2","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 N2 O4 -","- C27 H24 N2 O4 -","- C216 H192 N16 O32 -","8","1","","Tu, Shu-Jiang; Jiang, Bo; Zhang, Jun-Yong; Jia, Run-Hong; Zhang, Yan; Yao, Chang-Sheng","Efficient and direct synthesis of poly-substituted indeno[1,2-b]quinolines assisted by p-toluene sulfonic acid using high-temperature water and microwave heating via one-pot, three-component reaction.","Organic & biomolecular chemistry","2006","4","21","3980","3985","10.1039/b611462h","","","0.7107","MoKα","","0.0758","0.0617","","","0.1182","0.124","","","","","","1.195","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151324","15.081","0.002","9.4381","0.0014","35.102","0.006","90","","92.041","0.003","90","","4993.1","1.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H53 N3 O5 S2 -","- C59 H53 N3 O5 S2 -","- C236 H212 N12 O20 S8 -","4","1","","Tu, Shu-Jiang; Jiang, Bo; Zhang, Jun-Yong; Jia, Run-Hong; Zhang, Yan; Yao, Chang-Sheng","Efficient and direct synthesis of poly-substituted indeno[1,2-b]quinolines assisted by p-toluene sulfonic acid using high-temperature water and microwave heating via one-pot, three-component reaction.","Organic & biomolecular chemistry","2006","4","21","3980","3985","10.1039/b611462h","","","0.71073","MoKα","","0.1602","0.0629","","","0.1486","0.2054","","","","","","1.005","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151325","10.6783","0.0003","8.1891","0.0002","11.1365","0.0003","90","","98.9319","0.0017","90","","962.03","0.04","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C18 H25 N O6 S -","- C18 H25 N O6 S -","- C36 H50 N2 O12 S2 -","2","1","","Moloney, Mark G.; Panchal, Terry; Pike, Richard","trans-2,5-Disubstituted pyrrolidines: Rapid stereocontrolled access from sulfones.","Organic & biomolecular chemistry","2006","4","21","3894","3897","10.1039/b611583g","","","0.71073","MoKα","","0.0522","0.0334","","0.0553","0.034","0.034","","","","","","1.1154","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151326","7.6916","0.0003","11.7602","0.0005","8.2773","0.0004","90","","95.392","0.003","90","","745.41","0.06","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","","Smith, Timothy R.; Clark, Andrew J.; Clarkson, Guy J.; Taylor, Paul C.; Marsh, Andrew","Concise enantioselective synthesis of abscisic acid and a new analogue","Organic & Biomolecular Chemistry","2006","4","22","4186","","10.1039/b611880a","","","1.54178","CuKα","","0.0387","0.0348","","","0.0846","0.0879","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151327","11.5181","0.0009","11.8484","0.0009","18.2094","0.0014","96.201","0.002","105.504","0.001","113.542","0.001","2129.4","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H36 Br2 Cl2 O2 P2 Pd S -","- C43 H36 Br2 Cl2 O2 P2 Pd S -","- C86 H72 Br4 Cl4 O4 P4 Pd2 S2 -","2","1","","Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; de Lera, Angel R.","Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARbeta/delta agonists.","Organic & biomolecular chemistry","2006","4","24","4514","4525","10.1039/b612235c","","","0.71073","MoKα","","0.0953","0.0471","","","0.0894","0.0989","","","","","","0.851","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151328","25.7511","0.0018","13.0925","0.0009","11.5739","0.0008","90","","113.781","0.001","90","","3570.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 Br2 P2 Pd S -","- C40 H32 Br2 P2 Pd S -","- C160 H128 Br8 P8 Pd4 S4 -","4","0.5","","Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; de Lera, Angel R.","Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARbeta/delta agonists.","Organic & biomolecular chemistry","2006","4","24","4514","4525","10.1039/b612235c","","","0.71073","MoKα","","0.1024","0.0709","","","0.2024","0.2102","","","","","","1.157","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151329","11.6242","0.0008","11.8469","0.0009","16.614","0.0013","90.399","0.001","105.424","0.002","98.501","0.001","2178.7","0.3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H34 Br2 Cl3 N O2 P2 Pd S -","- C42 H34 Br2 Cl3 N O2 P2 Pd S -","- C84 H68 Br4 Cl6 N2 O4 P4 Pd2 S2 -","2","1","","Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; de Lera, Angel R.","Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARbeta/delta agonists.","Organic & biomolecular chemistry","2006","4","24","4514","4525","10.1039/b612235c","","","0.71073","MoKα","","0.0916","0.0548","","","0.1358","0.1539","","","","","","0.909","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151330","25.775","0.004","13.4291","0.0019","11.7221","0.0016","90","","113.582","0.003","90","","3718.6","0.9","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H33 Br2 N O P2 Pd S -","- C40 H33 Br2 N O P2 Pd S -","- C160 H132 Br8 N4 O4 P8 Pd4 S4 -","4","0.5","","Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; de Lera, Angel R.","Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARbeta/delta agonists.","Organic & biomolecular chemistry","2006","4","24","4514","4525","10.1039/b612235c","","","0.71073","MoKα","","0.1219","0.0794","","","0.2022","0.2156","","","","","","1.142","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151331","21.459","0.003","11.2009","0.0016","22.854","0.003","90","","102.583","0.004","90","","5361.3","1.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Br F3 O2 P2 Pd S -","- C50 H40 Br F3 O2 P2 Pd S -","- C200 H160 Br4 F12 O8 P8 Pd4 S4 -","4","1","","Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; de Lera, Angel R.","Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARbeta/delta agonists.","Organic & biomolecular chemistry","2006","4","24","4514","4525","10.1039/b612235c","","","0.71073","MoKα","","0.1949","0.094","","","0.2117","0.2483","","","","","","0.986","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151332","17.0768","0.0012","14.1377","0.001","27.7514","0.0019","90","","90","","90","","6699.9","0.8","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H30 N4 Ni O2 -","- C45 H30 N4 Ni O2 -","- C360 H240 N32 Ni8 O16 -","8","1","","Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski","Photochemical preparation of pyrrole ring-contracted chlorins by the Wolff rearrangement","Organic & Biomolecular Chemistry","2006","4","22","4059","","10.1039/b612776m","","","0.71073","MoKα","","0.0532","0.044","","","0.1026","0.1073","","","","","","1.229","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151333","17.074","0.003","14.209","0.002","27.882","0.004","90","","90","","90","","6764.3","1.8","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H30 Cu N4 O2 -","- C45 H30 Cu N4 O2 -","- C360 H240 Cu8 N32 O16 -","8","1","","Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski","Photochemical preparation of pyrrole ring-contracted chlorins by the Wolff rearrangement","Organic & Biomolecular Chemistry","2006","4","22","4059","","10.1039/b612776m","","","0.71073","MoKα","","0.0926","0.0522","","","0.1065","0.1234","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151334","18.111","0.004","14.986","0.004","27.852","0.006","90","","102.635","0.005","90","","7376","3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C91 H58 Cl6 N8 Ni2 O2 -","- C91 H58 Cl6 N8 Ni2 O2 -","- C364 H232 Cl24 N32 Ni8 O8 -","4","1","","Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski","Photochemical preparation of pyrrole ring-contracted chlorins by the Wolff rearrangement","Organic & Biomolecular Chemistry","2006","4","22","4059","","10.1039/b612776m","","","0.71073","MoKα","","0.1465","0.0715","","","0.1805","0.2276","","","","","","1.011","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151335","9.227","0.002","12.144","0.003","12.904","0.003","90","","91.55","0.015","90","","1445.4","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cl N2 O2 -","- C14 H15 Cl N2 O2 -","- C56 H60 Cl4 N8 O8 -","4","1","","Helm, Matthew D.; Plant, Andrew; Harrity, Joseph P. A.","A novel approach to functionalised pyridazinone arrays.","Organic & biomolecular chemistry","2006","4","23","4278","4280","10.1039/b613223e","","","0.71073","MoKα","","0.0916","0.0418","","","0.1055","0.1266","","","","","","0.99","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151336","25.7394","0.001","25.7394","0.001","5.9168","0.0006","90","","90","","90","","3920","0.5","150","2","150","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C21 H18 Cl N3 O4 -","- C21 H18 Cl N3 O4 -","- C168 H144 Cl8 N24 O32 -","8","1","","Helm, Matthew D.; Plant, Andrew; Harrity, Joseph P. A.","A novel approach to functionalised pyridazinone arrays.","Organic & biomolecular chemistry","2006","4","23","4278","4280","10.1039/b613223e","","","0.71073","MoKα","","0.0801","0.045","","","0.0966","0.1143","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151337","5.9604","0.0012","8.5899","0.0017","17.36","0.003","92.596","0.004","95.039","0.004","99.803","0.004","870.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H29 N O6 -","- C18 H29 N O6 -","- C36 H58 N2 O12 -","2","1","","Amewu, Richard; Stachulski, Andrew V.; Ward, Stephen A.; Berry, Neil G.; Bray, Patrick G.; Davies, Jill; Labat, Gael; Vivas, Livia; O'Neill, Paul M","Design and synthesis of orally active dispiro 1,2,4,5-tetraoxanes; synthetic antimalarials with superior activity to artemisinin.","Organic & biomolecular chemistry","2006","4","24","4431","4436","10.1039/b613565j","","","0.71073","MoKα","","0.0948","0.0761","","","0.1793","0.1924","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151338","6.261","0.0006","37.479","0.003","8.6291","0.0008","90","","90.841","0.002","90","","2024.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 N O6 -","- C22 H33 N O6 -","- C88 H132 N4 O24 -","4","1","","Amewu, Richard; Stachulski, Andrew V.; Ward, Stephen A.; Berry, Neil G.; Bray, Patrick G.; Davies, Jill; Labat, Gael; Vivas, Livia; O'Neill, Paul M","Design and synthesis of orally active dispiro 1,2,4,5-tetraoxanes; synthetic antimalarials with superior activity to artemisinin.","Organic & biomolecular chemistry","2006","4","24","4431","4436","10.1039/b613565j","","","0.71073","MoKα","","0.0779","0.0707","","","0.1875","0.1943","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151339","7.5911","0.0012","14.524","0.002","26.489","0.004","90","","90","","90","","2920.5","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Br N2 O -","- C18 H11 Br N2 O -","- C144 H88 Br8 N16 O8 -","8","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.0829","0.0408","","","0.0678","0.0776","","","","","","0.868","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151340","8.6767","0.0012","7.7705","0.0011","19.715","0.003","90","","91.173","0.003","90","","1329","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 F N2 O -","- C18 H11 F N2 O -","- C72 H44 F4 N8 O4 -","4","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.1018","0.0672","","","0.1715","0.1905","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151341","7.605","0.002","14.272","0.004","26.587","0.007","90","","90","","90","","2885.7","1.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Cl N2 O -","- C18 H11 Cl N2 O -","- C144 H88 Cl8 N16 O8 -","8","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.2187","0.0895","","","0.0811","0.1086","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151342","23.342","0.004","7.5017","0.0014","17.36","0.003","90","","103.055","0.003","90","","2961.2","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 Br N2 O -","- C18 H13 Br N2 O -","- C144 H104 Br8 N16 O8 -","8","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.0458","0.0365","","","0.0887","0.0916","","","","","","0.964","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151343","11.686","0.003","7.3469","0.0016","16.098","0.004","90","","99.71","0.004","90","","1362.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 F N2 O -","- C18 H13 F N2 O -","- C72 H52 F4 N8 O4 -","4","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.0689","0.045","","","0.0826","0.0896","","","","","","0.937","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151344","6.223","0.0018","13.841","0.004","15.692","0.005","92.103","0.007","93.903","0.005","102.953","0.005","1312.3","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","2","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.0758","0.0486","","","0.0947","0.1042","","","","","","1.003","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7203848","15.501","0.004","15.497","0.008","10.428","0.003","89.99","0.04","90.02","0.02","90","0.03","2505","1.6","296.2","","","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C28 H60 Cl3 Gd N8 O20 -","- C28 H52 Cl3 Gd N8 O20 -","- C56 H104 Cl6 Gd2 N16 O40 -","2","0.25","","Umebayashi, Yasuhiro; Matsumoto, Kai; Mekata, Isamu; Ishiguro, Shin-ichi","Solvation structure of lanthanide(iii) ions in solvent mixtures of N,N-dimethylformamide and N,N-dimethylacetamide studied by titration Raman spectroscopy","Physical Chemistry Chemical Physics","2002","4","22","5599","5605","10.1039/b204162f","","","0.7107","MoKα","","","0.0442","","","","0.06","","","","","","1","","","","has coordinates","274638","2022-04-22","16:09:43",""
"7203849","7.5429","0.0007","10.9459","0.001","12.1974","0.0011","76.36","0.002","78.1","0.002","74.491","0.002","931.94","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H21 I N2 O S -","- C19 H21 I N2 O S -","- C38 H42 I2 N4 O2 S2 -","2","1","","Tang, Xin-Jing; Wu, Li-Zhu; Zhang, Li-Ping; Tung, Chen-Ho","Two-photon-pumped frequency-upconverted lasing and optical power limiting properties of vinylbenzothiazole-containing compounds in solution","Physical Chemistry Chemical Physics","2002","4","23","5744","5747","10.1039/b206259c","","","0.71073","MoKα","","0.0971","0.0412","","","0.0851","0.1068","","","","","","0.659","","","","has coordinates","274639","2022-04-22","16:14:21",""
"7204391","12.111","0.0009","12.111","0.0009","6.543","0.0004","90","","90","","90","","959.7","0.12","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Ph4Pb","Ph4Pb","","- C6 H5 Pb0.25 -","- C6 H5 Pb0.25 -","- C48 H40 Pb2 -","8","1","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.0559","0.0487","","","0.1319","0.1496","","","","","","1.103","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204392","12.068","0.0004","12.068","0.0004","6.557","0.0003","90","","90","","90","","954.94","0.06","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Ph4Sn","Ph4Sn","","- C24 H20 Sn -","- C24 H20 Sn -","- C48 H40 Sn2 -","2","0.25","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.0338","0.0238","","","0.0594","0.0671","","","","","","1.132","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204393","11.616","0.0005","11.616","","6.902","0.0003","90","","90","","90","","931.3","0.06","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Ph4Ge","Ph4Ge","","- C24 H20 Ge -","- C24 H20 Ge -","- C48 H40 Ge2 -","2","0.25","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.0345","0.0258","","","0.0626","0.0667","","","","","","1.039","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204394","11.4476","0.0009","11.4476","0.0009","7.0644","0.0006","90","","90","","90","","925.77","0.13","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Ph4Si","Ph4Si","","- C6 H5 Si0.25 -","- C6 H5 Si0.25 -","- C48 H40 Si2 -","8","1","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.0456","0.0348","","","0.0745","0.0824","","","","","","1.033","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204395","10.905","0.001","10.905","0.001","7.285","0.0005","90","","90","","90","","866.33","0.13","293","2","293","2","","","","","","","","2","P -4 21 c","P -4 2n","114","Ph4C","Ph4C","","- C6.25 H5 -","- C6.25 H5 -","- C50 H40 -","8","1","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.065","0.0388","","","0.0816","0.0946","","","","","","1.066","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204407","24.9478","0.0009","6.0316","0.0002","8.3285","0.0003","90","","98.391","0.001","90","","1239.82","0.08","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-(5'-bromo-2'-hydroxyphenyl)-1,2,3,4-tetrahydroquinazoline","2-[(2'-amino-benzylimino)-methyl]-4-bromo-phenol","","- C14 H13 Br N2 O -","- C14 H13 Br N2 O -","- C56 H52 Br4 N8 O4 -","4","1","","Correa, Waldo H.; Papadopoulos, Stavroula; Radnidge, Peta; Roberts, Brett A.; Scott, Janet L.","Direct, efficient, solvent-free synthesis of 2-aryl-1,2,3,4-tetrahydroquinazolines","Green Chemistry","2002","4","3","245","","10.1039/b202729c","","","0.71073","MoKα","","0.0513","0.0422","","","0.106","0.1113","","","","","","1.051","","","","has coordinates","301863","2025-08-22","13:06:30",""
"7204408","9.436","0.0005","10.4454","0.0005","12.0165","0.0008","99.837","0.002","98.858","0.002","101.754","0.004","1120.4","0.11","123","2","123","2","","","","","","","","3","P -1","-P 1","2","2-phenyl-1,2,3,4-tetrahydroquinazoline","2-phenyl-1,2,3,4-tetrahydroquinazoline","","- C14 H14 N2 -","- C14 H13 N2 -","- C56 H52 N8 -","4","2","","Correa, Waldo H.; Papadopoulos, Stavroula; Radnidge, Peta; Roberts, Brett A.; Scott, Janet L.","Direct, efficient, solvent-free synthesis of 2-aryl-1,2,3,4-tetrahydroquinazolines","Green Chemistry","2002","4","3","245","","10.1039/b202729c","","","0.71073","MoKα","","0.1408","0.0822","","","0.2063","0.2397","","","","","","1.032","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204409","12.1392","0.0002","7.7897","0.0002","13.5753","0.0003","90","","111.14","0.008","90","","1197.3","0.08","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(2'-nitrophenyl)-1,2,3,4-tetrahydroquinazoline","2-(2'-nitrophenyl)-1,2,3,4-tetrahydroquinazoline","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Correa, Waldo H.; Papadopoulos, Stavroula; Radnidge, Peta; Roberts, Brett A.; Scott, Janet L.","Direct, efficient, solvent-free synthesis of 2-aryl-1,2,3,4-tetrahydroquinazolines","Green Chemistry","2002","4","3","245","","10.1039/b202729c","","","0.71073","MoKα","","0.0635","0.045","","","0.1307","0.1524","","","","","","1.133","","","","has coordinates","301863","2025-08-22","13:06:30",""
"7204410","11.3431","0.0004","8.7088","0.0002","23.4287","0.0005","90","","90","","90","","2314.4","0.11","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(4'-hydroxyphenyl)-1,2,3,4-tetrahydroquinazoline","4-(1,2,3,4-tetrahydro-quinazolin-2-yl)-phenol","","- C14 H14 N2 O -","- C14 H13.6 N2 O -","- C112 H108.8 N16 O8 -","8","1","","Correa, Waldo H.; Papadopoulos, Stavroula; Radnidge, Peta; Roberts, Brett A.; Scott, Janet L.","Direct, efficient, solvent-free synthesis of 2-aryl-1,2,3,4-tetrahydroquinazolines","Green Chemistry","2002","4","3","245","","10.1039/b202729c","","","0.71073","MoKα","","0.0754","0.0479","","","0.1116","0.1231","","","","","","1.045","","","","has coordinates,has disorder","180375","2020-10-21","18:00:00",""
"7204411","24.8822","0.0008","4.6291","0.0002","16.5755","0.0005","90","","106.263","0.002","90","","1832.81","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-2-[5'-bromosalicylideneimino)benzyl]-5''-bromosalicylideneimine","N-2-[5'-bromosalicylideneimino)benzyl]-5''-bromosalicylideneimine","","- C21 H16 Br2 N2 O2 -","- C21 H16 Br2 N2 O2 -","- C84 H64 Br8 N8 O8 -","4","1","","Correa, Waldo H.; Papadopoulos, Stavroula; Radnidge, Peta; Roberts, Brett A.; Scott, Janet L.","Direct, efficient, solvent-free synthesis of 2-aryl-1,2,3,4-tetrahydroquinazolines","Green Chemistry","2002","4","3","245","","10.1039/b202729c","","","0.71073","MoKα","","0.1609","0.0498","","","0.0758","0.0959","","","","","","0.901","","","","has coordinates","301863","2025-08-22","13:06:30",""
"7204412","20.4722","0.0003","13.2281","0.0002","20.7521","0.0004","90","","90","","90","","5619.84","0.16","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-(veratryl)-1,2,3,4-tetrahydroquinazoline","2-(3',4'-dimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C256 H288 N32 O32 -","16","4","","Correa, Waldo H.; Papadopoulos, Stavroula; Radnidge, Peta; Roberts, Brett A.; Scott, Janet L.","Direct, efficient, solvent-free synthesis of 2-aryl-1,2,3,4-tetrahydroquinazolines","Green Chemistry","2002","4","3","245","","10.1039/b202729c","","","0.71073","MoKα","","0.1532","0.0639","","","0.0959","0.1197","","","","","","1.014","","","","has coordinates","301863","2025-08-22","13:06:30",""
"7204413","9.72","0.0002","14.037","0.0002","12.2058","0.0001","90","","97.056","0.002","90","","1652.74","0.04","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-2[(salicylideneimino)benzyl]-salicylideneimine","N-2[(salicylideneimino)benzyl]-salicylideneimine","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Correa, Waldo H.; Papadopoulos, Stavroula; Radnidge, Peta; Roberts, Brett A.; Scott, Janet L.","Direct, efficient, solvent-free synthesis of 2-aryl-1,2,3,4-tetrahydroquinazolines","Green Chemistry","2002","4","3","245","","10.1039/b202729c","","","0.71073","MoKα","","0.0915","0.047","","","0.1074","0.1256","","","","","","0.987","","","","has coordinates","301863","2025-08-22","13:06:30",""
"7204893","9.773","0.002","17.05","0.003","27.745","0.006","78.31","0.03","89.92","0.03","77.1","0.03","4408.3","1.7","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H157 N5 O13 -","- C92.04 H157.09 N5.01 O13.01 -","- C184.08 H314.18 N10.02 O26.02 -","2","1","","Kuzmicz, Rafal; Dobrzycki, Lukasz; Wozniak, Krzysztof; Benevelli, Francesca; Klinowski, Jacek; Kolodziejski, Waclaw","X-ray diffraction and 13C solid-state NMR studies of the solvate of tetra(C-undecyl)calix[4]resorcinarene with dimethylacetamide","Physical Chemistry Chemical Physics","2002","4","11","2387","2391","10.1039/b107416b","","","0.71073","MoKα","","0.1687","0.1171","","","0.2888","0.3412","","","","","","1.051","","","","has coordinates,has disorder","274640","2022-04-22","16:18:17",""
"7204907","9.55","0.001","17.179","0.002","9.784","0.001","90","","112.75","0.01","90","","1480.3","0.3","160","2","160","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 F6 Li N O6 S2 -","- C6 H10 F6 Li N O6 S2 -","- C24 H40 F24 Li4 N4 O24 S8 -","4","1","","Brouillette, Dany; Irish, Donald E.; Taylor, Nicholas J.; Perron, Gérald; Odziemkowski, Marek; Desnoyers, Jacques E.","Stable solvates in solution of lithium bis(trifluoromethylsulfone)imide in glymes and other aprotic solvents: Phase diagrams, crystallography and Raman spectroscopy","Physical Chemistry Chemical Physics","2002","4","24","6063","6071","10.1039/b203776a","","","0.71073","MoKα","","0.0413","0.0351","","","0.0894","0.0901","","","","","","2.207","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7205024","10.9411","0.0007","13.449","0.001","7.714","0.001","90","","90","","90","","1135.09","0.18","173","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag5 I2 S3 Sb -","- Ag20 I8 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.0241","0.0214","","0.0565","0.0559","","","","2.31","2.25","2.25","","","","","has coordinates","287942","2023-12-01","17:36:50",""
"7205025","10.9674","0.0008","13.52","0.001","7.7392","0.0005","90","","90","","90","","1147.56","0.14","298","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag11.999 I2 S3 Sb -","- Ag47.996 I8 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.0337","0.0199","","0.0434","0.0409","","","","1.22","1.09","1.09","","","","","has coordinates","287942","2023-12-01","17:36:50",""
"7205026","11.0033","0.0008","13.569","0.001","7.746","0.0005","90","","90","","90","","1156.51","0.14","373","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag13.994 I2 S3 Sb -","- Ag55.976 I8 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.0435","0.0236","","0.0536","0.0503","","","","1.49","1.25","1.25","","","","","has coordinates","287942","2023-12-01","17:36:50",""
"7205027","11.0243","0.0008","13.598","0.001","7.7442","0.0005","90","","90","","90","","1160.92","0.14","423","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag14.022 I2 S3 Sb -","- Ag56.088 I8 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.056","0.0294","","0.0582","0.0542","","","","1.27","1.05","1.05","","","","","has coordinates","287942","2023-12-01","17:36:50",""
"7205028","11.0359","0.0008","13.612","0.001","7.7424","0.0005","90","","90","","90","","1163.07","0.14","473","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag14.006 I2 S3 Sb -","- Ag56.024 I8 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.0612","0.0305","","0.0635","0.0581","","","","1.32","1.09","1.09","","","","","has coordinates","287942","2023-12-01","17:36:50",""
"7205029","11.0602","0.0009","13.656","0.001","7.7527","0.0005","90","","90","","90","","1170.95","0.15","523","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag13.994 I2 S3 Sb -","- Ag55.976 I8 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.0676","0.0329","","0.0678","0.0633","","","","1.56","1.23","1.23","","","","","has coordinates","287942","2023-12-01","17:36:50",""
"7205030","11.071","0.001","13.699","0.001","7.7633","0.0006","90","","90","","90","","1177.39","0.16","573","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Ag5 I2 S3 Sb -","- Ag13.988 I3 S3 Sb -","- Ag55.952 I12 S12 Sb4 -","4","0.5","","Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno","Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3","Physical Chemistry Chemical Physics","2002","4","23","5888","5894","10.1039/b203556a","","x-ray","0.71073","MoKα","","0.0686","0.033","","0.0706","0.0648","","","","1.52","1.21","1.21","","","","","has coordinates","287941","2023-12-01","17:26:20",""
"7205034","6.2418","0.0016","9.747","0.002","15.951","0.004","90","","90","","90","","970.4","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1,3-dimethylimidazolium methylsulphate","","","- C6 H12 N2 O4 S -","- C6 H12 N2 O4 S -","- C24 H48 N8 O16 S4 -","4","1","","Holbrey, John D.; Reichert, W. Matthew; Swatloski, Richard P.; Broker, Grant A.; Pitner, William R.; Seddon, Kenneth R.; Rogers, Robin D.","Efficient, halide free synthesis of new, low cost ionic liquids: 1,3-dialkylimidazolium salts containing methyl- and ethyl-sulfate anions","Green Chemistry","2002","4","5","407","","10.1039/b204469b","","","0.71073","MoKα","","0.0347","0.0285","","","0.058","0.0605","","","","","","0.947","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7216557","6.9524","0.0008","13.6858","0.0009","16.334","0.002","90","","100.148","0.005","90","","1529.9","0.3","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 O3 -","- C17 H27 O3 -","- C68 H108 O12 -","4","1","","Yue, Weimin; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids formed by helical tubuland diols","CrystEngComm","2002","4","98","591","","10.1039/b210594b","","","1.54184","CuKα","","","0.055","","","","0.1","","","","","","1.92","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216558","10.87","0.004","16.939","0.003","10.934","0.004","90","","93.99","0.02","90","","2008.4","1.1","294","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H32 O4 -","- C21 H34 O4 -","- C84 H136 O16 -","4","0.5","","Yue, Weimin; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids formed by helical tubuland diols","CrystEngComm","2002","4","98","591","","10.1039/b210594b","","","1.54184","CuKα","","","0.047","","","","0.065","","","","","","1.86","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216559","7.1","0.001","13.567","0.001","16.783","0.003","90","","106.83","0.007","90","","1547.4","0.4","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 O3 -","- C16 H30 O3 -","- C64 H120 O12 -","4","1","","Yue, Weimin; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids formed by helical tubuland diols","CrystEngComm","2002","4","98","591","","10.1039/b210594b","","","1.54184","CuKα","","","0.055","","","","0.101","","","","","","1.67","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216560","12.866","0.004","13.845","0.004","12.361","0.004","90","","114.8","0.01","90","","1998.8","1.1","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 Br2 Cl2 N2 -","- C22 H12 Br2 Cl2 N2 -","- C88 H48 Br8 Cl8 N8 -","4","1","","Alshahateet, Solhe F.; Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Interlocking molecular grid lattices involving weak assembly forces","CrystEngComm","2002","4","97","585","","10.1039/b209897k","","","0.71073","MoKα","","","0.039","","","","0.047","","","","","","1.47","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216561","13.308","0.008","10.505","0.007","11.296","0.007","90","","100.54","0.02","90","","1552.5","1.7","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Alshahateet, Solhe F.; Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Interlocking molecular grid lattices involving weak assembly forces","CrystEngComm","2002","4","97","585","","10.1039/b209897k","","","0.71073","MoKα","","","0.049","","","","0.059","","","","","","1.7","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216562","8.1111","0.0005","14.1487","0.0009","11.7504","0.0008","90","","106.91","0.001","90","","1290.19","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Complex between 1,2-bis(3-pyridyl)butadiyne and bis(hexafluoroacetylacetonate)Zn","","","- C24 H10 F12 N2 O4 Zn -","- C24 H10 F12 N2 O4 Zn -","- C48 H20 F24 N4 O8 Zn2 -","2","0.5","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","One-dimensional coordination polymers generated from 1,2-bis(x-pyridyl)butadiyne (x�= 3 and 4) and bis(hexafluoroacetylacetonato)M(ii) (M = Cu, Mn, Zn)","CrystEngComm","2002","4","103","613","","10.1039/b209938a","","","0.7107","MoKα","","0.0484","0.0319","","","0.0768","0.0831","","","","","","1.005","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216563","8.1706","0.0005","14.3761","0.0008","11.5533","0.0007","90","","105.813","0.001","90","","1305.71","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Complex between 1,2-bis(3-pyridyl)butadiyne and bis(hexafluoroacetylacetonate)Mn","","","- C24 H10 F12 Mn N2 O4 -","- C24 H10 F12 Mn N2 O4 -","- C48 H20 F24 Mn2 N4 O8 -","2","0.5","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","One-dimensional coordination polymers generated from 1,2-bis(x-pyridyl)butadiyne (x�= 3 and 4) and bis(hexafluoroacetylacetonato)M(ii) (M = Cu, Mn, Zn)","CrystEngComm","2002","4","103","613","","10.1039/b209938a","","","0.7107","MoKα","","0.0456","0.0338","","","0.0884","0.0945","","","","","","1.003","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216564","8.0304","0.0004","13.8823","0.0007","12.0812","0.0006","90","","106.194","0.001","90","","1293.38","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Complex between 1,2-bis(3-pyridyl)butadiyne and bis(hexafluoroacetylacetonate)Cu","","","- C24 H10 Cu F12 N2 O4 -","- C24 H10 Cu F12 N2 O4 -","- C48 H20 Cu2 F24 N4 O8 -","2","0.5","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","One-dimensional coordination polymers generated from 1,2-bis(x-pyridyl)butadiyne (x�= 3 and 4) and bis(hexafluoroacetylacetonato)M(ii) (M = Cu, Mn, Zn)","CrystEngComm","2002","4","103","613","","10.1039/b209938a","","","0.7107","MoKα","","0.0424","0.0358","","","0.1014","0.106","","","","","","1.041","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216565","6.6626","0.0009","9.3393","0.0012","10.5602","0.0013","98.648","0.002","101.102","0.003","92.668","0.002","635.54","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Complex between 1,2-bis(4-pyridyl)butadiyne and bis(hexafluoroacetylacetonate)Mn","","","- C12 H5 F6 Mn N O2 -","- C12 H5 F6 Mn0.5 N O2 -","- C24 H10 F12 Mn N2 O4 -","2","1","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","One-dimensional coordination polymers generated from 1,2-bis(x-pyridyl)butadiyne (x�= 3 and 4) and bis(hexafluoroacetylacetonato)M(ii) (M = Cu, Mn, Zn)","CrystEngComm","2002","4","103","613","","10.1039/b209938a","","","0.7107","MoKα","","0.1571","0.0641","","","0.1221","0.1489","","","","","","0.929","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216566","13.164","0.003","13.998","0.004","20.75","0.006","79.08","0.02","79.91","0.02","80.14","0.02","3658.4","1.7","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C80 H52 Br12 N6 -","- C80 H46 Br12 N6 -","- C160 H92 Br24 N12 -","2","1","","Bishop, Roger; Rahman, A. Noman M. M.; Ashmore, Jason; Craig, Donald C.; Scudder, Marcia L.","Preparation of solvent-free clathrand structures by the exclusion of an unwelcome guest","CrystEngComm","2002","4","101","605","","10.1039/b210215c","","","0.71073","MoKα","","","0.052","","","","0.057","","","","","","1.64","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216567","27.579","0.007","32.87","0.008","4.447","0.001","90","","90","","90","","4031.3","1.7","294","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C22 H12 Br4 N2 -","- C22 H12 Br4 N2 -","- C176 H96 Br32 N16 -","8","0.5","","Bishop, Roger; Rahman, A. Noman M. M.; Ashmore, Jason; Craig, Donald C.; Scudder, Marcia L.","Preparation of solvent-free clathrand structures by the exclusion of an unwelcome guest","CrystEngComm","2002","4","101","605","","10.1039/b210215c","","","0.71073","MoKα","","","0.039","","","","0.048","","","","","","1.69","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216568","6.571","0.002","21.718","0.006","12.65","0.004","90","","90","","90","","1805.3","0.9","150","2","150","2","","","","","","","","6","C m c m","-C 2c 2","63","[CuL2m]4[CuCl4]Cl6.5H2O","","","- C32 H82 Cl10 Cu5 N32 O13 -","- C32 H56 Cl10 Cu5 N32 O13 -","- C32 H56 Cl10 Cu5 N32 O13 -","1","0.0625","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0686","0.0548","","0.164","","0.155","","","1.085","","","1.163","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216569","6.624","0.001","12.677","0.002","13.059","0.002","94.082","0.002","99.368","0.003","91.58","0.003","1078.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[CuL2e]Cl2.3H2O.MeOH","","","- C11 H32 Cl2 Cu N8 O6 -","- C11 H32 Cl2 Cu N8 O6 -","- C22 H64 Cl4 Cu2 N16 O12 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0629","0.0395","","0.0945","","0.0878","","","0.945","","","1.045","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216570","12.656","0.002","13.541","0.002","21.543","0.003","90","","90.071","0.002","90","","3691.9","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[CuL3m](Cl)2(MeOH)0.5(H2O)","","","- C10 H25 Cl2 Cu N8 O3.5 -","- C10 H20 Cl2 Cu N8 O3.5 -","- C80 H160 Cl16 Cu8 N64 O28 -","8","2","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0751","0.0542","","0.1566","","0.1461","","","1.054","","","1.125","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216571","21.904","0.006","12.9712","0.0004","6.7694","0.0002","90","","90","","90","","1923.3","0.5","120","2","120","2","","","","","","","","6","P n n a","-P 2a 2bc","52","1,3-Bis(amidino-O-methylurea)propanecopper(II) bromide methanol solvate hydrate (1:1:0.3)","1,3-Bis(amidino-O-methylurea)propanecopper(II) bromide methanol solvate hydrate (1:1:0.3)","","- C10 H24.6 Br2 Cu N8 O3.3 -","- C10 H20 Br2 Cu N8 O3.3 -","- C40 H80 Br8 Cu4 N32 O13.2 -","4","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0811","0.0503","","","0.1291","0.1435","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216572","8.506","0.003","10.264","0.002","10.715","0.002","111.71","0.02","93.51","0.02","103.06","0.02","835.7","0.4","220","1","220","1","","","","","","","","6","P -1","-P 1","2","[CuL2m]Cl2.2H2O","","","- C8 H22 Cl2 Cu N8 O4 -","- C8 H22 Cl2 Cu N8 O4 -","- C16 H44 Cl4 Cu2 N16 O8 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0777","0.0521","","0.1114","","0.0936","","","1.189","","","1.181","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216573","19.013","0.002","19.013","0.002","14.026","0.004","90","","90","","90","","5070.3","1.6","223","","223","","","","","","","","see paper","6","I -4 2 d","I -4 2bw","122","Compound 5","tris(rac-trans-1,2-diaminocyclohexane)chromium(III) trichloride dihydrate","","- C18 H46 Cl3 Cr N6 O2 -","- C18 H46 Cl3 Cr N6 O2 -","- C144 H368 Cl24 Cr8 N48 O16 -","8","0.5","","Kalf, Irmgard; Calmuschi, Beatrice; Englert, Ulli","Chiral Cr(iii) and Co(iii) complex cations as building blocks for ordered and disordered salts","CrystEngComm","2002","4","91","548","","10.1039/b207786h","","","0.71073","Mo-Kα","","0.0357","0.0333","","","0.084","0.0848","","","","","","1.048","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216574","18.924","0.004","19.117","0.003","13.892","0.004","90","","90","","90","","5026","2","213","","213","","","","","","","","see paper","7","I 21 21 21","I 2b 2c","24","Compound 7","Delta-tris(R,R-trans-1,2-diaminocyclohexane)chromiumtrichloride Lambda-tris(S,S-trans-1,2-diaminocyclohexane)cobalt(III)trichloride tetrahydrate","","- C36 H92 Cl6 Co Cr N12 O4 -","- C36 H92 Cl6 Co Cr N12 O4 -","- C144 H368 Cl24 Co4 Cr4 N48 O16 -","4","0.5","","Kalf, Irmgard; Calmuschi, Beatrice; Englert, Ulli","Chiral Cr(iii) and Co(iii) complex cations as building blocks for ordered and disordered salts","CrystEngComm","2002","4","91","548","","10.1039/b207786h","","","0.71073","Mo-Kα","","0.0477","0.0395","","","0.0962","0.0987","","","","","","1.05","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216575","10.4005","0.0004","11.8621","0.0005","17.3981","0.0007","97.621","0.001","90.256","0.001","111.417","0.001","1977.31","0.14","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H88 As2 N4 O36 V10 -","- C64 H88 As2 N4 O36 V10 -","- C64 H88 As2 N4 O36 V10 -","1","0.5","","Sharma, Sanjeev; Ramanan, Arunachalam; Zavalij, Peter Y.; Whittingham, M. Stanley","The first example of a novel one-dimensional cyclic tetrameric metavanadate: [PPh4]2V4O11","CrystEngComm","2002","4","100","601","","10.1039/b209979a","","","0.71073","MoKα","","0.0412","0.0338","","","0.0862","0.0901","","","","","","1.041","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216576","7.7127","0.0004","24.2056","0.0012","36.5848","0.0018","90","","94.75","0.001","90","","6806.6","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetraphenylphosponium vanadium oxide","","- C48 H40 O11 P2 V4 -","- C48 H40 O11 P2 V4 -","- C288 H240 O66 P12 V24 -","6","1.5","","Sharma, Sanjeev; Ramanan, Arunachalam; Zavalij, Peter Y.; Whittingham, M. Stanley","The first example of a novel one-dimensional cyclic tetrameric metavanadate: [PPh4]2V4O11","CrystEngComm","2002","4","100","601","","10.1039/b209979a","","","0.71073","MoKα","","0.0928","0.0547","","","0.106","0.1216","","","","","","1.002","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216577","25.2074","0.0016","9.8028","0.0006","17.4609","0.0011","90","","94.077","0.001","90","","4303.7","0.5","90","1","90","1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","diPhAnthracene-C60","Diphenyl anthracene fullerene-C60 complex","","- C86 H18 -","- C86 H18 -","- C344 H72 -","4","0.5","","Litvinov, A. L.; Konarev, D. V.; Kovalevsky, A. Yu.; Neretin, I. S.; Slovokhotov, Yu. L.; Coppens, P.; Lyubovskaya, R. N.","Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents","CrystEngComm","2002","4","104","618","","10.1039/b209875j","","","0.71073","MoKα","","0.0572","0.0388","","","0.0888","0.097","","","","","","1.032","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216578","13.255","0.003","18.55","0.005","18.597","0.005","90","","108.882","0.006","90","","4326.6","1.9","110","1","110","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","C60 TPB clathrate","[60]fullerene triphenylbenzene clathrate","","- C84 H18 -","- C84 H18 -","- C336 H72 -","4","1","","Litvinov, A. L.; Konarev, D. V.; Kovalevsky, A. Yu.; Neretin, I. S.; Slovokhotov, Yu. L.; Coppens, P.; Lyubovskaya, R. N.","Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents","CrystEngComm","2002","4","104","618","","10.1039/b209875j","","","0.71073","MoKα","","0.185","0.0812","","0.2195","0.174","","","","0.932","1.204","1.204","","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216579","10.089","0.006","12.709","0.005","13.642","0.005","91.17","0.04","91.06","0.05","111.42","0.03","1627.4","1.3","110","1","110","1","","","","","","","","3","P -1","-P 1","2","","[60]fullerene 1,3,5-triphenylbenzene chlorobenzene clathrate","","- C114 H41 Cl -","- C114 H41 Cl -","- C114 H41 Cl -","1","0.5","","Litvinov, A. L.; Konarev, D. V.; Kovalevsky, A. Yu.; Neretin, I. S.; Slovokhotov, Yu. L.; Coppens, P.; Lyubovskaya, R. N.","Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents","CrystEngComm","2002","4","104","618","","10.1039/b209875j","","","0.71073","MoKα","","0.1158","0.0904","","","0.2414","0.2719","","","","","","1.044","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216580","10.4757","0.0007","32.92","0.002","10.3173","0.0007","90","","118.224","0.002","90","","3135","0.4","90","1","90","1","","","","","","","","2","C 1 2/m 1","-C 2y","12","TetraPhEthylene-C60","Tetraphenylehtylene fullerene-C60 complex","","- C28 H10 -","- C28 H10 -","- C224 H80 -","8","1","","Litvinov, A. L.; Konarev, D. V.; Kovalevsky, A. Yu.; Neretin, I. S.; Slovokhotov, Yu. L.; Coppens, P.; Lyubovskaya, R. N.","Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents","CrystEngComm","2002","4","104","618","","10.1039/b209875j","","","0.71073","MoKα","","0.0876","0.0563","","","0.1327","0.1473","","","","","","0.962","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216581","4.0446","0.0002","15.7964","0.0009","11.6721","0.0006","90","","91.563","0.003","90","","745.45","0.07","233","2","233","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cu N4 Na O2 Se4 -","- C8 H8 Cu N4 Na O2 Se4 -","- C16 H16 Cu2 N8 Na2 O4 Se8 -","2","0.5","","Ribas, Xavi; Dias, Jo�o; Morgado, Jorge; Wurst, Klaus; Almeida, Manuel; Veciana, Jaume; Rovira, Concepci�","Novel Cu(iii) bis-1,2-diselenolene complex with a highly extended 3D framework through Na+ coordination","CrystEngComm","2002","4","93","564","","10.1039/b209330h","","","0.71073","MoKα","","0.0343","0.029","","","0.0644","0.0663","","","","","","1.067","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216582","6.057","0.002","6.941","0.001","9.381","0.001","90","","94.5","0.02","90","","393.18","0.15","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N6 Ni S2 -","- C2 H8 N6 Ni S2 -","- C4 H16 N12 Ni2 S4 -","2","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.71069","MoKα","","0.0385","0.0348","","","0.084","0.0861","","","","","","1.122","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216583","9.956","0.002","4.6144","0.001","10.907","0.002","90","","110.034","0.005","90","","470.76","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 N6 Ni S2 -","- C4 H12 N6 Ni S2 -","- C8 H24 N12 Ni2 S4 -","2","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.6898","Synchrotron","","0.0388","0.0286","","","0.0593","0.0617","","","","","","1.041","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216584","5.706","0.0003","7.19","0.0006","7.746","0.0007","71.278","0.003","88.176","0.005","82.442","0.005","298.34","0.04","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H16 N6 Ni S2 -","- C6 H16 N6 Ni S2 -","- C6 H16 N6 Ni S2 -","1","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.71073","MoKα","","0.0353","0.03","","","0.075","0.0778","","","","","","1.046","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216585","5.6675","0.0004","7.6228","0.0007","8.0307","0.0007","91.356","0.005","94.19","0.005","96.79","0.005","343.41","0.05","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H20 N6 Ni S2 -","- C8 H20 N6 Ni S2 -","- C8 H20 N6 Ni S2 -","1","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.71069","MoKα","","0.0523","0.0352","","","0.0743","0.0807","","","","","","0.97","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216586","26.901","0.006","26.901","0.006","5.7535","0.0012","90","","90","","120","","3605.8","1.4","150","2","133","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C10 H24 N6 Ni S2 -","- C10 H24 N6 Ni S2 -","- C90 H216 N54 Ni9 S18 -","9","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.71073","MoKα","","0.0501","0.046","","","0.1015","0.1033","","","","","","1.211","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216587","13.8567","0.0008","8.1216","0.0005","17.0761","0.001","90","","102.229","0.001","90","","1878.11","0.19","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cu N3 O5 -","- C22 H17 Cu N3 O5 -","- C88 H68 Cu4 N12 O20 -","4","1","","Lu, Jack Y.; Schauss, Vaughn","Two Cu(ii) complexes synthesized by using a solid-state compound with an extended crystal structure as the copper-ion source","CrystEngComm","2002","4","105","623","","10.1039/b210309e","","","0.71073","MoKα","","0.0345","0.0244","","","0.0649","0.07","","","","","","1.04","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216588","7.5427","0.0003","12.6346","0.0006","13.8675","0.0006","79.491","0.001","83.787","0.001","81.277","0.001","1279.94","0.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H42 Cu3 N14 O8 -","- C54 H42 Cu3 N14 O8 -","- C54 H42 Cu3 N14 O8 -","1","0.5","","Lu, Jack Y.; Schauss, Vaughn","Two Cu(ii) complexes synthesized by using a solid-state compound with an extended crystal structure as the copper-ion source","CrystEngComm","2002","4","105","623","","10.1039/b210309e","","","0.71073","MoKα","","0.035","0.0264","","","0.0682","0.073","","","","","","0.995","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216589","9.4585","0.0002","10.2286","0.0002","15.4751","0.0004","71.744","0.001","87.438","0.001","66.696","0.001","1300.42","0.05","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","3-{2-[2-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenylazo]-phenyl}-1,1- diphenyl-prop-2-yn-1-ol N,N,N',N'-tetramethyethylenediamine toluene solvate","","- C62 H62 N4 O2 -","- C62 H62 N4 O2 -","- C62 H62 N4 O2 -","1","0.5","","Scott, Janet L.; Downie, Andrew P.; Asami, Masaya; Tanaka, Koichi","Chromogenic guest-responsive host compounds which allow rapid guest screening","CrystEngComm","2002","4","96","580","","10.1039/b206162g","","","0.71073","MoKα","","0.174","0.0793","","","0.2403","0.2911","","","","","","0.951","","","","has coordinates,has disorder","288216","2023-12-11","20:37:33",""
"7216590","9.1559","0.0002","10.5862","0.0003","11.6018","0.0004","89.27","0.001","84.726","0.002","65.225","0.002","1016.28","0.05","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","3-{3-[3-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenylazo]-phenyl} -1,1-diphenyl-prop-2-yn-1-ol pyridine solvate","","- C52 H40 N4 O2 -","- C52 H40 N4 O2 -","- C52 H40 N4 O2 -","1","0.5","","Scott, Janet L.; Downie, Andrew P.; Asami, Masaya; Tanaka, Koichi","Chromogenic guest-responsive host compounds which allow rapid guest screening","CrystEngComm","2002","4","96","580","","10.1039/b206162g","","","0.71073","MoKα","","0.1417","0.0489","","","0.0941","0.1176","","","","","","0.888","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216591","9.0344","0.0002","6.3416","0.0002","40.15","","90","","94.456","0.003","90","","2293.34","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-{4-[4-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenylazo]-phenyl}- 1,1-diphenyl-prop-2-yn-1-ol N,N,N',N'-tetramethylmethylenediamine solvate","","- C52 H58 N6 O2 -","- C52 H58 N6 O2 -","- C104 H116 N12 O4 -","2","0.5","","Scott, Janet L.; Downie, Andrew P.; Asami, Masaya; Tanaka, Koichi","Chromogenic guest-responsive host compounds which allow rapid guest screening","CrystEngComm","2002","4","96","580","","10.1039/b206162g","","","0.71073","MoKα","","0.1553","0.0539","","","0.1001","0.1287","","","","","","0.897","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216592","6.3341","0.0002","10.972","0.0003","16.0192","0.0005","104.947","0.001","94.277","0.001","93.557","0.002","1068.81","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","3-{3-[3-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenylazo]-phenyl}-1, 1-diphenyl-prop-2-yn-1-ol N,N,N',N'-tetramethylethylenediamine dichloromethane solvate","","- C49 H48 Cl2 N4 O2 -","- C49 H48 Cl2 N4 O2 -","- C49 H48 Cl2 N4 O2 -","1","0.5","","Scott, Janet L.; Downie, Andrew P.; Asami, Masaya; Tanaka, Koichi","Chromogenic guest-responsive host compounds which allow rapid guest screening","CrystEngComm","2002","4","96","580","","10.1039/b206162g","","","0.71073","MoKα","","0.1114","0.0699","","","0.187","0.21","","","","","","1.071","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216593","13.842","0.003","21.609","0.004","7.486","0.002","90","","93.653","0.004","90","","2234.6","0.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[CuL3e]{BF2(OMe)2}(BF4)","1,2-Bis(amidino-O-ethylurea)ethanecopper(II) difluorodimethoxyborate tetrafluoroborate","","- C12 H28 B2 Cu F6 N8 O4 -","- C12 H28 B2 Cu F6 N8 O4 -","- C48 H112 B8 Cu4 F24 N32 O16 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Generation and structural characterisation of a difluorodimethoxyborate-mediated hydrogen-bonded supramolecular synthon","CrystEngComm","2002","4","108","638","","10.1039/b210393c","","","0.71073","MoKα","","0.0707","0.0452","","","0.121","0.1301","","","","","","1.001","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216594","14.907","0.003","11.442","0.002","10.488","0.002","90","","94.78","0.03","90","","1782.7","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[CuL2m](BF4)2","1,2-Bis(amidino-O-methylurea)ethanecopper(II) tetrafluoroborate","","- C8 H18 B2 Cu F8 N8 O2 -","- C8 H18 B2 Cu F8 N8 O2 -","- C32 H72 B8 Cu4 F32 N32 O8 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Generation and structural characterisation of a difluorodimethoxyborate-mediated hydrogen-bonded supramolecular synthon","CrystEngComm","2002","4","108","638","","10.1039/b210393c","","","0.71073","MoKα","","0.0575","0.0477","","","0.1331","0.1398","","","","","","1.07","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216595","5.316","0.001","7.505","0.002","10.365","0.002","107.07","0.02","98.9","0.02","95.48","0.02","386.18","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Cu0.5 Mn0.5 O8 -","- C3 H10 Cu0.5 Mn0.5 O8 -","- C6 H20 Cu Mn O16 -","2","1","","Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel","Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)","CrystEngComm","2002","4","107","631","","10.1039/b206728e","","","0.71073","MoKα","","0.0532","0.0491","","","0.1341","0.1387","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216596","5.266","0.001","7.495","0.001","10.332","0.002","107.14","0.001","98.99","0.002","96.17","0.001","379.77","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Co0.5 Cu0.5 O8 -","- C3 H10 Co0.5 Cu0.5 O8 -","- C6 H20 Co Cu O16 -","2","1","","Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel","Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)","CrystEngComm","2002","4","107","631","","10.1039/b206728e","","","0.71073","MoKα","","0.0314","0.0288","","","0.0855","0.09","","","","","","0.732","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216597","5.242","0.001","7.48","0.003","10.278","0.004","107.15","0.03","98.77","0.03","96.34","0.03","375.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Cu0.5 Ni0.5 O8 -","- C3 H10 Cu0.5 Ni0.5 O8 -","- C6 H20 Cu Ni O16 -","2","1","","Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel","Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)","CrystEngComm","2002","4","107","631","","10.1039/b206728e","","","0.71073","MoKα","","0.0476","0.0273","","","0.077","0.096","","","","","","0.705","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216598","5.241","0.001","7.584","0.0015","10.219","0.002","106.53","0.03","99.52","0.03","93.85","0.03","381.22","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H10 Cu O8 -","- C3 H10 Cu O8 -","- C6 H20 Cu2 O16 -","2","1","","Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel","Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)","CrystEngComm","2002","4","107","631","","10.1039/b206728e","","","0.71073","MoKα","","0.0526","0.0498","","","0.1257","0.1285","","","","","","1.046","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216599","5.274","0.002","7.5042","0.001","10.314","0.002","106.919","0.01","99.15","0.02","95.81","0.02","380.83","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Cu0.5 O8 Zn0.5 -","- C3 H10 Cu0.5 O8 Zn0.5 -","- C6 H20 Cu O16 Zn -","2","1","","Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel","Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)","CrystEngComm","2002","4","107","631","","10.1039/b206728e","","","0.71073","MoKα","","0.047","0.0439","","","0.116","0.119","","","","","","0.975","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216600","9.6113","0.0006","15.4223","0.0011","15.8657","0.0011","101.068","0.001","102.869","0.001","105.546","0.001","2128","0.3","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 O2 S4 Zn -","- C8 H14 O2 S4 Zn -","- C48 H84 O12 S24 Zn6 -","6","3","","Lai, Chian Sing; Lim, Yu Xian; Yap, Timothy C.; Tiekink, Edward R. T.","Molecular paving with zinc thiolates","CrystEngComm","2002","4","99","596","","10.1039/b210187d","","","0.71069","MoKalpha","","0.079","0.051","","","0.114","0.137","","","","","","1.02","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216601","17.2158","0.0007","19.9156","0.0009","14.3422","0.0006","90","","103.988","0.002","90","","4771.6","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 B2 Cu F8 N4 S4 -","- C48 H44 B2 Cu F8 N4 S4 -","- C192 H176 B8 Cu4 F32 N16 S16 -","4","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Structural diversity within the products of the reaction of Ph2SNH with copper(ii) tetrafluoroborate","CrystEngComm","2002","4","90","545","547","10.1039/b209185m","","","0.71073","MoKα","","0.0374","0.0293","","","0.0721","0.0783","","","","","","1.044","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216602","9.5206","0.0007","10.6097","0.0007","13.0115","0.0009","102.414","0.002","100.311","0.002","107.168","0.002","1184.26","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 B2 Cu F8 N4 S4 -","- C48 H44 B2 Cu F8 N4 S4 -","- C48 H44 B2 Cu F8 N4 S4 -","1","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Structural diversity within the products of the reaction of Ph2SNH with copper(ii) tetrafluoroborate","CrystEngComm","2002","4","90","545","547","10.1039/b209185m","","","0.71073","MoKα","","0.0399","0.0332","","","0.0811","0.0858","","","","","","1.057","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216603","14.6815","0.0005","10.149","0.0003","35.2706","0.0011","90","","99.88","0.002","90","","5177.5","0.3","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C50 H47 B2 Cu F8 N5 S4 -","- C50 H47 B2 Cu F8 N5 S4 -","- C200 H188 B8 Cu4 F32 N20 S16 -","4","1","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Structural diversity within the products of the reaction of Ph2SNH with copper(ii) tetrafluoroborate","CrystEngComm","2002","4","90","545","547","10.1039/b209185m","","","0.71073","MoKα","","0.0592","0.0432","","","0.1094","0.1197","","","","","","1.044","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216604","10.5191","0.0004","17.3144","0.0006","29.5797","0.001","90","","91.455","0.002","90","","5385.7","0.3","150","2","150","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C108 H99 B4 Cu2 F16 N9 S9 -","- C108 H99 B4 Cu2 F16 N9 S9 -","- C216 H198 B8 Cu4 F32 N18 S18 -","2","1","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Structural diversity within the products of the reaction of Ph2SNH with copper(ii) tetrafluoroborate","CrystEngComm","2002","4","90","545","547","10.1039/b209185m","","","0.71073","MoKα","","0.0656","0.052","","","0.1285","0.1416","","","","","","1.014","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216605","7.118","0.003","7.303","0.003","12.172","0.004","84.61","0.03","79.88","0.03","64.5","0.03","562.1","0.4","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","2-cyanoguanidine 2-(N-cyano)imino-4,6-dimethylpyrimidine adduct (1:1)","","- C9 H12 N8 -","- C9 H12 N8 -","- C18 H24 N16 -","2","1","","Quinlan, Daniel J.; Blake, Alexander J.; Hubberstey, Peter","Hydrogen-bonded two-dimensional sheet construction in the 1?1 adduct between 2-cyanoguanidine and 2-(N-cyano)imino-4,6-dimethylpyrimidine","CrystEngComm","2002","4","94","568","","10.1039/b208058n","","","0.71073","MoKα","","0.0916","0.06","","","0.1185","0.145","","","","","","1.234","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216606","15.1936","0.0002","7.2404","0.0001","17.3198","0.0001","90","","96.105","0.001","90","","1894.51","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O6 -","- C22 H18 O6 -","- C88 H72 O24 -","4","1","","Liu, Rong; Valiyaveettil, Suresh; Mok, Kum-Fun; Vittal, Jagadese J.; Hoong, Angelia Kar Min","Solid-state self-assembly of 1,4-bis(2-carboxybenzyloxy)benzene in the presence and absence of aromatic amines","CrystEngComm","2002","4","95","574","","10.1039/b206055h","","","0.71073","MoKα","","0.0625","0.0443","","","0.1193","0.1296","","","","","","1.059","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216607","6.1009","0.0007","8.0739","0.0009","13.4904","0.0015","83.523","0.002","80.384","0.001","87.233","0.002","650.7","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N2 O6 -","- C32 H26 N2 O6 -","- C32 H26 N2 O6 -","1","0.5","","Liu, Rong; Valiyaveettil, Suresh; Mok, Kum-Fun; Vittal, Jagadese J.; Hoong, Angelia Kar Min","Solid-state self-assembly of 1,4-bis(2-carboxybenzyloxy)benzene in the presence and absence of aromatic amines","CrystEngComm","2002","4","95","574","","10.1039/b206055h","","","0.71073","MoKα","","0.0887","0.0527","","","0.13","0.148","","","","","","1.035","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216608","8.9416","0.0011","8.1164","0.001","18.832","0.002","90","","91.627","0.003","90","","1366.2","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N2 O6 -","- C34 H28 N2 O6 -","- C68 H56 N4 O12 -","2","0.5","","Liu, Rong; Valiyaveettil, Suresh; Mok, Kum-Fun; Vittal, Jagadese J.; Hoong, Angelia Kar Min","Solid-state self-assembly of 1,4-bis(2-carboxybenzyloxy)benzene in the presence and absence of aromatic amines","CrystEngComm","2002","4","95","574","","10.1039/b206055h","","","0.71073","MoKα","","0.1171","0.0981","","","0.2763","0.2994","","","","","","1.075","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216738","19.4919","0.0005","19.4919","0.0005","25.8585","0.0015","90","","90","","90","","9824.5","0.7","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H20 N8 O4 P2 Zn -","- C20 H20 N8 O4 P2 Zn -","- C320 H320 N128 O64 P32 Zn16 -","16","0.5","","Pal, Souvik; Jana, Partha P.; Nayek, Hari Pada","Mononuclear complexes and a coordination polymer of the 2-pyridylamino (NH2Py) functionalized P(v) ligand","RSC Advances","2014","4","51","26902","","10.1039/c4ra02258k","","","0.71073","MoKα","","0.0844","0.0493","","","0.0909","0.1007","","","","","","1.029","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216739","19.3666","0.0012","19.3666","0.0012","25.514","0.003","90","","90","","90","","9569.4","1.4","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H20 N8 Ni O4 P2 -","- C20 H20 N8 Ni O4 P2 -","- C320 H320 N128 Ni16 O64 P32 -","16","0.5","","Pal, Souvik; Jana, Partha P.; Nayek, Hari Pada","Mononuclear complexes and a coordination polymer of the 2-pyridylamino (NH2Py) functionalized P(v) ligand","RSC Advances","2014","4","51","26902","","10.1039/c4ra02258k","","","0.71073","MoKα","","0.1345","0.0721","","","0.15","0.1768","","","","","","1.033","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216740","19.4697","0.0009","19.4697","0.0009","25.782","0.002","90","","90","","90","","9773.2","1","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H20 Co N8 O4 P2 -","- C20 H20 Co N8 O4 P2 -","- C320 H320 Co16 N128 O64 P32 -","16","0.5","","Pal, Souvik; Jana, Partha P.; Nayek, Hari Pada","Mononuclear complexes and a coordination polymer of the 2-pyridylamino (NH2Py) functionalized P(v) ligand","RSC Advances","2014","4","51","26902","","10.1039/c4ra02258k","","","0.71073","MoKα","","0.2323","0.098","","","0.0836","0.1044","","","","","","0.996","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216741","16.155","0.0007","9.501","0.0005","19.157","0.0009","90","","90","","90","","2940.4","0.2","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H20 Cl5 Cu2 N8 O4 P -","- C20 H20 Cl5 Cu2 N8 O4 P -","- C80 H80 Cl20 Cu8 N32 O16 P4 -","4","1","","Pal, Souvik; Jana, Partha P.; Nayek, Hari Pada","Mononuclear complexes and a coordination polymer of the 2-pyridylamino (NH2Py) functionalized P(v) ligand","RSC Advances","2014","4","51","26902","","10.1039/c4ra02258k","","","0.71073","MoKα","","0.0947","0.0603","","","0.1213","0.1357","","","","","","1.016","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216742","5.0503","0.0002","18.9742","0.0007","13.6338","0.0005","90","","97.537","0.002","90","","1295.18","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 Cl F6 N4 O3 -","- C8 H5 Cl F6 N4 O3 -","- C32 H20 Cl4 F24 N16 O12 -","4","1","","Leung, Franco King-Chi; Cui, Jian-Fang; Hui, Tsz-Wai; Zhou, Zhong-Yuan; Wong, Man-Kin","Hydrogen bond donor–acceptor–donor organocatalysis for conjugate addition of benzylidene barbiturates via complementary DAD–ADA hydrogen bonding","RSC Advances","2014","4","51","26748","","10.1039/c4ra04020a","","","0.71073","MoKα","","0.1034","0.0771","","","0.1938","0.2172","","","","","","1.001","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216745","12.905","0.003","24.536","0.005","12.31","0.003","90","","90.12","0.03","90","","3897.8","1.5","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H58 Al Cl5 Mg2 O6 -","- C28 H58 Al Cl5 Mg2 O6 -","- C112 H232 Al4 Cl20 Mg8 O24 -","4","1","","Zhao-Karger, Zhirong; Mueller, Jonathan E.; Zhao, Xiangyu; Fuhr, Olaf; Jacob, Timo; Fichtner, Maximilian","Novel transmetalation reaction for electrolyte synthesis for rechargeable magnesium batteries","RSC Advances","2014","4","51","26924","","10.1039/c4ra03867c","","","0.71073","MoKα","","0.1413","0.0878","","","0.2213","0.2686","","","","","","0.932","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216746","10.3321","0.0007","7.5712","0.0007","14.2704","0.0011","90","","110.807","0.005","90","","1043.52","0.15","150.15","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl4 Mg2 O6 -","- C12 H28 Cl4 Mg2 O6 -","- C24 H56 Cl8 Mg4 O12 -","2","0.5","","Zhao-Karger, Zhirong; Mueller, Jonathan E.; Zhao, Xiangyu; Fuhr, Olaf; Jacob, Timo; Fichtner, Maximilian","Novel transmetalation reaction for electrolyte synthesis for rechargeable magnesium batteries","RSC Advances","2014","4","51","26924","","10.1039/c4ra03867c","","x-ray","0.71073","MoKα","","0.0507","0.0306","","","0.0558","0.0593","","","","","","0.858","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216747","9.804","0.003","10.912","0.004","20.446","0.006","100.683","0.012","92.766","0.009","91.801","0.011","2145.1","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 Cd2 Eu2 N6 O28 -","- C28 H48 Cd2 Eu2 N6 O28 -","- C56 H96 Cd4 Eu4 N12 O56 -","2","1","","Liu, Qi; Wan, Fang; Qiu, Li-Xia; Sun, Yan-Qiong; Chen, Yi-Ping","Four 2D Ln‒Cd heterometal‒organic coordination polymers based on tetranuclear Ln‒Cd oxo-cluster with highly selective luminescent sensing of organic molecules and metal cations","RSC Advances","2014","4","51","27013","","10.1039/c4ra02953d","","","0.71073","MoKα","","0.0315","0.0267","","","0.0661","0.068","","","","","","1.007","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216748","9.779","0.002","10.868","0.002","20.395","0.004","100.77","0.03","92.74","0.03","91.79","0.03","2125.1","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 Cd2 Gd2 N6 O28 -","- C28 H44 Cd2 Gd2 N6 O28 -","- C56 H88 Cd4 Gd4 N12 O56 -","2","1","","Liu, Qi; Wan, Fang; Qiu, Li-Xia; Sun, Yan-Qiong; Chen, Yi-Ping","Four 2D Ln‒Cd heterometal‒organic coordination polymers based on tetranuclear Ln‒Cd oxo-cluster with highly selective luminescent sensing of organic molecules and metal cations","RSC Advances","2014","4","51","27013","","10.1039/c4ra02953d","","","0.71073","MoKα","","0.063","0.0433","","","0.1109","0.1237","","","","","","0.946","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216749","8.6545","0.0017","9.07","0.0018","15.407","0.003","98.47","0.03","101.37","0.03","103.33","0.03","1129.9","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H48 Cd3 Cl2 Eu2 N6 O26 -","- C28 H48 Cd3 Cl2 Eu2 N6 O26 -","- C28 H48 Cd3 Cl2 Eu2 N6 O26 -","1","0.5","","Liu, Qi; Wan, Fang; Qiu, Li-Xia; Sun, Yan-Qiong; Chen, Yi-Ping","Four 2D Ln‒Cd heterometal‒organic coordination polymers based on tetranuclear Ln‒Cd oxo-cluster with highly selective luminescent sensing of organic molecules and metal cations","RSC Advances","2014","4","51","27013","","10.1039/c4ra02953d","","","0.71073","MoKα","","0.0317","0.0298","","","0.0661","0.0671","","","","","","1.111","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216750","8.6521","0.0017","9.0758","0.0018","15.422","0.003","98.43","0.03","101.51","0.03","103.4","0.03","1130.5","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H48 Cd3 Cl2 N6 O26 Sm2 -","- C28 H48 Cd3 Cl2 N6 O26 Sm2 -","- C28 H48 Cd3 Cl2 N6 O26 Sm2 -","1","0.5","","Liu, Qi; Wan, Fang; Qiu, Li-Xia; Sun, Yan-Qiong; Chen, Yi-Ping","Four 2D Ln‒Cd heterometal‒organic coordination polymers based on tetranuclear Ln‒Cd oxo-cluster with highly selective luminescent sensing of organic molecules and metal cations","RSC Advances","2014","4","51","27013","","10.1039/c4ra02953d","","","0.71073","MoKα","","0.0277","0.0243","","","0.0798","0.0864","","","","","","1.223","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216751","11.63","0.003","8.2273","0.0018","16.079","0.004","90","","99.008","0.004","90","","1519.5","0.6","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl N Sb -","- C15 H17 Cl N Sb -","- C60 H68 Cl4 N4 Sb4 -","4","1","","Copolovici, Dana; Isaia, Francesco; Breunig, Hans J.; Raţ, Ciprian I.; Silvestru, Cristian","Palladium(ii) complexes with chiral organoantimony(iii) ligands. Solution behaviour and solid state structures","RSC Advances","2014","4","51","26569","","10.1039/c4ra03482a","","","0.71073","MoKα","","0.0377","0.0302","","","0.0607","0.0634","","","","","","1.046","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216752","8.8686","0.0006","16.5093","0.0012","17.0131","0.0012","90","","97.937","0.001","90","","2467.1","0.3","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 N Sb -","- C27 H34 N Sb -","- C108 H136 N4 Sb4 -","4","1","","Copolovici, Dana; Isaia, Francesco; Breunig, Hans J.; Raţ, Ciprian I.; Silvestru, Cristian","Palladium(ii) complexes with chiral organoantimony(iii) ligands. Solution behaviour and solid state structures","RSC Advances","2014","4","51","26569","","10.1039/c4ra03482a","","","0.71073","MoKα","","0.0528","0.0472","","","0.1012","0.1038","","","","","","1.174","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216753","8.7797","0.0009","10.3772","0.0011","15.8911","0.0017","98.954","0.002","102.05","0.002","96.987","0.002","1380.7","0.3","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H31 Cl4 N2 Pd Sb -","- C24 H31 Cl4 N2 Pd Sb -","- C48 H62 Cl8 N4 Pd2 Sb2 -","2","1","","Copolovici, Dana; Isaia, Francesco; Breunig, Hans J.; Raţ, Ciprian I.; Silvestru, Cristian","Palladium(ii) complexes with chiral organoantimony(iii) ligands. Solution behaviour and solid state structures","RSC Advances","2014","4","51","26569","","10.1039/c4ra03482a","","","0.71073","MoKα","","0.0797","0.0648","","","0.1129","0.1175","","","","","","1.249","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216754","9.3725","0.0007","23.1231","0.0018","12.9278","0.001","90","","107.679","0.001","90","","2669.4","0.4","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Cl2 N Pd Sb -","- C27 H34 Cl2 N Pd Sb -","- C108 H136 Cl8 N4 Pd4 Sb4 -","4","1","","Copolovici, Dana; Isaia, Francesco; Breunig, Hans J.; Raţ, Ciprian I.; Silvestru, Cristian","Palladium(ii) complexes with chiral organoantimony(iii) ligands. Solution behaviour and solid state structures","RSC Advances","2014","4","51","26569","","10.1039/c4ra03482a","","","0.71073","MoKα","","0.0433","0.0384","","","0.0818","0.0838","","","","","","1.137","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216765","13.208","0.0002","14.389","0.0002","16.8169","0.0002","90","","90","","90","","3196.05","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N4 S -","- C18 H18 N4 S -","- C144 H144 N32 S8 -","8","2","","Afraj, Shakil N.; Chen, Chinpiao; Lee, Gene-Hsian","Manganese(ii) chloride catalyzed highly efficient one-pot synthesis of propargylamines and fused triazoles via three-component coupling reaction under solvent-free condition","RSC Advances","2014","4","50","26301","","10.1039/c4ra03232b","","","0.71073","MoKα","","0.0718","0.04","","","0.0905","0.1053","","","","","","1.023","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216768","13.99","0.003","5.86","0.0012","9.6157","0.0019","90","","111.68","0.03","90","","732.5","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- K6 Mo2 O14 P2 -","- K6 Mo2 O14 P2 -","- K12 Mo4 O28 P4 -","2","0.25","","Luo, Siyang; Kang, Lei; Lin, Zheshuai; Chen, Chuangtian","K3MoPO7: the first molybdenum phosphate with edge-sharing MoO6 octahedra and PO4 tetrahedra","RSC Advances","2014","4","52","27122","","10.1039/c4ra03612c","","","0.71073","MoKα","","0.0311","0.029","","","0.0776","0.079","","","","","","1.064","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216781","9.3497","0.0003","9.916","0.0004","12.4927","0.0004","93.291","0.002","111.275","0.001","91.89","0.002","1075.7","0.07","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H16 Cl2 F8 N2 O2 Pd -","- C18 H16 Cl2 F8 N2 O2 Pd -","- C36 H32 Cl4 F16 N4 O4 Pd2 -","2","1","","Lu, Norman; Lin, Kwan-Yu; Kung, Chih-Chieh; Jhuo, Jyun-Wei; Zhou, Yingjie; Liu, Jingjing; Sun, Luyi","Intercalated polyfluorinated Pd complexes in α-zirconium phosphate for Sonogashira and Heck reactions","RSC Advances","2014","4","52","27329","","10.1039/c4ra01830c","","","0.71073","MoKα","","0.0398","0.0323","","","0.086","0.0976","","","","","","1.119","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216782","19.299","","6.62","","14.534","","90","","102.77","","90","","1810.93","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N4 O7 S -","- C15 H16 N4 O7 S -","- C60 H64 N16 O28 S4 -","4","1","","Tiwari, Karishma; Mishra, Monika; Singh, Vinod P.","8(E)-4-[{2-(2,4-dinitrophenyl)hydrazono}benzene-1,3-diol] as a solvatochromic Schiff base and chromogenic signaling of water content by its deprotonated form in acetonitrile","RSC Advances","2014","4","52","27556","","10.1039/c4ra03249g","","","0.71073","MoKα","","0.1691","0.0694","","","0.1294","0.1759","","","","","","0.994","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216783","5.5171","0.0015","8.125","0.002","10.508","0.003","99.439","0.003","104.41","0.004","94.54","0.003","446.5","0.2","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H19 N O4 S -","- C20 H19 N O4 S -","- C20 H19 N O4 S -","1","1","","Zhao, Bo-Liang; Du, Da-Ming","Catalytic asymmetric conjugate addition of various α-mercaptoketones to α,β-unsaturated N-acylated oxazolidin-2-ones with bifunctional organocatalyst","RSC Advances","2014","4","52","27346","","10.1039/c4ra02400a","","","0.71073","MoKα","","0.0307","0.0288","","","0.0624","0.063","","","","","","1","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216784","8.9553","0.0013","9.957","0.0014","12.2938","0.0017","107.762","0.002","97.915","0.002","98.959","0.002","1011","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 F N3 O4 -","- C20 H25 F N3 O4 -","- C40 H50 F2 N6 O8 -","2","1","","Liu, Jin; Zhang, Hai-Rui; Lin, Xin-Rong; Yan, Sheng-Jiao; Lin, Jun","Catalyst-free cascade reaction of heterocyclic ketene aminals with N-substituted maleimide to synthesise bicyclic pyrrolidinone derivatives","RSC Advances","2014","4","52","27582","","10.1039/c4ra03863k","","","0.71073","MoKα","","0.1158","0.0723","","","0.2002","0.2346","","","","","","1.299","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216860","12.0792","0.0005","9.1171","0.0004","15.1341","0.0007","90","","90","","90","","1666.68","0.13","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H15 N4 O2 -","- C20 H14 N4 O2 -","- C80 H56 N16 O8 -","4","1","","Mukherjee, Manjira; Pal, Siddhartha; Sen, Buddhadeb; Lohar, Somenath; Banerjee, Samya; Banerjee, Snehasis; Chattopadhyay, Pabitra","Substituent effect on fluorescence signaling of the cell permeable HSO4− receptors through single point to ratiometric response in green solvent","RSC Advances","2014","4","53","27665","","10.1039/c4ra03551h","","","0.71073","MoKα","","0.0356","0.0302","","","0.0797","0.0847","","","","","","1.033","","","","has coordinates","194043","2020-10-21","18:00:00",""
"7216861","10.6696","0.0013","13.6752","0.0017","11.3635","0.0014","90","","102.968","0.006","90","","1615.7","0.3","90","2","90","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H45 O11 -","- C34 H45 O11 -","- C68 H90 O22 -","2","1","","Haldar, Saikat; Kolet, Swati P.; Dandekar, Devdutta S.; Kale, Balaji S.; Gonnade, Rajesh G.; Thulasiram, Hirekodathakallu V.","Biocatalyst mediated functionalization of salannin, an insecticidal limonoid","RSC Advances","2014","4","53","27661","","10.1039/c4ra04652h","","","0.71073","MoKα","","0.0752","0.0567","","","0.1369","0.151","","","","","","1.039","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216865","7.1747","0.0005","11.1258","0.0013","11.4017","0.0008","98.021","0.008","90.098","0.006","106.227","0.008","864.53","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Mo2 N3 Ni O7 -","- C15 H12 Mo2 N3 Ni O7 -","- C30 H24 Mo4 N6 Ni2 O14 -","2","1","","Liang, Ji-Lei; Lu, Yu-Kun; Zhao, Jin-chong; Li, Xue-Hui; Pan, Yuan; Wu, Meng-Meng; Liu, Yun-Qi; Liu, Chen-Guang","A novel POMos-based hybrid with penta-coordinated Mo in trigonal bipyramid: structure and an efficient precursor for hydrodesulfurization catalyst","RSC Advances","2014","4","53","27787","","10.1039/c4ra02696a","","","0.71073","MoKα","","0.0537","0.037","","","0.0833","0.0925","","","","","","1.021","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216994","8.7232","0.0006","7.1849","0.0006","8.8033","0.0005","90","","92.428","0.006","90","","551.25","0.07","298","","298","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- N4 S4 -","- N4 S4 -","- N16 S16 -","4","1","","Kumar, Baskaran Ganesh; Muralidharan, Krishnamurthi","S4N4 as an intermediate in Ag2S nanoparticle synthesis","RSC Advances","2014","4","54","28219","","10.1039/c4ra04339a","","","0.71073","MoKα","","0.0332","0.031","","","0.0786","0.0811","","","","","","1.092","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216995","12.9346","0.0004","21.7846","0.0008","4.7923","0.0002","90","","90","","90","","1350.35","0.09","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C6 H5 N3 S -","- C6 H5 N3 S -","- C48 H40 N24 S8 -","8","1","","Bashirov, Denis A.; Sukhikh, Taisiya S.; Kuratieva, Natalia V.; Chulanova, Elena A.; Yushina, Irina V.; Gritsan, Nina P.; Konchenko, Sergey N.; Zibarev, Andrey V.","Novel applications of functionalized 2,1,3-benzothiadiazoles for coordination chemistry and crystal engineering","RSC Advances","2014","4","54","28309","","10.1039/c4ra03342f","","x-ray","0.71073","MoKα","","0.0381","0.0352","","","0.1017","0.1043","","","","","","1.082","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7216996","27.5548","0.0008","4.6491","0.0002","12.4548","0.0004","90","","102.699","0.001","90","","1556.49","0.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl2 N6 S2 Zn -","- C12 H10 Cl2 N6 S2 Zn -","- C48 H40 Cl8 N24 S8 Zn4 -","4","0.5","","Bashirov, Denis A.; Sukhikh, Taisiya S.; Kuratieva, Natalia V.; Chulanova, Elena A.; Yushina, Irina V.; Gritsan, Nina P.; Konchenko, Sergey N.; Zibarev, Andrey V.","Novel applications of functionalized 2,1,3-benzothiadiazoles for coordination chemistry and crystal engineering","RSC Advances","2014","4","54","28309","","10.1039/c4ra03342f","","x-ray","0.71073","MoKα","","0.0306","0.025","","","0.0618","0.064","","","","","","1.062","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216997","4.6171","0.0002","9.9885","0.0004","14.8728","0.0006","90","","98.403","0.001","90","","678.54","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 N3 O2 S -","- C6 H3 N3 O2 S -","- C24 H12 N12 O8 S4 -","4","1","","Bashirov, Denis A.; Sukhikh, Taisiya S.; Kuratieva, Natalia V.; Chulanova, Elena A.; Yushina, Irina V.; Gritsan, Nina P.; Konchenko, Sergey N.; Zibarev, Andrey V.","Novel applications of functionalized 2,1,3-benzothiadiazoles for coordination chemistry and crystal engineering","RSC Advances","2014","4","54","28309","","10.1039/c4ra03342f","","x-ray","0.71073","MoKα","","0.0368","0.0302","","","0.0806","0.0839","","","","","","1.062","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7216998","7.4742","0.0002","8.3487","0.0003","11.8518","0.0004","82.88","0.002","79.48","0.002","69.068","0.001","677.74","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 N6 O2 S2 -","- C12 H8 N6 O2 S2 -","- C24 H16 N12 O4 S4 -","2","1","","Bashirov, Denis A.; Sukhikh, Taisiya S.; Kuratieva, Natalia V.; Chulanova, Elena A.; Yushina, Irina V.; Gritsan, Nina P.; Konchenko, Sergey N.; Zibarev, Andrey V.","Novel applications of functionalized 2,1,3-benzothiadiazoles for coordination chemistry and crystal engineering","RSC Advances","2014","4","54","28309","","10.1039/c4ra03342f","","x-ray","0.71073","MoKα","","0.0509","0.036","","","0.0879","0.0925","","","","","","1.032","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217003","7.1492","0.0007","7.7691","0.0008","14.105","0.002","97.012","0.01","102.997","0.01","98.628","0.008","744.79","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N4 O2 S -","- C16 H14 N4 O2 S -","- C32 H28 N8 O4 S2 -","2","1","","Reddy, Alla Siva; Reddy, M. Nagarjuna; Swamy, K. C. Kumara","A simple copper-catalysed tandem cyclisation of ynamides leading to triazolo-1,2,4-benzothiadiazine-1,1-dioxides in PEG-400 medium","RSC Advances","2014","4","54","28359","","10.1039/c4ra03503h","","","0.71073","MoKα","","0.0493","0.0405","","","0.1092","0.1171","","","","","","1.05","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217004","8.0936","0.0011","21.469","0.003","6.2322","0.0008","90","","95.001","0.011","90","","1078.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 S -","- C10 H10 N4 O2 S -","- C40 H40 N16 O8 S4 -","4","1","","Reddy, Alla Siva; Reddy, M. Nagarjuna; Swamy, K. C. Kumara","A simple copper-catalysed tandem cyclisation of ynamides leading to triazolo-1,2,4-benzothiadiazine-1,1-dioxides in PEG-400 medium","RSC Advances","2014","4","54","28359","","10.1039/c4ra03503h","","","0.71073","MoKα","","0.0545","0.0442","","","0.1097","0.1167","","","","","","1.092","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217005","10.3978","0.0017","19.453","0.004","9.6211","0.0019","90","","97.179","0.016","90","","1930.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O5 S -","- C18 H20 N2 O5 S -","- C72 H80 N8 O20 S4 -","4","1","","Reddy, Alla Siva; Reddy, M. Nagarjuna; Swamy, K. C. Kumara","A simple copper-catalysed tandem cyclisation of ynamides leading to triazolo-1,2,4-benzothiadiazine-1,1-dioxides in PEG-400 medium","RSC Advances","2014","4","54","28359","","10.1039/c4ra03503h","","","1.54184","CuKα","","0.1149","0.0622","","","0.1826","0.2664","","","","","","1.026","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217006","11.1975","0.0004","13.062","0.0004","18.1803","0.0008","80.332","0.001","86.953","0.001","89.764","0.001","2617.58","0.17","150","0.2","150","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H29 I14 K2 Mo6 N5 O3 -","- C16 H29 I14 K2 Mo6 N5 O3 -","- C32 H58 I28 K4 Mo12 N10 O6 -","2","1","","Elistratova, Julia; Mikhailov, Maxim; Burilov, Vladimir; Babaev, Vasily; Rizvanov, Ildar; Mustafina, Asiya; Abramov, Pavel; Sokolov, Maxim; Konovalov, Alexander; Fedin, Vladimir","Supramolecular assemblies of triblock copolymers with hexanuclear molybdenum clusters for sensing antibiotics in aqueous solutions via energy transfer","RSC Advances","2014","4","53","27922","","10.1039/c4ra02457e","","","0.71073","MoKα","","0.0607","0.041","","","0.0851","0.0927","","","","","","1.043","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217007","10.4798","0.0003","11.0059","0.0003","13.2185","0.0003","113.459","0.001","99.171","0.001","103.312","0.001","1306.09","0.06","150","0.2","150","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H34 I14 K2 Mo6 N2 O6 -","- C16 H34 I14 K2 Mo6 N2 O6 -","- C16 H34 I14 K2 Mo6 N2 O6 -","1","0.5","","Elistratova, Julia; Mikhailov, Maxim; Burilov, Vladimir; Babaev, Vasily; Rizvanov, Ildar; Mustafina, Asiya; Abramov, Pavel; Sokolov, Maxim; Konovalov, Alexander; Fedin, Vladimir","Supramolecular assemblies of triblock copolymers with hexanuclear molybdenum clusters for sensing antibiotics in aqueous solutions via energy transfer","RSC Advances","2014","4","53","27922","","10.1039/c4ra02457e","","","0.71073","MoKα","","0.0275","0.0231","","","0.0484","0.0498","","","","","","1.04","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217014","15.061","0.005","4.938","0.002","20.805","0.003","90","","130.93","0.02","90","","1169","0.7","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","1,3-bis(1-uracilyl)-propan-2-one","","- C11 H10 N4 O5 -","- C11 H10 N4 O5 -","- C44 H40 N16 O20 -","4","1","","Roviello, Giovanni N.; Roviello, Giuseppina; Musumeci, Domenica; Capasso, Domenica; Di Gaetano, Sonia; Costanzo, Michele; Pedone, Carlo","Synthesis and supramolecular assembly of 1,3-bis(1′-uracilyl)-2-propanone","RSC Advances","2014","4","54","28691","","10.1039/c4ra03713h","","","0.71073","MoKα","","0.1173","0.071","","","0.2209","0.2947","","","","","","1.114","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217022","23.4276","0.0004","23.4276","0.0004","32.0967","0.0009","90","","90","","90","","17616.4","0.7","124.8","0.3","124.8","0.3","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C88 H207 As4 N13 O216 Re12 W44 -","- C88 H156 As4 N13 O216 Re12 W44 -","- C176 H312 As8 N26 O432 Re24 W88 -","2","0.25","","Zhang, Yanhui; Zhang, Dongdi; Huo, Zhiyuan; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","A monovacant heteropolytungstate-incorporated trimeric carbonyl rhenium cluster, [(AsW11O39){Re(CO)3}3(μ3-OH)(μ2-OH)]6−: synthesis, structure and catalytic properties","RSC Advances","2014","4","55","28848","","10.1039/c4ra03532a","","","0.71073","MoKα","","0.1079","0.0665","","","0.1355","0.1572","","","","","","1.054","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217031","10.0111","0.0006","11.8131","0.0007","16.4284","0.0009","84.685","0.002","88.79","0.003","83.889","0.003","1923.39","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 F3 N2 O3.5 -","- C21 H20 F3 N2 O3.5 -","- C84 H80 F12 N8 O14 -","4","2","","Ramachandran, G.; Raman, A.; Easwaramoorthi, S.; Rathore, R. S.; Sathiyanarayanan, K.","Four component domino reaction for the synthesis of highly functionalized dimeric tetracyclic dilactam fluorophores: H-bond aided self-assembly","RSC Advances","2014","4","55","29276","","10.1039/c4ra03622k","","","0.71073","MoKα","","0.0864","0.0504","","","0.1296","0.1579","","","","","","1.006","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217072","7.5528","0.0003","12.8145","0.0004","28.2258","0.0009","90","","90","","90","","2731.84","0.16","112","4","112","4","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C15 H13 Cl N4 O -","- C15 H13 Cl N4 O -","- C120 H104 Cl8 N32 O8 -","8","1","","Dhanalakshmi, Pandi; Shanmugam, Sivakumar","Convenient one-pot multicomponent strategy for the synthesis of 6-pyrrolylpyrimidines","RSC Advances","2014","4","56","29493","","10.1039/c4ra02891k","","","0.7107","MoKα","","0.0463","0.0386","","","0.0924","0.0977","","","","","","1.073","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217073","11.7433","0.0005","12.0617","0.0005","13.2191","0.0006","105.995","0.001","90.835","0.001","117.259","0.001","1578.17","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Br2 F3 N2 O9 -","- C28 H27 Br2 F3 N2 O9 -","- C56 H54 Br4 F6 N4 O18 -","2","1","","Li, Jia; Shi, Wei; Yang, WenXin; Kang, ZhangPing; Zhang, Min; Song, LiPing","First synthesis of unexpected functionalized trifluoromethylated 8-oxa-2,4-diazaspiro[5.5]undecanes via one-pot MCRs","RSC Advances","2014","4","56","29549","","10.1039/c4ra03199g","","","0.71073","MoKα","","0.0565","0.0444","","","0.1056","0.1134","","","","","","1.066","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217079","14.033","0.003","38.45","0.008","10.289","0.002","90","","90","","90","","5552","2","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C29 H35 N3 O4 -","- C29 H35 N3 O4 -","- C232 H280 N24 O32 -","8","0.5","","Li, Yan; Jia, Yiming; Wang, Zhenwen; Li, Xianghui; Feng, Wen; Deng, Pengchi; Yuan, Lihua","An insight into the extraction of transition metal ions by picolinamides associated with intramolecular hydrogen bonding and rotational isomerization","RSC Advances","2014","4","56","29702","","10.1039/C4RA02030H","","","0.71073","MoKα","","0.0631","0.0452","","","0.1045","0.1133","","","","","","1.053","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217080","15.0617","0.0007","8.8547","0.0006","17.7386","0.001","90","","97.11","0.004","90","","2347.5","0.2","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 N3 O4 -","- C25 H27 N3 O4 -","- C100 H108 N12 O16 -","4","1","","Li, Yan; Jia, Yiming; Wang, Zhenwen; Li, Xianghui; Feng, Wen; Deng, Pengchi; Yuan, Lihua","An insight into the extraction of transition metal ions by picolinamides associated with intramolecular hydrogen bonding and rotational isomerization","RSC Advances","2014","4","56","29702","","10.1039/C4RA02030H","","","0.7107","MoKα","","0.1052","0.0753","","","0.1992","0.2198","","","","","","1.058","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217093","11.231","0.0005","17.3234","0.0007","31.724","0.0019","90","","90","","90","","6172.2","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C240 H384 O48 -","16","4","","Zhang, Zhan-Xin; Li, Hui-Hong; Qi, Feng-Ming; Dong, Le-Le; Hai, Yang; Fan, Gai-Xia; Fei, Dong-Qing","Crocrassins A and B: two novel sesquiterpenoids with an unprecedented carbon skeleton from Croton crassifolius","RSC Advances","2014","4","57","30059","","10.1039/C4RA03798G","","","1.54184","CuKα","","0.0953","0.0706","","","0.1746","0.2085","","","","","","1.021","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217094","9.5167","0.0005","9.9644","0.0003","19.0736","0.0007","90","","100.406","0.004","90","","1778.97","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Al O6 -","- C21 H15 Al O6 -","- C84 H60 Al4 O24 -","4","1","","Sanwaria, Anita Raj; Nagar, Meena; Bohra, Rakesh; Chaudhary, Archana; Mobin, Shaikh M.; Mathur, Pradeep; Choudhary, Banwari L.","Sol‒gel synthesis of highly pure α-Al2O3nano-rods from a new class of precursors of salicylaldehyde-modified aluminum(iii) isopropoxide. Crystal and molecular structure of [Al(OC6H4CHO)3]","RSC Advances","2014","4","57","30081","","10.1039/C4RA03245D","","","0.71073","MoKα","","0.0858","0.0554","","","0.1239","0.1429","","","","","","1.015","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7217161","9.349","0.003","11.14","0.004","18.86","0.006","93.05","0.013","92.208","0.012","113.907","0.011","1789.3","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H33 Cu N2 P2 S -","- C40 H33 Cu N2 P2 S -","- C80 H66 Cu2 N4 P4 S2 -","2","1","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Sultana, Razia; Castineiras, Alfonso; Butcher, Ray J.; Jasinski, Jerry P.","Coordination variability of CuIin multidonor heterocyclic thioamides: synthesis, crystal structures, luminescent properties and ESI-mass studies of complexes","RSC Advances","2014","4","58","30511","","10.1039/C4RA02748E","","","0.71073","MoKα","","0.0468","0.0339","","","0.0834","0.1023","","","","","","1.008","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217162","9.0783","0.0002","25.2036","0.0006","16.9815","0.0005","90","","102.171","0.003","90","","3798.13","0.17","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H37 Cu N4 O P2 S -","- C42 H37 Cu N4 O P2 S -","- C168 H148 Cu4 N16 O4 P8 S4 -","4","1","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Sultana, Razia; Castineiras, Alfonso; Butcher, Ray J.; Jasinski, Jerry P.","Coordination variability of CuIin multidonor heterocyclic thioamides: synthesis, crystal structures, luminescent properties and ESI-mass studies of complexes","RSC Advances","2014","4","58","30511","","10.1039/C4RA02748E","","","0.71073","MoKα","","0.0481","0.0395","","","0.1027","0.1095","","","","","","1.078","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217163","12.6132","0.0006","12.6674","0.0006","17.0373","0.0007","88.319","0.003","69.754","0.004","65.581","0.004","2304.8","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H36 Cu2 N8 P2 S2 -","- C46 H36 Cu2 N8 P2 S2 -","- C92 H72 Cu4 N16 P4 S4 -","2","1","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Sultana, Razia; Castineiras, Alfonso; Butcher, Ray J.; Jasinski, Jerry P.","Coordination variability of CuIin multidonor heterocyclic thioamides: synthesis, crystal structures, luminescent properties and ESI-mass studies of complexes","RSC Advances","2014","4","58","30511","","10.1039/C4RA02748E","","","1.54184","CuKα","","0.0715","0.0556","","","0.1583","0.1757","","","","","","1.034","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217164","10.8164","0.0009","13.1393","0.001","14.7805","0.001","76.189","0.006","81.704","0.006","67.452","0.007","1880.7","0.3","170","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H34 Cl Cu N2 O P2 S -","- C40 H34 Cl Cu N2 O P2 S -","- C80 H68 Cl2 Cu2 N4 O2 P4 S2 -","2","1","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Sultana, Razia; Castineiras, Alfonso; Butcher, Ray J.; Jasinski, Jerry P.","Coordination variability of CuIin multidonor heterocyclic thioamides: synthesis, crystal structures, luminescent properties and ESI-mass studies of complexes","RSC Advances","2014","4","58","30511","","10.1039/C4RA02748E","","","0.71073","MoKα","","0.066","0.0433","","","0.096","0.1122","","","","","","1.068","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217165","17.6065","0.0005","18.9904","0.0006","22.8262","0.0007","66.994","0.003","69.512","0.003","81.169","0.003","6579.4","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H63 Cl Cu2 N2 P4 S2 -","- C76 H63 Cl Cu2 N2 P4 S2 -","- C304 H252 Cl4 Cu8 N8 P16 S8 -","4","2","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Sultana, Razia; Castineiras, Alfonso; Butcher, Ray J.; Jasinski, Jerry P.","Coordination variability of CuIin multidonor heterocyclic thioamides: synthesis, crystal structures, luminescent properties and ESI-mass studies of complexes","RSC Advances","2014","4","58","30511","","10.1039/C4RA02748E","","","0.71073","MoKα","","0.1037","0.0542","","","0.1041","0.1234","","","","","","1.016","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217166","17.5439","0.0003","18.7998","0.0003","22.7125","0.0004","67.538","0.002","69.421","0.002","80.742","0.001","6477.9","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H63 Br Cu2 N2 P4 S2 -","- C76 H63 Br Cu2 N2 P4 S2 -","- C304 H252 Br4 Cu8 N8 P16 S8 -","4","2","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Sultana, Razia; Castineiras, Alfonso; Butcher, Ray J.; Jasinski, Jerry P.","Coordination variability of CuIin multidonor heterocyclic thioamides: synthesis, crystal structures, luminescent properties and ESI-mass studies of complexes","RSC Advances","2014","4","58","30511","","10.1039/C4RA02748E","","","0.71073","MoKα","","0.1342","0.0683","","","0.1416","0.1722","","","","","","1.019","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217167","12.864","0.004","16.167","0.005","17.506","0.005","90","","95.271","0.004","90","","3625.4","1.9","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H33 Cu N3 O0.5 P2 S3 -","- C39 H33 Cu N3 O0.5 P2 S3 -","- C156 H132 Cu4 N12 O2 P8 S12 -","4","2","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Sultana, Razia; Castineiras, Alfonso; Butcher, Ray J.; Jasinski, Jerry P.","Coordination variability of CuIin multidonor heterocyclic thioamides: synthesis, crystal structures, luminescent properties and ESI-mass studies of complexes","RSC Advances","2014","4","58","30511","","10.1039/C4RA02748E","","","0.71073","MoKα","","0.0675","0.0495","","","0.1119","0.1213","","","","","","1.048","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217168","12.8825","0.0005","13.2054","0.0005","33.4043","0.0011","93.223","0.003","96.511","0.003","119.084","0.004","4893.4","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C111 H92 Br2 Cu3 N3 P6 S3 -","- C111 H92 Br2 Cu3 N3 P6 S3 -","- C222 H184 Br4 Cu6 N6 P12 S6 -","2","1","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Sultana, Razia; Castineiras, Alfonso; Butcher, Ray J.; Jasinski, Jerry P.","Coordination variability of CuIin multidonor heterocyclic thioamides: synthesis, crystal structures, luminescent properties and ESI-mass studies of complexes","RSC Advances","2014","4","58","30511","","10.1039/C4RA02748E","","","0.71073","MoKα","","0.0932","0.0679","","","0.1345","0.1475","","","","","","1.102","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217195","12.0005","0.0003","17.7747","0.0003","17.9712","0.0004","112.81","0.002","102.108","0.002","94.844","0.002","3396.02","0.15","153","4","153","4","","","","","","","","7","P -1","-P 1","2","","","","- C25 H37 Ge N3 O6 Ru2 Si2 -","- C25 H37 Ge N3 O6 Ru2 Si2 -","- C100 H148 Ge4 N12 O24 Ru8 Si8 -","4","2","","Cabeza, Javier A.; Fernández-Colinas, José M.; García-Álvarez, Pablo; Polo, Diego","Steric effects in the reactions of amidinate germylenes with ruthenium carbonyl: isolation of a coordinatively unsaturated diruthenium(0) derivative","RSC Advances","2014","4","59","31503","","10.1039/C4RA05972G","","","1.5418","CuKα","","0.0236","0.0223","","","0.0585","0.0597","","","","","","1.03","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217196","13.0728","0.0005","13.3171","0.0004","17.1692","0.0005","73.514","0.003","72.315","0.003","72.066","0.003","2649.05","0.16","154","2","154","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H61 Ge N3 O5 Ru2 Si2 Sn -","- C49 H61 Ge N3 O5 Ru2 Si2 Sn -","- C98 H122 Ge2 N6 O10 Ru4 Si4 Sn2 -","2","1","","Cabeza, Javier A.; Fernández-Colinas, José M.; García-Álvarez, Pablo; Polo, Diego","Steric effects in the reactions of amidinate germylenes with ruthenium carbonyl: isolation of a coordinatively unsaturated diruthenium(0) derivative","RSC Advances","2014","4","59","31503","","10.1039/C4RA05972G","","","1.5418","CuKα","","0.031","0.0248","","","0.0577","0.0622","","","","","","1.034","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217318","9.7889","0.0017","6.4372","0.0011","29.94","0.006","90","","96.75","0.013","90","","1873.5","0.6","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N O -","- C26 H23 N O -","- C104 H92 N4 O4 -","4","1","","Sasaki, Shunsuke; Niko, Yosuke; Igawa, Kazunobu; Konishi, Gen-ichi","Aggregation-induced emission active D-π-A binaphthyl luminophore with dual-mode fluorescence","RSC Advances","2014","4","63","33474","","10.1039/C4RA05871B","","","1.54187","CuKα","","","0.0361","","","","0.0659","","","","","","1.001","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217636","9.415","0.0016","5.6395","0.0009","12.3566","0.0018","90","","110.273","0.018","90","","615.44","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(4-methoxybenzyl)-2H-indazole","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C30 H28 N4 O2 -","2","1","","Vidyacharan, Shinde; Sagar, A.; Chaitra, N. C.; Sharada, Duddu S.","A facile synthesis of 2H-indazoles under neat conditions and further transformation into aza-γ-carboline alkaloid analogues in a tandem one-pot fashion","RSC Advances","2014","4","65","34232","","10.1039/C4RA06838F","","","1.54184","CuKα","","0.0463","0.0386","","","0.0975","0.1079","","","","","","1.091","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217637","26.916","0.003","8.0515","0.0009","17.954","0.002","90","","123.571","0.002","90","","3241.9","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 B F2 N O3 -","- C18 H16 B F2 N O3 -","- C144 H128 B8 F16 N8 O24 -","8","1","","Liu, Xu; Zhang, Qian; Xin, Xiaoqing; Zhang, Rui; Zhang, Ning; Liang, Yongjiu; Dong, Dewen","BF3•Et2O-Mediated Intramolecular Cyclization of Unsaturated Amides: Convenient Synthesis of Dihydroquinolin-2-one-BF2 Complexes","RSC Advances","2014","4","68","36234","36240","10.1039/C4RA06151A","","","0.71073","MoKα","","0.1149","0.0633","","","0.1249","0.145","","","","","","1.027","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217638","7.643","0.005","12.269","0.005","12.84","0.005","101.954","0.005","104.028","0.005","98.284","0.005","1118.6","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","8-(2-Chlorophenyl)-2,2-difluoro-7-(4-methoxyphenyl)-4-methyl-7,8-dihydro-2H-[1,3,2]dioxaborinino[4,5-b]pyridin-1-ium-2-uide","","","- C45 H38 B2 Cl2 F4 N2 O6 -","- C45 H32 B2 Cl2 F4 N2 O6 -","- C45 H32 B2 Cl2 F4 N2 O6 -","1","0.5","","Liu, Xu; Zhang, Qian; Xin, Xiaoqing; Zhang, Rui; Zhang, Ning; Liang, Yongjiu; Dong, Dewen","BF3•Et2O-Mediated Intramolecular Cyclization of Unsaturated Amides: Convenient Synthesis of Dihydroquinolin-2-one-BF2 Complexes","RSC Advances","2014","4","68","36234","36240","10.1039/C4RA06151A","","","0.71073","MoKα","","0.1055","0.0884","","","0.2757","0.2992","","","","","","1.05","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217663","14.736","0.003","11.765","0.002","23.928","0.005","90","","105.91","0.03","90","","3989.5","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B16 H14 Na6 O48 U -","- B16 H14 Na6 O48 U -","- B64 H56 Na24 O192 U4 -","4","1","","Zhang, Yingjie; Bhadbhade, Mohan; Price, Jason R.; Karatchevtseva, Inna; Collison, David; Lumpkin, Gregory R.","Kinetics vs. thermodynamics: a unique crystal transformation from a uranyl peroxo-nanocluster to a nanoclustered uranyl polyborate","RSC Advances","2014","4","65","34244","","10.1039/C4RA06970F","","","0.7293","Synchrotron","","0.034","0.0331","","","0.0953","0.0961","","","","","","1.075","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7217664","20.234","0.003","20.234","0.003","26.874","0.005","90","","90","","90","","11003","3","100","2","100","2","","","","","","","","2","P 4/m n c","-P 4 2n","128","","","","- O118 U28 -","- O118 U28 -","- O236 U56 -","2","0.125","","Zhang, Yingjie; Bhadbhade, Mohan; Price, Jason R.; Karatchevtseva, Inna; Collison, David; Lumpkin, Gregory R.","Kinetics vs. thermodynamics: a unique crystal transformation from a uranyl peroxo-nanocluster to a nanoclustered uranyl polyborate","RSC Advances","2014","4","65","34244","","10.1039/C4RA06970F","","","0.71073","Synchrotron","","0.0634","0.0605","","","0.2467","0.2541","","","","","","1.246","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7217730","9.998","0.0004","11.2625","0.0004","11.6848","0.0005","64.985","0.001","80.227","0.002","89.948","0.002","1171.31","0.08","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H58 N4 O4 -","- C58 H58 N4 O4 -","- C58 H58 N4 O4 -","1","0.5","","Brauchli, Sven Y.; Bozic-Weber, Biljana; Constable, Edwin C.; Hostettler, Nik; Housecroft, Catherine E.; Zampese, Jennifer A.","Factors controlling the photoresponse of copper(i) diimine dyes containing hole-transporting dendrons in dye-sensitized solar cells: substituent and solvent effects","RSC Advances","2014","4","66","34801","","10.1039/C4RA03700F","","","1.54178","CuKα","","0.0376","0.0343","","","0.091","0.0942","","","","","","1.04","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217734","16.3889","0.001","8.8163","0.0003","14.1318","0.0004","90","","90","","90","","2041.9","0.15","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C16 H22 Cl2 N4 O4 Pd -","- C16 H18 Cl2 N4 O4 Pd -","- C64 H72 Cl8 N16 O16 Pd4 -","4","0.5","","Kumar, Alok; Purkait, Kallol; Dey, Suman Kr.; Sarkar, Amrita; Mukherjee, Arindam","A hydroquinone based palladium catalyst for room temperature nitro reduction in water","RSC Advances","2014","4","66","35233","","10.1039/C4RA06547F","","","0.71073","MoKα","","0.0386","0.0342","","","0.0752","0.0798","","","","","","1.072","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217753","10.401","0.003","14.123","0.004","19.125","0.006","90.608","0.008","96.072","0.009","99.224","0.009","2756.4","1.4","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Cl2 Cu2 F2 N12 O17 -","- C50 H52 Cl2 Cu2 F2 N12 O17 -","- C100 H104 Cl4 Cu4 F4 N24 O34 -","2","1","","Huang, Wan-Yun; Li, Ji; Kong, Shi-Lin; Wang, Zhong-Chang; Zhu, Hai-Liang","Cu(ii) and Co(ii) ternary complexes of quinolone antimicrobial drug enoxacin and levofloxacin: structure and biological evaluation","RSC Advances","2014","4","66","35193","","10.1039/C4RA05812G","","","0.71073","MoKα","","0.2455","0.1015","","","0.1741","0.2222","","","","","","1.076","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217754","13.2744","0.0014","13.713","0.002","14.1741","0.0015","81.403","0.012","64.381","0.01","89.639","0.011","2295.4","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H49 Cl Co F2 N8 O14 -","- C42 H49 Cl Co F2 N8 O14 -","- C84 H98 Cl2 Co2 F4 N16 O28 -","2","1","","Huang, Wan-Yun; Li, Ji; Kong, Shi-Lin; Wang, Zhong-Chang; Zhu, Hai-Liang","Cu(ii) and Co(ii) ternary complexes of quinolone antimicrobial drug enoxacin and levofloxacin: structure and biological evaluation","RSC Advances","2014","4","66","35193","","10.1039/C4RA05812G","","","0.71073","MoKα","","0.0891","0.0706","","","0.1941","0.2097","","","","","","1.146","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217755","10.598","0.003","10.71","0.003","15.085","0.004","80.41","0.004","86.353","0.004","69.459","0.003","1580.9","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H33 Cl Cu F N5 O11 -","- C28 H33 Cl Cu F N5 O11 -","- C56 H66 Cl2 Cu2 F2 N10 O22 -","2","1","","Huang, Wan-Yun; Li, Ji; Kong, Shi-Lin; Wang, Zhong-Chang; Zhu, Hai-Liang","Cu(ii) and Co(ii) ternary complexes of quinolone antimicrobial drug enoxacin and levofloxacin: structure and biological evaluation","RSC Advances","2014","4","66","35193","","10.1039/C4RA05812G","","","0.71073","MoKα","","0.0495","0.0459","","","0.1548","0.1579","","","","","","1.073","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217756","20.36","0.011","32.323","0.016","10.184","0.005","90","","109.733","0.006","90","","6308","6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H48 Cl2 Co F2 N8 O24 -","- C48 H48 Cl2 Co F2 N8 O24 -","- C192 H192 Cl8 Co4 F8 N32 O96 -","4","0.5","","Huang, Wan-Yun; Li, Ji; Kong, Shi-Lin; Wang, Zhong-Chang; Zhu, Hai-Liang","Cu(ii) and Co(ii) ternary complexes of quinolone antimicrobial drug enoxacin and levofloxacin: structure and biological evaluation","RSC Advances","2014","4","66","35193","","10.1039/C4RA05812G","","","0.71073","MoKα","","0.1422","0.0987","","","0.2574","0.3029","","","","","","1.097","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217788","31.2188","0.0014","17.1001","0.0007","23.3745","0.001","90","","90.371","0.001","90","","12478.1","0.9","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C130 H138 Au8 N2 O12 P8 -","- C130 H138 Au8 N2 O12 P8 -","- C520 H552 Au32 N8 O48 P32 -","4","0.5","","Zhang, Xiao-jing; Li, Jian-qiang; Liu, Shu-juan; Luo, Ming-biao; Feng, Xue-feng; Luo, Feng","An unprecedented (3, 6)-connected net featuring tcj-3,6-P21/c topology","RSC Advances","2014","4","68","36282","","10.1039/C4RA05134C","","","0.71073","MoKα","","0.0459","0.0319","","","0.0881","0.1042","","","","","","1.141","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217796","6.6657","0.0012","8.9418","0.0016","19.201","0.004","87.395","0.003","87.173","0.004","88.605","0.004","1141.6","0.4","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 N3 O3 -","- C27 H29 N3 O3 -","- C54 H58 N6 O6 -","2","1","","Yu, Fang; Wang, Yan; Zhu, Wencheng; Huang, Yan; Yang, Minghui; Ai, Hua; Lu, Zhiyun","A novel fluorescent pH probe with valuable pKabased on a twisted intramolecular charge transfer mechanism, and its applications in cell imaging","RSC Advances","2014","4","69","36849","","10.1039/C4RA06834C","","","0.71073","MoKα","","0.1325","0.0703","","","0.1944","0.2464","","","","","","1.071","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217880","9.4832","0.0013","11.2471","0.0013","12.8517","0.0011","104.059","0.009","109.087","0.01","97.056","0.01","1225.6","0.3","293.66","0.1","293.66","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Br N O3 P -","- C26 H27 Br N O3 P -","- C52 H54 Br2 N2 O6 P2 -","2","1","","Li, Xi-An; Li, Jia-Yuan; Yang, Bin; Yang, Shang-Dong","Catalyst-free three-component reaction to synthesize chiral α-amino phosphine oxides","RSC Adv.","2014","4","75","39920","","10.1039/C4RA05645K","","","0.71073","MoKα","","0.0848","0.0538","","","0.1105","0.1324","","","","","","1.03","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217901","9.904","0.004","10.633","0.004","13.243","0.005","100.613","0.0015","103.125","0.006","117.338","0.005","1137.4","0.8","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 F3 O4 -","- C27 H23 F3 O4 -","- C54 H46 F6 O8 -","2","1","","Minakawa, Maki; Ishikawa, Tomoki; Namioka, Junya; Hirooka, Souichirou; Zhou, Biao; Kawatsura, Motoi","Iron-catalyzed [2 + 2 + 2] cycloaddition of trifluoromethyl group substituted unsymmetrical internal alkynes","RSC Adv.","2014","4","78","41353","","10.1039/C4RA06973K","","","0.71075","MoKα","","","0.052","","","","0.1539","","","","","","1.099","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217902","31.102","0.01","6.1084","0.0019","21.032","0.007","90","","129.544","0.004","90","","3081.3","1.7","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H35 N2 O4 -","- C36 H35 N2 O4 -","- C144 H140 N8 O16 -","4","1","","Chinnaraja, Duraisamy; Rajalakshmi, Ramarajan","Atom and step economic multicomponent synthesis of highly functionalized novel N-alkyl piperidines: structural elucidation through spectral studies and single crystallographic analysis","RSC Adv.","2014","4","78","41314","","10.1039/C4RA06505K","","","0.71073","MoKα","","0.0575","0.0517","","","0.1374","0.1432","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217903","10.9418","0.0014","10.9774","0.0012","12.3371","0.0013","96.606","0.009","99.89","0.01","103.363","0.01","1401.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 F4 N2 O2 -","- C34 H30 F4 N2 O2 -","- C68 H60 F8 N4 O4 -","2","1","","Chinnaraja, Duraisamy; Rajalakshmi, Ramarajan","Atom and step economic multicomponent synthesis of highly functionalized novel N-alkyl piperidines: structural elucidation through spectral studies and single crystallographic analysis","RSC Adv.","2014","4","78","41314","","10.1039/C4RA06505K","","","0.71073","MoKα","","0.2253","0.0728","","","0.1624","0.2434","","","","","","0.934","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218076","13.918","0.018","11.138","0.014","14.314","0.017","90","","110.04","0.02","90","","2085","5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 O -","- C28 H24 N2 O -","- C112 H96 N8 O4 -","4","1","","Yuan, Zeli; Yang, Xiaoqing; Wang, Lei; Huang, Jiandong; Wei, Gang","Efficient synthesis of new asymmetric tripodal ligands using microwave irradiation, and their crystal structures","RSC Adv.","2014","4","79","42211","","10.1039/C4RA07346K","","","0.71073","MoKα","","0.1417","0.0819","","","0.2291","0.2617","","","","","","0.966","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218077","13.197","0.011","11.102","0.009","14.265","0.012","90","","111.786","0.014","90","","1941","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C96 H88 N8 O4 -","4","1","","Yuan, Zeli; Yang, Xiaoqing; Wang, Lei; Huang, Jiandong; Wei, Gang","Efficient synthesis of new asymmetric tripodal ligands using microwave irradiation, and their crystal structures","RSC Adv.","2014","4","79","42211","","10.1039/C4RA07346K","","","0.71073","MoKα","","0.079","0.0444","","","0.1227","0.1374","","","","","","0.999","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218078","9.929","0.01","12.099","0.012","16.261","0.016","90","","96.512","0.011","90","","1941","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Yuan, Zeli; Yang, Xiaoqing; Wang, Lei; Huang, Jiandong; Wei, Gang","Efficient synthesis of new asymmetric tripodal ligands using microwave irradiation, and their crystal structures","RSC Adv.","2014","4","79","42211","","10.1039/C4RA07346K","","","0.71073","MoKα","","0.0785","0.0513","","","0.141","0.1533","","","","","","0.937","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218150","25.951","0.003","11.8662","0.0014","20.436","0.004","90","","125.847","0.006","90","","5101","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H11 N O8.5 Zn -","- C20 H11 N O8.83 Zn -","- C160 H88 N8 O70.64 Zn8 -","8","1","","Jiang, Xiaoli; Liu, Yanhong; Wu, Pengyan; Wang, Lei; Wang, Qiyuan; Zhu, Guangzhou; Li, Xiu-Ling; Jian, Wang","Metal-organic Framework with 9-Phenylcarbazole Moiety as a Fluorescent Tag for Picric Acid Explosive Detection: Collaborating Electron Transfer, Hydrogen Bonding and Size Matching","RSC Advances","2014","4","88","47357","47360","10.1039/C4RA07067D","","","0.71073","MoKα","","0.1258","0.0775","","","0.2419","0.275","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218175","57.264","0.002","9.8858","0.0002","22.2965","0.0008","90","","93.908","0.003","90","","12592.7","0.7","292","2","292","","","","","","","","","7","C 1 2/n 1","-C 2yac","15","","[N-(2-pyridinyle)diphenylephosphinic amide-kappa-O chlorotriphenyltin(IV)]","","- C35 H30 Cl N2 O P Sn -","- C35 H30 Cl N2 O P Sn -","- C560 H480 Cl16 N32 O16 P16 Sn16 -","16","2","","Gholivand, K.; Gholami, A.; Tizhoush, S. K.; Schenk, K. J.; Fadaei, F.; Bahrami, A.","Steric and electronic control over the structural diversity of N-(n-pyridinyl) diphenylphosphinic amides (n = 2 and 4) as difunctional ligands in triphenyltin(iv) adducts","RSC Adv.","2014","4","84","44509","","10.1039/C4RA06212D","","","0.71073","MoKα","","0.0377","0.0252","","","0.0561","0.0602","","","","","","1.023","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7218176","9.9181","0.0006","14.7686","0.0009","16.9564","0.001","82.955","0.005","81.181","0.005","74.541","0.005","2356.8","0.3","292","2","292","","","","","","","","","7","P -1","-P 1","2","","[N-(4-pyridinyle)diphenylephosphinic amide-kappa-N chlorotriphenyltin(IV)]. N-(4-pyridinyle)diphenylephosphinic amide","","- C52 H45 Cl N4 O2 P2 Sn -","- C52 H45 Cl N4 O2 P2 Sn -","- C104 H90 Cl2 N8 O4 P4 Sn2 -","2","1","","Gholivand, K.; Gholami, A.; Tizhoush, S. K.; Schenk, K. J.; Fadaei, F.; Bahrami, A.","Steric and electronic control over the structural diversity of N-(n-pyridinyl) diphenylphosphinic amides (n = 2 and 4) as difunctional ligands in triphenyltin(iv) adducts","RSC Adv.","2014","4","84","44509","","10.1039/C4RA06212D","","","0.71073","MoKα","","0.0699","0.0491","","","0.1275","0.1557","","","","","","1.048","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218242","16.137","0.005","7.876","0.002","16.214","0.005","90","","108.606","0.004","90","","1953","1","100","2","100","2","","","","","","","Jennifer Hiscock","4","P 1 21 1","P 2yb","4","Compound 6","","","- C18 H35 Cl N2 -","- C18 H35 Cl N2 -","- C72 H140 Cl4 N8 -","4","2","","Hiscock, Jennifer R.; Kirby, Isabelle L.; Herniman, Julie; John Langley, G.; Clark, Alistair J.; Gale, Philip A.","Supramolecular gels for the remediation of reactive organophosphorus compounds","RSC Adv.","2014","4","85","45517","","10.1039/C4RA07712A","","","0.71073","MoKα","","0.0579","0.0532","","","0.115","0.1182","","","","","","1.096","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218243","10.722","0.004","5.2236","0.0016","18.916","0.007","90","","103.548","0.006","90","","1030","0.6","100","2","100","2","","","","","","","Jennifer Hiscock","5","P 1 21 1","P 2yb","4","","compound 5","","- C18 H37 Cl N2 O -","- C18 H37 Cl N2 O -","- C36 H74 Cl2 N4 O2 -","2","1","","Hiscock, Jennifer R.; Kirby, Isabelle L.; Herniman, Julie; John Langley, G.; Clark, Alistair J.; Gale, Philip A.","Supramolecular gels for the remediation of reactive organophosphorus compounds","RSC Adv.","2014","4","85","45517","","10.1039/C4RA07712A","","","0.71075","MoKα","","0.0697","0.0598","","","0.111","0.1192","","","","","","1.118","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218291","8.0107","0.0019","14.519","0.004","17.487","0.004","109.295","0.003","97.629","0.003","103.764","0.003","1814.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H62 Cd2 N2 O20 -","- C90 H62 Cd2 N2 O20 -","- C90 H62 Cd2 N2 O20 -","1","0.5","","Liu, Lin; Zhang, Gong-Ming; Zhu, Ru-Gang; Liu, Yong-Hui; Yao, Hui-Meng; Han, Zheng-Bo","Dinuclear Cd(ii), Mn(ii) and Cu(ii) complexes derived from (anthraquinone-1-diyl) benzoate: DNA binding and cleavage studies","RSC Adv.","2014","4","87","46639","","10.1039/C4RA07997C","","","0.71073","MoKα","","0.0649","0.0514","","","0.14","0.1506","","","","","","1.044","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218292","8.012","0.006","14.559","0.014","17.184","0.014","108.545","0.012","97.46","0.009","103.804","0.009","1799","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H62 Mn2 N2 O20 -","- C90 H62 Mn2 N2 O20 -","- C90 H62 Mn2 N2 O20 -","1","0.5","","Liu, Lin; Zhang, Gong-Ming; Zhu, Ru-Gang; Liu, Yong-Hui; Yao, Hui-Meng; Han, Zheng-Bo","Dinuclear Cd(ii), Mn(ii) and Cu(ii) complexes derived from (anthraquinone-1-diyl) benzoate: DNA binding and cleavage studies","RSC Adv.","2014","4","87","46639","","10.1039/C4RA07997C","","","0.71073","MoKα","","0.0891","0.07","","","0.1899","0.2085","","","","","","0.993","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218293","11.554","0.009","12.053","0.009","15.546","0.011","75.142","0.009","71.824","0.008","86.856","0.009","1987","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H70 Cu2 N2 O20 -","- C94 H70 Cu2 N2 O20 -","- C94 H70 Cu2 N2 O20 -","1","0.5","","Liu, Lin; Zhang, Gong-Ming; Zhu, Ru-Gang; Liu, Yong-Hui; Yao, Hui-Meng; Han, Zheng-Bo","Dinuclear Cd(ii), Mn(ii) and Cu(ii) complexes derived from (anthraquinone-1-diyl) benzoate: DNA binding and cleavage studies","RSC Adv.","2014","4","87","46639","","10.1039/C4RA07997C","","","0.71073","MoKα","","0.0492","0.0403","","","0.1081","0.1152","","","","","","1.005","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218339","7.345","0.003","8.053","0.003","14.531","0.005","91.821","0.006","100.056","0.006","115.273","0.005","759.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 N6 O2 S -","- C13 H18 N6 O2 S -","- C26 H36 N12 O4 S2 -","2","1","","Saha, Rajat; Sengupta, Suman; Dey, Sanjoy Kumar; Steele, Ian M.; Bhattacharyya, Arindam; Biswas, Susobhan; Kumar, Sanjay","A pharmaceutical cocrystal with potential anticancer activity","RSC Adv.","2014","4","90","49070","","10.1039/C4RA03207A","","","0.71073","MoKα","","0.0791","0.0609","","","0.1461","0.1548","","","","","","0.951","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218372","20.1617","0.0012","29.1275","0.0018","13.5247","0.0008","90","","130.048","0.002","90","","6080","0.7","123","","123","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cu F6 I2 N4 P -","- C28 H24 Cu F6 I2 N4 P -","- C224 H192 Cu8 F48 I16 N32 P8 -","8","1","","Malzner, Frederik J.; Brauchli, Sven Y.; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus","Halos show the path to perfection: peripheral iodo-substituents improve the efficiencies of bis(diimine)copper(i) dyes in DSCs","RSC Adv.","2014","4","89","48712","","10.1039/C4RA06823H","","","1.5418","CuKα","","0.0251","0.0251","","0.0263","0.0261","0.0261","","","","","","1.0853","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218381","18.6843","0.0007","18.6843","0.0007","38.6052","0.0012","90","","90","","120","","11671.6","0.7","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C38 H47 Cu2 N5 O16 -","- C26 H14 Cu2 O10 -","- C234 H126 Cu18 O90 -","9","0.25","","Cai, Jianfeng; Lin, Yichao; Yu, Jiancan; Wu, Chuande; Chen, Liang; Cui, Yuanjing; Yang, Yu; Chen, Banglin; Qian, Guodong","A NbO type microporous metal‒organic framework constructed from a naphthalene derived ligand for CH4and C2H2storage at room temperature","RSC Adv.","2014","4","90","49457","","10.1039/C4RA07219G","","","0.71073","MoKα","","0.0586","0.0466","","","0.138","0.145","","","","","","1.057","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218383","8.6702","0.0006","14.5121","0.001","15.1558","0.0011","113.704","0.003","95.764","0.002","95.945","0.003","1715.4","0.2","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H60 Cu4 N8 O22 S4 -","- C64 H60 Cu4 N8 O22 S4 -","- C64 H60 Cu4 N8 O22 S4 -","1","0.5","","Hazra, Susanta; Mukherjee, Sanghamitra; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","A cyclic tetranuclear cuboid type copper(ii) complex doubly supported by cyclohexane-1,4-dicarboxylate: molecular and supramolecular structure and cyclohexane oxidation activity","RSC Adv.","2014","4","89","48449","","10.1039/C4RA06986B","","","0.71069","MoKα","","0.1102","0.0476","","","0.0968","0.1133","","","","","","0.86","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218413","6.5135","0.0013","7.3675","0.001","13.814","0.002","78.153","0.013","76.412","0.016","90.06","0.014","629.78","0.19","297.1","0.3","297.1","0.3","","","","","","","","3","P -1","-P 1","2","","","","- C17 H13 N -","- C17 H13 N -","- C34 H26 N2 -","2","1","","Yan, Rulong; Zhou, Xiaoqiang; Li, Ming; Li, Xiaoni; Kang, Xing; Liu, Xingxing; Huo, Xing; Huang, Guosheng","Metal-free synthesis of substituted pyridines from aldehydes and NH4OAc under air","RSC Adv.","2014","4","92","50369","","10.1039/C4RA10880A","","","0.7107","MoKα","","0.1594","0.0948","","","0.2805","0.3187","","","","","","1.019","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218506","8.085","0.003","9.738","0.003","10.671","0.004","78.516","0.009","83.189","0.009","68.866","0.009","766.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N3 O4 S -","- C15 H16 N3 O4 S -","- C30 H32 N6 O8 S2 -","2","1","","Dey, Swapan; Sain, Dibyendu; Kumar, Ashish; Kumari, Chanda","A series of ditopic receptors for succinic acid binding","RSC Adv.","2014","4","93","51486","","10.1039/C4RA07537D","","","0.71073","MoKα","","0.0665","0.0537","","","0.155","0.1646","","","","","","1.079","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218532","10.7923","0.0002","7.50518","0.00016","24.2322","0.0004","90","","92.1594","0.0019","90","","1961.37","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N4 O5 S -","- C20 H20 N4 O5 S -","- C80 H80 N16 O20 S4 -","4","1","","Pankova, Alena S.; Samartsev, Mikhail A.; Shulgin, Igor A.; Golubev, Pavel R.; Avdontceva, Margarita S.; Kuznetsov, Mikhail A.","Synthesis of thiazolidines via regioselective addition of unsymmetric thioureas to maleic acid derivatives","RSC Adv.","2014","4","93","51780","","10.1039/C4RA07840C","","","0.71073","MoKα","","0.0492","0.0384","","","0.0848","0.0895","","","","","","1.049","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218533","5.30469","0.00013","12.5053","0.0003","14.6627","0.0003","71.1056","0.0019","83.182","0.0019","86.6139","0.0018","913.54","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N3 O2 S -","- C20 H21 N3 O2 S -","- C40 H42 N6 O4 S2 -","2","1","","Pankova, Alena S.; Samartsev, Mikhail A.; Shulgin, Igor A.; Golubev, Pavel R.; Avdontceva, Margarita S.; Kuznetsov, Mikhail A.","Synthesis of thiazolidines via regioselective addition of unsymmetric thioureas to maleic acid derivatives","RSC Adv.","2014","4","93","51780","","10.1039/C4RA07840C","","","1.54184","CuKα","","0.038","0.0356","","","0.0925","0.0939","","","","","","0.932","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218534","18.7677","0.0008","11.1216","0.0004","35.516","0.002","90","","90","","90","","7413.1","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N3 O2 S -","- C20 H21 N3 O2 S -","- C320 H336 N48 O32 S16 -","16","2","","Pankova, Alena S.; Samartsev, Mikhail A.; Shulgin, Igor A.; Golubev, Pavel R.; Avdontceva, Margarita S.; Kuznetsov, Mikhail A.","Synthesis of thiazolidines via regioselective addition of unsymmetric thioureas to maleic acid derivatives","RSC Adv.","2014","4","93","51780","","10.1039/C4RA07840C","","","1.54184","CuKα","","0.1102","0.0737","","","0.1812","0.214","","","","","","0.99","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218585","14.3378","0.0002","16.5494","0.0003","19.591","0.0003","90","","95.898","0.001","90","","4623.98","0.13","293","2","293","2","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H47 Cl N4 O3 P2 Ru S -","- C49 H40 Cl N3 O2 P2 Ru S -","- C196 H160 Cl4 N12 O8 P8 Ru4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Natarajan, K.","Photophysical properties and in vitro cytotoxicity studies of new Ru(ii) carbonyl complexes and mixed geometrical Ru(ii)‒Ni(ii) complex in HS-DNA/BSA protein and human lung (A549) and liver (HepG2) cells","RSC Adv.","2014","4","94","51850","","10.1039/C4RA08492F","","x-ray","0.71073","MoKα","","0.0985","0.0535","","","0.1348","0.1476","","","","","","0.987","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218586","22.4615","0.0003","22.8701","0.0004","24.3408","0.0004","90","","90","","90","","12503.8","0.3","293","2","293","2","","","","","","","synthesis as described","9","I b a 2","I 2 -2c","45","","","","- C67 H55 Cl N3 Ni O3 P3 Ru S -","- C67 H53 Cl N3 Ni O3 P3 Ru S -","- C536 H424 Cl8 N24 Ni8 O24 P24 Ru8 S8 -","8","1","","Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Natarajan, K.","Photophysical properties and in vitro cytotoxicity studies of new Ru(ii) carbonyl complexes and mixed geometrical Ru(ii)‒Ni(ii) complex in HS-DNA/BSA protein and human lung (A549) and liver (HepG2) cells","RSC Adv.","2014","4","94","51850","","10.1039/C4RA08492F","","x-ray","0.71073","MoKα","","0.1911","0.083","","","0.1427","0.172","","","","","","0.988","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218587","14.3713","0.0002","16.5083","0.0003","19.6494","0.0003","90","","96.112","0.001","90","","4635.24","0.13","293","2","293","2","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 Cl3 N3 O2 P2 Ru S -","- C50 H42 Cl3 N3 O2 P2 Ru S -","- C200 H168 Cl12 N12 O8 P8 Ru4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Natarajan, K.","Photophysical properties and in vitro cytotoxicity studies of new Ru(ii) carbonyl complexes and mixed geometrical Ru(ii)–Ni(ii) complex in HS-DNA/BSA protein and human lung (A549) and liver (HepG2) cells","RSC Adv.","2014","4","94","51850","","10.1039/C4RA08492F","","x-ray","0.71073","MoKα","","0.0995","0.0506","","","0.1051","0.1189","","","","","","1.039","","","","has coordinates,has disorder","301864","2025-08-22","15:14:37",""
"7218589","8.5845","0.0003","10.8223","0.0003","12.5073","0.0004","84.207","0.002","72.287","0.002","75.18","0.002","1069.73","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 N5 O S -","- C21 H25 N5 O S -","- C42 H50 N10 O2 S2 -","2","1","","Sarkar, Satavisha; Das, Deb K.; Khan, Abu T.","Synthesis of fully-substituted pyridines and dihydropyridines in a highly chemoselective manner utilizing a multicomponent reaction (MCR) strategy","RSC Adv.","2014","4","96","53752","","10.1039/C4RA08237K","","","0.71073","MoKα","","0.0952","0.0772","","","0.2353","0.2513","","","","","","1.086","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218590","12.968","0.002","10.2902","0.0018","13.385","0.002","90","","98.889","0.012","90","","1764.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Cl N5 -","- C20 H16 Cl N5 -","- C80 H64 Cl4 N20 -","4","1","","Sarkar, Satavisha; Das, Deb K.; Khan, Abu T.","Synthesis of fully-substituted pyridines and dihydropyridines in a highly chemoselective manner utilizing a multicomponent reaction (MCR) strategy","RSC Adv.","2014","4","96","53752","","10.1039/C4RA08237K","","","0.71073","MoKα","","0.1914","0.1537","","","0.3668","0.3821","","","","","","1.01","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218594","10.2877","0.0005","10.7888","0.0005","16.6377","0.0007","90","","90","","90","","1846.65","0.15","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Dy4 H10 O23 S4 -","- Dy4 H4 O23 S4 -","- Dy16 H16 O92 S16 -","4","1","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Ferromagnetically coupled chiral dysprosium hydroxysulfate and centrosymmetric dysprosium hydroxysulfate-oxalate: Dy4(OH)4cubane based high-connected networks via in situ conversion of organosulfur to sulfate","RSC Adv.","2014","4","96","53954","","10.1039/C4RA07436J","","","0.71073","MoKα","","0.0189","0.0186","","","0.0521","0.0523","","","","","","0.92","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218595","9.4145","0.0008","14.6978","0.0012","15.2089","0.0013","90","","90","","90","","2104.5","0.3","298","2","298","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C2 H16 Dy4 O26 S3 -","- C2 H4 Dy4 O26 S3 -","- C8 H16 Dy16 O104 S12 -","4","0.5","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Ferromagnetically coupled chiral dysprosium hydroxysulfate and centrosymmetric dysprosium hydroxysulfate-oxalate: Dy4(OH)4cubane based high-connected networks via in situ conversion of organosulfur to sulfate","RSC Adv.","2014","4","96","53954","","10.1039/C4RA07436J","","","0.71073","MoKα","","0.0424","0.0384","","","0.1131","0.1178","","","","","","1.078","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218618","15.852","0.005","6.0728","0.0013","17.75","0.005","90","","114.655","0.009","90","","1552.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Thottiparambil, Abhineeshbabu; Anil Kumar, P. R.; Chakkumkumarath, Lakshmi","Styrylcyanine-based ratiometric and tunable fluorescent pH sensors","RSC Adv.","2014","4","99","56063","","10.1039/C4RA10959G","","","0.71073","MoKα","","0.0862","0.0529","","","0.1432","0.1731","","","","","","1.076","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218619","16.299","0.002","5.7664","0.0006","16.537","0.002","90","","92.692","0.005","90","","1552.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Thottiparambil, Abhineeshbabu; Anil Kumar, P. R.; Chakkumkumarath, Lakshmi","Styrylcyanine-based ratiometric and tunable fluorescent pH sensors","RSC Adv.","2014","4","99","56063","","10.1039/C4RA10959G","","","0.71073","MoKα","","0.0849","0.0491","","","0.127","0.1602","","","","","","1.048","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218631","8.808","0.004","19.723","0.008","9.339","0.004","90","","102.983","0.01","90","","1580.9","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl N2 O2 -","- C19 H13 Cl N2 O2 -","- C76 H52 Cl4 N8 O8 -","4","1","","Ganguly, Nemai C.; Mondal, Pallab; Roy, Sushmita; Mitra, Partha","Ligand-free copper-catalyzed efficient one-pot access of benzo[b]pyrido[3,2-f][1,4]oxazepinones through O-heteroarylation-Smiles rearrangement-cyclization cascade","RSC Adv.","2014","4","98","55640","","10.1039/C4RA11128A","","","0.71073","MoKα","","0.1278","0.1094","","","0.2726","0.3073","","","","","","1.245","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218632","7.983","0.002","8.944","0.003","10.904","0.003","101.512","0.005","95.264","0.006","101.942","0.005","739.2","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C38 H28 N4 O4 -","2","1","","Ganguly, Nemai C.; Mondal, Pallab; Roy, Sushmita; Mitra, Partha","Ligand-free copper-catalyzed efficient one-pot access of benzo[b]pyrido[3,2-f][1,4]oxazepinones through O-heteroarylation-Smiles rearrangement-cyclization cascade","RSC Adv.","2014","4","98","55640","","10.1039/C4RA11128A","","","0.71073","MoKα","","0.0737","0.0698","","","0.2062","0.2157","","","","","","0.924","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218652","13.404","0.0004","25.1954","0.0006","12.1027","0.0004","90","","101.642","0.003","90","","4003.2","0.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H7 F3 O4 S -","- C14 H7 F3 O4 S -","- C168 H84 F36 O48 S12 -","12","3","","Anamimoghadam, Ommid; Long, De-Liang; Bucher, Götz","9-Iodophenalenone and 9-trifluoromethanesulfonyloxyphenalenone: convenient entry points to new phenalenones functionalised at the 9-position. Iodine-carbonyl interaction studies by X-ray crystallography","RSC Adv.","2014","4","100","56654","","10.1039/C4RA00178H","","","0.71073","MoKα","","0.0596","0.0417","","","0.078","0.0876","","","","","","1.058","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218653","23.961","0.005","23.211","0.005","6.8908","0.0016","90","","90","","90","","3832.4","1.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20.5 H15 F3 N O4.5 S -","- C20.5 H15 F3 N O4.5 S -","- C164 H120 F24 N8 O36 S8 -","8","2","","Anamimoghadam, Ommid; Long, De-Liang; Bucher, Götz","9-Iodophenalenone and 9-trifluoromethanesulfonyloxyphenalenone: convenient entry points to new phenalenones functionalised at the 9-position. Iodine-carbonyl interaction studies by X-ray crystallography","RSC Adv.","2014","4","100","56654","","10.1039/C4RA00178H","","","0.71073","MoKα","","0.2125","0.0736","","","0.1198","0.1668","","","","","","0.997","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218654","12.8997","0.0018","12.184","0.002","13.1411","0.0013","90","","101.649","0.01","90","","2022.8","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 I O -","- C13 H7 I O -","- C104 H56 I8 O8 -","8","1","","Anamimoghadam, Ommid; Long, De-Liang; Bucher, Götz","9-Iodophenalenone and 9-trifluoromethanesulfonyloxyphenalenone: convenient entry points to new phenalenones functionalised at the 9-position. Iodine-carbonyl interaction studies by X-ray crystallography","RSC Adv.","2014","4","100","56654","","10.1039/C4RA00178H","","","0.71073","MoKα","","0.0464","0.0338","","","0.0652","0.0712","","","","","","1.122","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218655","7.5727","0.0009","8.2341","0.0009","14.4327","0.0019","100.949","0.01","96.44","0.01","94.028","0.009","874.11","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 N O -","- C13 H5 N O -","- C52 H20 N4 O4 -","4","2","","Anamimoghadam, Ommid; Long, De-Liang; Bucher, Götz","9-Iodophenalenone and 9-trifluoromethanesulfonyloxyphenalenone: convenient entry points to new phenalenones functionalised at the 9-position. Iodine-carbonyl interaction studies by X-ray crystallography","RSC Adv.","2014","4","100","56654","","10.1039/C4RA00178H","","","0.71073","MoKα","","0.1768","0.0976","","","0.28","0.3178","","","","","","1.078","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218724","21.7935","0.0006","4.37356","0.00011","26.8772","0.0007","90","","94.408","0.007","90","","2554.23","0.12","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 F7 N3 -","- C14 H6 F7 N3 -","- C112 H48 F56 N24 -","8","2","","Biradar, Siddanagouda; Shigemitsu, Yasuhiro; Kubota, Yasuhiro; Funabiki, Kazumasa; Sato, Hiroyasu; Matsui, Masaki","Effects of the alkyl group in (dialkylamino)perfluorophenazines on the melting point and fluorescence properties","RSC Adv.","2014","4","103","59387","","10.1039/C4RA09342A","","","1.54187","CuKα","","","0.0542","","","","0.1728","","","","","","1.1","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218725","5.5096","0.0009","16.029","0.003","25.975","0.004","89.46","0.006","84.761","0.006","87.863","0.006","2282.7","0.7","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H74 F7 N3 -","- C48 H74 F7 N3 -","- C96 H148 F14 N6 -","2","1","","Biradar, Siddanagouda; Shigemitsu, Yasuhiro; Kubota, Yasuhiro; Funabiki, Kazumasa; Sato, Hiroyasu; Matsui, Masaki","Effects of the alkyl group in (dialkylamino)perfluorophenazines on the melting point and fluorescence properties","RSC Adv.","2014","4","103","59387","","10.1039/C4RA09342A","","","1.54187","CuKα","","","0.0939","","","","0.2985","","","","","","0.919","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218751","14.837","0.0004","17.288","0.0005","16.748","0.0005","90","","93.66","0.001","90","","4287.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 La N11 O29 -","- C28 H36 La N11 O29 -","- C112 H144 La4 N44 O116 -","4","1","","Kumar, Rakesh; Obrai, Sangeeta; Kaur Jassal, Amanpreet; Hundal, Maninder Singh","Supramolecular architectures of N,N,N′,N′-tetrakis-(2-hydroxyethyl)ethylenediamine and tris(2-hydroxyethyl)amine with La(iii) picrate","RSC Adv.","2014","4","103","59248","","10.1039/C4RA05835F","","","0.71069","MoKα","","0.0683","0.0443","","","0.1047","0.1171","","","","","","1.072","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218752","11.481","0.003","27.028","0.008","14.742","0.004","90","","111.433","0.013","90","","4258","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 La N11 O29 -","- C30 H40 La N11 O29 -","- C120 H160 La4 N44 O116 -","4","0.5","","Kumar, Rakesh; Obrai, Sangeeta; Kaur Jassal, Amanpreet; Hundal, Maninder Singh","Supramolecular architectures of N,N,N′,N′-tetrakis-(2-hydroxyethyl)ethylenediamine and tris(2-hydroxyethyl)amine with La(iii) picrate","RSC Adv.","2014","4","103","59248","","10.1039/C4RA05835F","","","0.71069","MoKα","","0.0435","0.0313","","","0.0761","0.0839","","","","","","1.037","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218753","23.93","0.0005","8.455","0.0002","14.105","0.0003","90","","98.319","0.0009","90","","2823.81","0.11","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 N8 O18 -","- C22 H30 N8 O18 -","- C88 H120 N32 O72 -","4","0.5","","Kumar, Rakesh; Obrai, Sangeeta; Kaur Jassal, Amanpreet; Hundal, Maninder Singh","Supramolecular architectures of N,N,N′,N′-tetrakis-(2-hydroxyethyl)ethylenediamine and tris(2-hydroxyethyl)amine with La(iii) picrate","RSC Adv.","2014","4","103","59248","","10.1039/C4RA05835F","","","0.71069","MoKα","","0.0714","0.0554","","","0.1638","0.1789","","","","","","1.046","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218754","13.443","0.0004","8.389","0.0002","14.84","0.0004","90","","94.846","0.0014","90","","1667.57","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N4 O10 -","- C12 H18 N4 O10 -","- C48 H72 N16 O40 -","4","1","","Kumar, Rakesh; Obrai, Sangeeta; Kaur Jassal, Amanpreet; Hundal, Maninder Singh","Supramolecular architectures of N,N,N′,N′-tetrakis-(2-hydroxyethyl)ethylenediamine and tris(2-hydroxyethyl)amine with La(iii) picrate","RSC Adv.","2014","4","103","59248","","10.1039/C4RA05835F","","","0.71069","MoKα","","0.087","0.0527","","","0.1295","0.1499","","","","","","1.014","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218778","10.3204","0.0003","10.7781","0.0002","22.4546","0.0007","90","","103.112","0.003","90","","2432.6","0.12","180","","180","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(7-benzyl-5-chloro-4-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N-methyl-2-nitrobenzenesulfonamide","","- C26 H20 Cl N5 O4 S -","- C26 H20 Cl N5 O4 S -","- C104 H80 Cl4 N20 O16 S4 -","4","1","","Sabat, Nazarii; Klečka, Martin; Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","Direct C–H amination and C–H chloroamination of 7-deazapurines","RSC Adv.","2014","4","107","62140","","10.1039/C4RA13143F","","x-ray","1.5418","CuKα","","0.0377","0.0346","","0.0397","0.0391","0.0391","","","","","","1.0325","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218779","8.0254","0.0002","8.5175","0.0002","16.5553","0.0004","76.069","0.002","76.692","0.002","76.024","0.002","1047.93","0.05","290","","290","","","","","","","","","5","P -1","-P 1","2","","N-(7-benzyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N-methyl-2-nitrobenzenesulfonamide","","- C21 H19 N5 O5 S -","- C21 H19 N5 O5 S -","- C42 H38 N10 O10 S2 -","2","1","","Sabat, Nazarii; Klečka, Martin; Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","Direct C–H amination and C–H chloroamination of 7-deazapurines","RSC Adv.","2014","4","107","62140","","10.1039/C4RA13143F","","x-ray","1.54184","CuKα","","0.0392","0.0361","","0.043","0.0419","0.0419","","","","","","0.8205","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218780","20.7725","0.0004","10.3703","0.0003","22.3779","0.0005","90","","104.039","0.002","90","","4676.6","0.2","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(7-benzyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N,4-dimethylbenzenesulfonamide","","- C27 H24 N4 O2 S -","- C27 H24 N4 O2 S -","- C216 H192 N32 O16 S8 -","8","1","","Sabat, Nazarii; Klečka, Martin; Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","Direct C–H amination and C–H chloroamination of 7-deazapurines","RSC Adv.","2014","4","107","62140","","10.1039/C4RA13143F","","x-ray","1.54184","CuKα","","0.0606","0.0431","","0.0555","0.0449","0.0449","","","","","","1.1094","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218781","12.8359","0.0002","14.6425","0.0002","16.3039","0.0003","81.5862","0.0013","70.0238","0.0015","67.3666","0.0015","2657.76","0.08","180","","180","","","","","","","","","5","P -1","-P 1","2","","N-(7-benzyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N-methyl-2-nitrobenzenesulfonamide","","- C26 H21 N5 O4 S -","- C26 H21 N5 O4 S -","- C104 H84 N20 O16 S4 -","4","2","","Sabat, Nazarii; Klečka, Martin; Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","Direct C–H amination and C–H chloroamination of 7-deazapurines","RSC Adv.","2014","4","107","62140","","10.1039/C4RA13143F","","x-ray","1.54184","CuKα","","0.0463","0.0438","","0.0404","0.0398","0.0395","","","","","","0.9677","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218782","8.4183","0.0014","12.2957","0.0019","9.3671","0.0016","90","","97.016","0.006","90","","962.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-benzyl-3-hydroxy-3-(2-hydroxy-4,5-dimethoxyphenyl)indolin-2-one","","- C23 H21 N O5 -","- C23 H21 N O5 -","- C46 H42 N2 O10 -","2","1","","Kaur, Jasneet; Kumar, Akshay; Chimni, Swapandeep Singh","Cinchonidine thiourea catalyzed asymmetric addition of phenols to oxindole derivatives","RSC Adv.","2014","4","107","62367","","10.1039/C4RA09805F","","","0.71073","MoKα","","0.0379","0.0363","","","0.0951","0.0965","","","","","","1.02","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218783","10.8509","0.0005","11.166","0.0007","12.6776","0.0007","107.269","0.005","95.042","0.004","115.812","0.005","1277.63","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H40 Cu5 N4 O23 -","- C52 H34 Cu5 N4 O23 -","- C52 H34 Cu5 N4 O23 -","1","0.5","","Qiao, Jin-Zhong; Zhan, Mao-Sheng; Hu, Tuo-Ping","Syntheses, crystal structures, photoluminescent/magnetic properties of four new coordination polymers based on 2,3′,4,5′-biphenyltetracarboxylic acid","RSC Adv.","2014","4","107","62285","","10.1039/C4RA09505G","","","1.54184","CuKα","","0.0527","0.0416","","","0.1127","0.1219","","","","","","1.054","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218784","13.757","0.003","20.753","0.005","7.86","0.0019","90","","91.66","0.005","90","","2243.1","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cu2 O16 -","- C16 H17 Cu2 O16 -","- C64 H68 Cu8 O64 -","4","1","","Qiao, Jin-Zhong; Zhan, Mao-Sheng; Hu, Tuo-Ping","Syntheses, crystal structures, photoluminescent/magnetic properties of four new coordination polymers based on 2,3′,4,5′-biphenyltetracarboxylic acid","RSC Adv.","2014","4","107","62285","","10.1039/C4RA09505G","","","0.71073","MoKα","","0.085","0.0471","","","0.1037","0.1187","","","","","","0.995","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218785","7.373","0.0004","13.0724","0.0007","13.857","0.0008","100.721","0.005","101.817","0.005","98.064","0.005","1262.17","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 Co3 N4 O30 -","- C44 H48 Co3 N4 O30 -","- C44 H48 Co3 N4 O30 -","1","0.5","","Qiao, Jin-Zhong; Zhan, Mao-Sheng; Hu, Tuo-Ping","Syntheses, crystal structures, photoluminescent/magnetic properties of four new coordination polymers based on 2,3′,4,5′-biphenyltetracarboxylic acid","RSC Adv.","2014","4","107","62285","","10.1039/C4RA09505G","","","0.71073","MoKα","","0.0855","0.0626","","","0.1581","0.1779","","","","","","1.021","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218786","22.128","0.0009","14.5817","0.0004","28.083","0.0012","90","","116.316","0.005","90","","8122.3","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H41 N6 Ni2 O18 -","- C34 H39 N6 Ni2 O18 -","- C272 H312 N48 Ni16 O144 -","8","1","","Qiao, Jin-Zhong; Zhan, Mao-Sheng; Hu, Tuo-Ping","Syntheses, crystal structures, photoluminescent/magnetic properties of four new coordination polymers based on 2,3′,4,5′-biphenyltetracarboxylic acid","RSC Adv.","2014","4","107","62285","","10.1039/C4RA09505G","","","0.71","MoKα","","0.0836","0.0533","","","0.1277","0.1494","","","","","","1.042","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218787","7.05","0.003","21.06","0.009","13.409","0.007","90","","104.882","0.008","90","","1924.1","1.5","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Pt(bpy){NH=C(pz)NC(Me)=NH}]PF6","","- C16 H16 F6 N7 P Pt -","- C16 H16 F6 N7 P Pt -","- C64 H64 F24 N28 P4 Pt4 -","4","1","","Tanaka, Tomohiro; Nouchi, Rie; Nakao, Yoshihide; Arikawa, Yasuhiro; Umakoshi, Keisuke","Highly luminescent imidoylamidinato platinum(ii) complexes formed by the coupling of 1H-pyrazole-1-carboxamidine with nitriles used as reaction solvents","RSC Adv.","2014","4","107","62186","","10.1039/C4RA11744A","","","0.71075","MoKα","","","0.0326","","","","0.0749","","","","","","0.971","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218788","8.173","0.005","16.645","0.009","14.314","0.007","90","","105.822","0.009","90","","1873.5","1.8","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Pt(bpy){NH=C(pz)NC(Et)=NH}]BF4","","- C17 H18 B F4 N7 Pt -","- C17 H18 B F4 N7 Pt -","- C68 H72 B4 F16 N28 Pt4 -","4","1","","Tanaka, Tomohiro; Nouchi, Rie; Nakao, Yoshihide; Arikawa, Yasuhiro; Umakoshi, Keisuke","Highly luminescent imidoylamidinato platinum(ii) complexes formed by the coupling of 1H-pyrazole-1-carboxamidine with nitriles used as reaction solvents","RSC Adv.","2014","4","107","62186","","10.1039/C4RA11744A","","","0.71075","MoKα","","","0.0328","","","","0.0559","","","","","","1.041","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218789","7.5855","0.0015","13.848","0.003","20.627","0.004","90","","94.433","0.003","90","","2160.3","0.8","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Pt(bpy){NH=C(pz)NC(Ph)=NH}]BF4","","- C21 H18 B F4 N7 Pt -","- C21 H18 B F4 N7 Pt -","- C84 H72 B4 F16 N28 Pt4 -","4","1","","Tanaka, Tomohiro; Nouchi, Rie; Nakao, Yoshihide; Arikawa, Yasuhiro; Umakoshi, Keisuke","Highly luminescent imidoylamidinato platinum(ii) complexes formed by the coupling of 1H-pyrazole-1-carboxamidine with nitriles used as reaction solvents","RSC Adv.","2014","4","107","62186","","10.1039/C4RA11744A","","","0.71075","MoKα","","","0.0426","","","","0.0972","","","","","","1.128","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218790","7.6686","0.0018","21.278","0.005","13.326","0.004","90","","90.037","0.005","90","","2174.4","1","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Pt(bpy){NH=C(pz)NC(Ph)=NH}]BF4.H2O","","- C21 H20 B F4 N7 O Pt -","- C21 H18 B F4 N7 O Pt -","- C84 H72 B4 F16 N28 O4 Pt4 -","4","1","","Tanaka, Tomohiro; Nouchi, Rie; Nakao, Yoshihide; Arikawa, Yasuhiro; Umakoshi, Keisuke","Highly luminescent imidoylamidinato platinum(ii) complexes formed by the coupling of 1H-pyrazole-1-carboxamidine with nitriles used as reaction solvents","RSC Adv.","2014","4","107","62186","","10.1039/C4RA11744A","","","0.71075","MoKα","","","0.0322","","","","0.0692","","","","","","1.056","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218820","7.12371","0.0001","11.92092","0.00016","38.3027","0.0006","90","","90","","90","","3252.71","0.08","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 N2 O6 -","- C38 H42 N2 O6 -","- C152 H168 N8 O24 -","4","1","","Zhou, Zhengzheng; Tong, Henry H. Y.; Li, Liang; Shek, Fanny L. Y.; Lv, Yang; Zheng, Ying","Synthesis, crystal structures and phase transformation of the new solid-state forms of tetrandrine","RSC Adv.","2014","4","107","62586","","10.1039/C4RA10457A","","","1.54178","CuKα","","0.0358","0.0323","","","0.0773","0.0797","","","","","","1.081","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218821","9.70383","0.0001","15.06419","0.00015","26.1648","0.0003","90","","90","","90","","3824.78","0.07","150.01","0.1","150.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 N4 O6 -","- C42 H48 N4 O6 -","- C168 H192 N16 O24 -","4","1","","Zhou, Zhengzheng; Tong, Henry H. Y.; Li, Liang; Shek, Fanny L. Y.; Lv, Yang; Zheng, Ying","Synthesis, crystal structures and phase transformation of the new solid-state forms of tetrandrine","RSC Adv.","2014","4","107","62586","","10.1039/C4RA10457A","","","1.54178","CuKα","","0.0358","0.0333","","","0.0844","0.0868","","","","","","1.048","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218822","18.7432","0.0005","9.9123","0.0003","19.341","0.0006","90","","93.296","0.003","90","","3587.39","0.18","100","10","100","10","","","","","","","","4","P 1","P 1","1","","","","- C82 H95 N4 O14 -","- C41 H47.5 N2 O7 -","- C82 H95 N4 O14 -","2","2","","Zhou, Zhengzheng; Tong, Henry H. Y.; Li, Liang; Shek, Fanny L. Y.; Lv, Yang; Zheng, Ying","Synthesis, crystal structures and phase transformation of the new solid-state forms of tetrandrine","RSC Adv.","2014","4","107","62586","","10.1039/C4RA10457A","","","1.54184","CuKα","","0.0498","0.0433","","","0.1105","0.1171","","","","","","1.033","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218830","21.0444","0.001","12.4275","0.0005","15.2824","0.0007","90","","114.665","0.002","90","","3632.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[2a]I2","","- C36 H36 I2 N8 O4 -","- C36 H36 I2 N8 O4 -","- C144 H144 I8 N32 O16 -","4","0.5","","Chen, Ying-Hsuan; Peng, Kai-En; Lee, Gene-Hsiang; Peng, Shie-Ming; Chiu, Ching-Wen","Symmetrical non-chelating poly-N-heterocyclic carbenes","RSC Adv.","2014","4","107","62789","","10.1039/C4RA12597E","","","0.71073","MoKα","","0.0659","0.0377","","","0.0802","0.0968","","","","","","1.076","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218831","9.0998","0.0003","24.2692","0.0007","11.5148","0.0004","90","","109.274","0.0013","90","","2400.45","0.14","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2a-(NiCpI)2","","- C44 H40 Cl6 I2 N6 Ni2 O4 -","- C44 H40 Cl6 I2 N6 Ni2 O4 -","- C88 H80 Cl12 I4 N12 Ni4 O8 -","2","0.5","","Chen, Ying-Hsuan; Peng, Kai-En; Lee, Gene-Hsiang; Peng, Shie-Ming; Chiu, Ching-Wen","Symmetrical non-chelating poly-N-heterocyclic carbenes","RSC Adv.","2014","4","107","62789","","10.1039/C4RA12597E","","","0.71073","MoKα","","0.169","0.1254","","","0.3282","0.347","","","","","","1.333","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218832","14.4332","0.001","8.5362","0.0006","15.4137","0.0011","90","","100.356","0.002","90","","1868.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[5]I","","- C19 H18 I N3 O2 -","- C19 H18 I N3 O2 -","- C76 H72 I4 N12 O8 -","4","1","","Chen, Ying-Hsuan; Peng, Kai-En; Lee, Gene-Hsiang; Peng, Shie-Ming; Chiu, Ching-Wen","Symmetrical non-chelating poly-N-heterocyclic carbenes","RSC Adv.","2014","4","107","62789","","10.1039/C4RA12597E","","","0.71073","MoKα","","0.0473","0.0396","","","0.0955","0.1068","","","","","","1.216","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218834","7.46","0.003","9.046","0.004","9.952","0.004","83.312","0.005","72.451","0.008","87.187","0.008","635.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Ag Cl N3 -","- C13 H11 Ag Cl N3 -","- C26 H22 Ag2 Cl2 N6 -","2","1","","Dinda, Joydev; Nandy, Abhishek; Rana, Bidyut Kumar; Bertolasi, Valerio; Saha, Krishna Das; Bielawski, Christopher W.","Cytotoxicity of silver(i), gold(i) and gold(iii) complexes of a pyridine wingtip substituted annelated N-heterocyclic carbene","RSC Adv.","2014","4","105","60776","","10.1039/C4RA09591J","","","0.71073","MoKα","","0.0291","0.0275","","","0.0784","0.0796","","","","","","1.068","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7218850","13.026","0.003","25.015","0.005","16.358","0.004","90","","92.574","0.004","90","","5325","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H120 F18 N8 O10 -","- C96 H120 F18 N8 O10 -","- C192 H240 F36 N16 O20 -","2","0.5","","Chakraborty, Sourav; Dutta, Ranjan; Wong, Bryan M.; Ghosh, Pradyut","Anion directed conformational diversities of an arene based hexa-amide receptor and recognition of the [F4(H2O)6]4−cluster","RSC Adv.","2014","4","107","62689","","10.1039/C4RA10795K","","","0.71073","MoKα","","0.0891","0.0793","","","0.2323","0.2382","","","","","","1.037","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218851","18.729","0.003","31.942","0.003","26.316","0.003","90","","101.03","0.005","90","","15453","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H71 F19 N8 O10 -","- C75.63 H64 F17.37 N8 O9 -","- C605.04 H512 F138.96 N64 O72 -","8","1","","Chakraborty, Sourav; Dutta, Ranjan; Wong, Bryan M.; Ghosh, Pradyut","Anion directed conformational diversities of an arene based hexa-amide receptor and recognition of the [F4(H2O)6]4−cluster","RSC Adv.","2014","4","107","62689","","10.1039/C4RA10795K","","","0.71073","MoKα","","0.1225","0.0923","","","0.2731","0.3043","","","","","","1.207","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218852","19.984","0.002","21.583","0.002","31.956","0.003","90","","104.776","0.003","90","","13327","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H135 F20 N8 O17 -","- C104 H137 F20 N8 O17 -","- C416 H548 F80 N32 O68 -","4","1","","Chakraborty, Sourav; Dutta, Ranjan; Wong, Bryan M.; Ghosh, Pradyut","Anion directed conformational diversities of an arene based hexa-amide receptor and recognition of the [F4(H2O)6]4−cluster","RSC Adv.","2014","4","107","62689","","10.1039/C4RA10795K","","","0.71073","MoKα","","0.12","0.0999","","","0.2778","0.2919","","","","","","1.043","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218853","10.968","0.004","13.856","0.005","14.25","0.005","76.125","0.011","73.854","0.011","81.532","0.012","2011.9","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H66 F18 N6 O12 -","- C72 H66 F18 N6 O12 -","- C72 H66 F18 N6 O12 -","1","0.5","","Chakraborty, Sourav; Dutta, Ranjan; Wong, Bryan M.; Ghosh, Pradyut","Anion directed conformational diversities of an arene based hexa-amide receptor and recognition of the [F4(H2O)6]4−cluster","RSC Adv.","2014","4","107","62689","","10.1039/C4RA10795K","","","0.71073","MoKα","","0.0828","0.0604","","","0.1978","0.2209","","","","","","0.854","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218860","12.154","0.002","7.8731","0.0012","13.359","0.002","90","","99.134","0.005","90","","1262.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","ak_399","","- C24 H31 N3 O8 -","- C24 H31 N3 O8 -","- C48 H62 N6 O16 -","2","1","","Kayet, Anirban; Datta, Dhrubajyoti; Kumar, Ganesh; Ghosh, Anindya Sundar; Pathak, Tanmaya","Templating effect of 1,5-disubstituted 1,2,3-triazole-linked disaccharides on size, shape and antibacterial activity of silver nanoparticles","RSC Adv.","2014","4","108","63036","","10.1039/C4RA11769G","","","0.71073","MoKα","","0.0821","0.0419","","","0.0737","0.0865","","","","","","1.008","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218861","5.9472","0.0007","8.8261","0.0011","12.2179","0.0015","87.74","0.004","87.485","0.004","77.734","0.004","625.78","0.13","293","2","293","2","","","","","","","","4","P 1","P 1","1","","ak_685","","- C24 H31 N3 O8 -","- C24 H31 N3 O8 -","- C24 H31 N3 O8 -","1","1","","Kayet, Anirban; Datta, Dhrubajyoti; Kumar, Ganesh; Ghosh, Anindya Sundar; Pathak, Tanmaya","Templating effect of 1,5-disubstituted 1,2,3-triazole-linked disaccharides on size, shape and antibacterial activity of silver nanoparticles","RSC Adv.","2014","4","108","63036","","10.1039/C4RA11769G","","","0.71073","MoKα","","0.1251","0.0549","","","0.1002","0.1275","","","","","","0.937","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218876","11.598","0.002","12.442","0.003","19.597","0.006","90","","122.44","0.02","90","","2386.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N3 O4 P -","- C25 H24 N3 O4 P -","- C100 H96 N12 O16 P4 -","4","1","","Yu, Chengbin; Zheng, Weiping; Zhan, Junchen; Sun, Yuchao; Miao, Zhiwei","Highly regio- and diastereoselective construction of spirocyclopenteneoxindole phosphonates through a phosphine-catalyzed [3 + 2] annulation reaction","RSC Adv.","2014","4","108","63246","","10.1039/C4RA12997K","","","0.71073","MoKα","","0.0812","0.053","","","0.1311","0.1498","","","","","","0.961","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218881","11.9671","0.0011","5.9986","0.0004","14.9357","0.0011","90","","102.578","0.008","90","","1046.44","0.15","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 Cu N2 O8 -","- C18 H22 Cu N2 O8 -","- C36 H44 Cu2 N4 O16 -","2","1","","Wojciechowska, Agnieszka; Gągor, Anna; Jezierska, Julia; Duczmal, Marek","Structural, spectroscopic and magnetic properties of a novel copper(ii)l-tyrosinato complex","RSC Adv.","2014","4","108","63150","","10.1039/C4RA10717A","","","0.71073","MoKα","","0.0822","0.0505","","","0.1203","0.1343","","","","","","0.931","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218898","24.404","0.004","4.7162","0.0009","14.206","0.003","90","","90","","90","","1635","0.5","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H18 Br N O2 -","- C18 H18 Br N O2 -","- C72 H72 Br4 N4 O8 -","4","1","","Chen, Zhao; Wu, Di; Han, Xie; Nie, Yuting; Yin, Jun; Yu, Guang-Ao; Liu, Sheng Hua","1,8-Naphthalimide-based highly blue-emissive fluorophore induced by a bromine atom: reversible thermochromism and vapochromism characteristics","RSC Adv.","2014","4","109","63985","","10.1039/C4RA12091D","","","0.71073","MoKα","","0.0831","0.0404","","","0.0976","0.1118","","","","","","0.972","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218899","8.2418","0.0014","16.336","0.003","11.361","0.0019","90","","103.266","0.003","90","","1488.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Chen, Zhao; Wu, Di; Han, Xie; Nie, Yuting; Yin, Jun; Yu, Guang-Ao; Liu, Sheng Hua","1,8-Naphthalimide-based highly blue-emissive fluorophore induced by a bromine atom: reversible thermochromism and vapochromism characteristics","RSC Adv.","2014","4","109","63985","","10.1039/C4RA12091D","","","0.71073","MoKα","","0.0689","0.0569","","","0.1592","0.1744","","","","","","1.036","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218900","8.6255","0.0004","6.6197","0.0003","13.1658","0.0007","90","","90.297","0.004","90","","751.73","0.06","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","","Jiang, Neng; Li, Su-Yi; Xie, Sai-Sai; Yao, Hequan; Sun, Hongbin; Wang, Xiao-Bing; Kong, Ling-Yi","FeCl3and ether mediated direct intramolecular acylation of esters and their application in efficient preparation of xanthone and chromone derivatives","RSC Adv.","2014","4","109","63632","","10.1039/C4RA10174J","","","0.71073","MoKα","","0.0525","0.0396","","","0.1031","0.113","","","","","","1.035","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218901","4.8978","0.0014","13.654","0.005","14.129","0.005","90","","90","","90","","944.9","0.6","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 O2 -","- C13 H8 O2 -","- C52 H32 O8 -","4","1","","Jiang, Neng; Li, Su-Yi; Xie, Sai-Sai; Yao, Hequan; Sun, Hongbin; Wang, Xiao-Bing; Kong, Ling-Yi","FeCl3and ether mediated direct intramolecular acylation of esters and their application in efficient preparation of xanthone and chromone derivatives","RSC Adv.","2014","4","109","63632","","10.1039/C4RA10174J","","","1.54184","CuKα","","0.1625","0.11","","","0.1685","0.19","","","","","","1.002","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218902","13.5324","0.0008","7.0687","0.0004","25.6858","0.0017","90","","90","","90","","2457","0.3","290","2","290","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C128 H96 O24 -","8","1","","Jiang, Neng; Li, Su-Yi; Xie, Sai-Sai; Yao, Hequan; Sun, Hongbin; Wang, Xiao-Bing; Kong, Ling-Yi","FeCl3and ether mediated direct intramolecular acylation of esters and their application in efficient preparation of xanthone and chromone derivatives","RSC Adv.","2014","4","109","63632","","10.1039/C4RA10174J","","","0.71073","MoKα","","0.0736","0.0465","","","0.1021","0.1163","","","","","","1.028","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218943","11.4467","0.0003","15.3307","0.0006","17.6643","0.0006","83.794","0.003","87.765","0.002","86.541","0.003","3074.41","0.18","123.6","","123.6","","","","","","","","","8","P -1","-P 1","2","","","","- C70 H55 F6 N3 O7 P2 Ru S2 -","- C70 H55 F6 N3 O7 P2 Ru S2 -","- C140 H110 F12 N6 O14 P4 Ru2 S4 -","2","1","","Tomás-Mendivil, Eder; Menéndez-Rodríguez, Lucía; Francos, Javier; Crochet, Pascale; Cadierno, Victorio","Investigation of binap-based hydroxyphosphine arene–ruthenium(ii) complexes as catalysts for nitrile hydration","RSC Adv.","2014","4","108","63466","","10.1039/C4RA12013B","","","0.71073","MoKα","","0.0717","0.0519","","","0.1203","0.1323","","","","","","1.035","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218944","12.0316","0.0008","13.971","0.001","15.7586","0.0011","73.219","0.001","80.012","0.004","74.696","0.002","2432.6","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C90 H94 Cu2 N10 O28 -","- C90 H94 Cu2 N10 O28 -","- C90 H94 Cu2 N10 O28 -","1","1","","Kaur, Gagandeep; Abramovich, Lihi A.; Gazit, Ehud; Verma, Sandeep","Ultrastructure of metallopeptide-based soft spherical morphologies","RSC Adv.","2014","4","110","64457","","10.1039/C4RA10532J","","","0.71073","MoKα","","0.122","0.0767","","","0.1859","0.2129","","","","","","1.043","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218945","23.365","0.003","12.746","0.0018","17.904","0.002","90","","101.513","0.004","90","","5224.7","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Cl N2 O9 Zn -","- C24 H28 Cl N2 O9 Zn -","- C192 H224 Cl8 N16 O72 Zn8 -","8","1","","Mandal, Haridas; Chakrabartty, Sukanta; Ray, Debashis","Isothiocyanato and azido coordination induced structural diversity in zinc(ii) complexes with Schiff base containing tetrahydrofuran group: synthesis, characterization, crystal structure and fluorescence study","RSC Adv.","2014","4","110","65044","","10.1039/C4RA11352G","","","0.71073","MoKα","","0.1209","0.0584","","","0.1555","0.2023","","","","","","1.037","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218946","6.8404","0.0008","21.759","0.002","9.8058","0.0011","90","","106.686","0.003","90","","1398","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N4 O4 S2 Zn2 -","- C26 H28 N4 O4 S2 Zn2 -","- C52 H56 N8 O8 S4 Zn4 -","2","0.5","","Mandal, Haridas; Chakrabartty, Sukanta; Ray, Debashis","Isothiocyanato and azido coordination induced structural diversity in zinc(ii) complexes with Schiff base containing tetrahydrofuran group: synthesis, characterization, crystal structure and fluorescence study","RSC Adv.","2014","4","110","65044","","10.1039/C4RA11352G","","","0.71073","MoKα","","0.0452","0.041","","","0.0928","0.0954","","","","","","1.138","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218947","11.6671","0.0008","10.8103","0.0007","12.2636","0.0009","90","","103.876","0.002","90","","1501.61","0.18","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H28 N14 O4 Zn3 -","- C24 H28 N14 O4 Zn3 -","- C48 H56 N28 O8 Zn6 -","2","0.5","","Mandal, Haridas; Chakrabartty, Sukanta; Ray, Debashis","Isothiocyanato and azido coordination induced structural diversity in zinc(ii) complexes with Schiff base containing tetrahydrofuran group: synthesis, characterization, crystal structure and fluorescence study","RSC Adv.","2014","4","110","65044","","10.1039/C4RA11352G","","","0.71073","MoKα","","0.0691","0.0579","","","0.1278","0.1356","","","","","","1.02","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7222419","7.5438","","7.5438","","7.5438","","90","","90","","90","","429.309","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Na3 (P O4)","","- Na3 O4 P -","- Na3 O4.002 P -","- Na12 O16.008 P4 -","4","0.0208333","","Harrison, R.J.; Putnis, A.; Kockelmann, W.","Phase transition behaviour and equilibrium phase relations in the fast-ion conductor system (Na3 P O4) - (Na2 S O4)","Physical Chemistry Chemical Physics","2002","4","","3252","3259","","","","","","","","","","","","","","","","","","","","","","has coordinates","303134","2025-11-01","10:44:21",""
"7224682","7.075148","0.000088","5.664368","0.000077","9.73139","0.00013","90","","90","","90","","389.998","0.009","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Eu0.13 O16 Si4 Sr7.89 -","- Eu0.12 O16 Si4 Sr7.88 -","- Eu0.12 O16 Si4 Sr7.88 -","1","0.125","","Zhiguo Xia; Shihai Miao; Maxim S. Molokeev; Mingyue Chen; Quanlin Liu","Structure and luminescence properties of Eu2+ doped LuxSr2-xSiNxO4-x phosphors evolved from chemical unit cosubstitution","Journal of Materials Chemistry C","2016","4","0","1336","1344","10.1039/C5TC04222D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.88","1.43","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7224683","7.073702","0.000073","5.667776","0.000061","9.73626","0.0001","90","","90","","90","","390.348","0.007","300","","300","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Eu0.12 Lu0.02 O16 Si4 Sr7.86 -","- Eu0.13 Lu0.01 O16 Si4 Sr7.86 -","- Eu0.13 Lu0.01 O16 Si4 Sr7.86 -","1","0.125","","Zhiguo Xia; Shihai Miao; Maxim S. Molokeev; Mingyue Chen; Quanlin Liu","Structure and luminescence properties of Eu2+ doped LuxSr2-xSiNxO4-x phosphors evolved from chemical unit cosubstitution","Journal of Materials Chemistry C","2016","4","0","1336","1344","10.1039/C5TC04222D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.09","1.609","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7224684","12.058912","0.000096","12.058912","0.000096","12.058912","0.000096","90","","90","","90","","1753.58","0.02","300","","300","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- Al24 Ce0.48 Mg8 O96 Si8 Y23.52 -","- Al24 Ce0.48 Mg8 O96 Si8 Y23.52 -","- Al24 Ce0.48 Mg8 O96 Si8 Y23.52 -","1","0.0104167","","Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Rong-Jun Xie","New garnet structure phosphors, Lu3-xYxMgAl3SiO12:Ce3+ (x = 0, 1, 2, 3), developed by solid solution design","Journal of Materials Chemistry C","2016","4","12","2359","2366","10.1039/c6tc00089d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.96","1.602","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7224685","12.02572","0.00011","12.02572","0.00011","12.02572","0.00011","90","","90","","90","","1739.13","0.03","300","","300","","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- Al24 Ce0.48 Lu7.84 Mg8 O96 Si8 Y15.68 -","- Al24 Ce0.48 Lu7.84 Mg8 O96 Si8 Y15.68 -","- Al24 Ce0.48 Lu7.84 Mg8 O96 Si8 Y15.68 -","1","0.0104167","","Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Rong-Jun Xie","New garnet structure phosphors, Lu3-xYxMgAl3SiO12:Ce3+ (x = 0, 1, 2, 3), developed by solid solution design","Journal of Materials Chemistry C","2016","4","12","2359","2366","10.1039/c6tc00089d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.62","1.429","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7224686","11.995183","0.000062","11.995183","0.000062","11.995183","0.000062","90","","90","","90","","1725.92","0.015","300","","300","","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- Al24 Ce0.48 Lu15.68 Mg8 O96 Si8 Y7.84 -","- Al24 Ce0.48 Lu15.68 Mg8 O96 Si8 Y7.84 -","- Al24 Ce0.48 Lu15.68 Mg8 O96 Si8 Y7.84 -","1","0.0104167","","Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Rong-Jun Xie","New garnet structure phosphors, Lu3-xYxMgAl3SiO12:Ce3+ (x = 0, 1, 2, 3), developed by solid solution design","Journal of Materials Chemistry C","2016","4","12","2359","2366","10.1039/c6tc00089d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.73","1.451","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7224687","11.959576","0.000064","11.959576","0.000064","11.959576","0.000064","90","","90","","90","","1710.6","0.016","300","","300","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- Al24 Ce0.48 Lu23.52 Mg8 O96 Si8 -","- Al24 Ce0.48 Lu23.52 Mg8 O96 Si8 -","- Al24 Ce0.48 Lu23.52 Mg8 O96 Si8 -","1","0.0104167","","Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Rong-Jun Xie","New garnet structure phosphors, Lu3-xYxMgAl3SiO12:Ce3+ (x = 0, 1, 2, 3), developed by solid solution design","Journal of Materials Chemistry C","2016","4","12","2359","2366","10.1039/c6tc00089d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.88","1.289","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7226445","11.913627","0.000045","11.913627","0.000045","11.913627","0.000045","90","","90","","90","","1690.95","0.011","300","","300","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al40 Ce0.24 Lu23.76 O96 -","- Al40 Ce0.24 Lu23.76 O96 -","- Al40 Ce0.24 Lu23.76 O96 -","1","0.0104167","","Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Rong-Jun Xie; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Victor V. Atuchin","Structure evolution and photoluminescence of Lu3(Al,Mg)2(Al,Si)3O12:Ce3+ phosphors: New yellow-color converter for blue LED-driven solid state lighting","Journal of Materials Chemistry C","2016","4","0","6855","6863","10.1039/c6tc00966b","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.19","2.316","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7226446","11.938448","0.000035","11.938448","0.000035","11.938448","0.000035","90","","90","","90","","1701.55","0.009","300","","300","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- Al32 Ce0.24 Lu23.76 Mg4 O96 Si4 -","- Al32 Ce0.24 Lu23.76 Mg4 O96 Si4 -","- Al32 Ce0.24 Lu23.76 Mg4 O96 Si4 -","1","0.0104167","","Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Rong-Jun Xie; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Victor V. Atuchin","Structure evolution and photoluminescence of Lu3(Al,Mg)2(Al,Si)3O12:Ce3+ phosphors: New yellow-color converter for blue LED-driven solid state lighting","Journal of Materials Chemistry C","2016","4","0","6855","6863","10.1039/c6tc00966b","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.41","1.623","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7226447","11.959885","0.000042","11.959885","0.000042","11.959885","0.000042","90","","90","","90","","1710.73","0.01","300","","300","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- Al24 Ce0.24 Lu23.76 Mg8 O96 Si8 -","- Al24 Ce0.24 Lu23.76 Mg8 O96 Si8 -","- Al24 Ce0.24 Lu23.76 Mg8 O96 Si8 -","1","0.0104167","","Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Rong-Jun Xie; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Victor V. Atuchin","Structure evolution and photoluminescence of Lu3(Al,Mg)2(Al,Si)3O12:Ce3+ phosphors: New yellow-color converter for blue LED-driven solid state lighting","Journal of Materials Chemistry C","2016","4","0","6855","6863","10.1039/c6tc00966b","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.41","1.558","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7226448","11.979965","0.000059","11.979965","0.000059","11.979965","0.000059","90","","90","","90","","1719.36","0.015","300","","300","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- Al16 Ce0.24 Lu23.76 Mg12 O96 Si12 -","- Al16 Ce0.24 Lu23.76 Mg12 O96 Si12 -","- Al16 Ce0.24 Lu23.76 Mg12 O96 Si12 -","1","0.0104167","","Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Rong-Jun Xie; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Victor V. Atuchin","Structure evolution and photoluminescence of Lu3(Al,Mg)2(Al,Si)3O12:Ce3+ phosphors: New yellow-color converter for blue LED-driven solid state lighting","Journal of Materials Chemistry C","2016","4","0","6855","6863","10.1039/c6tc00966b","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.38","1.741","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7226449","11.985987","0.00006","11.985987","0.00006","11.985987","0.00006","90","","90","","90","","1721.95","0.015","300","","300","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- Al8 Ce0.24 Lu23.76 Mg16 O96 Si16 -","- Al8 Ce0.24 Lu23.76 Mg16 O96 Si16 -","- Al8 Ce0.24 Lu23.76 Mg16 O96 Si16 -","1","0.0104167","","Haipeng Ji; Le Wang; Maxim Molokeev; Naoto Hirosaki; Rong-Jun Xie; Zhaohui Huang; Zhiguo Xia; Otmar Melvin ten Kate; Lihong Liu; Victor V. Atuchin","Structure evolution and photoluminescence of Lu3(Al,Mg)2(Al,Si)3O12:Ce3+ phosphors: New yellow-color converter for blue LED-driven solid state lighting","Journal of Materials Chemistry C","2016","4","0","6855","6863","10.1039/c6tc00966b","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.59","1.917","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7226870","12.006801","0.000054","12.006801","0.000054","12.006801","0.000054","90","","90","","90","","1730.94","0.013","300","","300","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- Al32 Ba8 Ce0.32 O96 Si8 Y15.68 -","- Al32 Ba8 Ce0.32 O96 Si8 Y15.68 -","- Al32 Ba8 Ce0.32 O96 Si8 Y15.68 -","1","0.0104167","","Haipeng Ji; Le Wang; Yujin Cho; Naoto Hirosaki; Maxim Molokeev; Zhiguo Xia; Zhaohui Huang; Rong-Jun Xie","New Y2BaAl4SiO12:Ce3+ yellow microcrystal-glass powder phosphor with high thermal emission stability","Journal of Materials Chemistry C","2016","4","0","9872","9878","10.1039/C6TC03422E","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.38","1.287","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7227277","15.5031","0.0004","15.5031","0.0004","12.0934","0.0004","90","","90","","90","","2906.6","0.14","293","2","293","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C12 H12 N22 O12 Zn5 -","- C12 H12 N22 O12 Zn5 -","- C48 H48 N88 O48 Zn20 -","4","","","Ye, Yingxiang; Wu, Xiuzhen; Yao, Zizhu; Wu, Ling; Cai, Zetao; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Metal–organic frameworks with a large breathing effect to host hydroxyl compounds for high anhydrous proton conductivity over a wide temperature range from subzero to 125 °C","J. Mater. Chem. A","2016","4","11","4062","4070","10.1039/c5ta10765b","","","1.54184","CuKα","","0.0402","0.032","","","0.0781","0.0847","","","","","","1.04","","","","has coordinates,has disorder","301865","2025-08-22","16:17:10",""
"7227278","11.9442","0.0016","19.1318","0.001","9.2109","0.0007","90","","109.821","0.012","90","","1980.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H6 N3 O4 Zn1.5 -","- C10 H6 N3 O4 Zn1.5 -","- C40 H24 N12 O16 Zn6 -","4","0.5","","Ye, Yingxiang; Wu, Xiuzhen; Yao, Zizhu; Wu, Ling; Cai, Zetao; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Metal‒organic frameworks with a large breathing effect to host hydroxyl compounds for high anhydrous proton conductivity over a wide temperature range from subzero to 125 °C","J. Mater. Chem. A","2016","4","11","4062","4070","10.1039/c5ta10765b","","","1.54184","CuKα","","0.0639","0.0428","","","0.0956","0.1043","","","","","","1.008","","","","has coordinates","189226","2020-10-21","18:00:00",""
"7227279","9.1768","0.0005","10.9017","0.0008","11.3961","0.0009","117.938","0.008","100.535","0.005","98.517","0.005","953.71","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 N8 O12 Zn3 -","- C34 H36 N8 O12 Zn3 -","- C34 H36 N8 O12 Zn3 -","1","0.5","","Ye, Yingxiang; Wu, Xiuzhen; Yao, Zizhu; Wu, Ling; Cai, Zetao; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Metal‒organic frameworks with a large breathing effect to host hydroxyl compounds for high anhydrous proton conductivity over a wide temperature range from subzero to 125 °C","J. Mater. Chem. A","2016","4","11","4062","4070","10.1039/c5ta10765b","","x-ray","1.54184","CuKα","","0.0956","0.081","","","0.2161","0.2326","","","","","","1.021","","","","has coordinates","189226","2020-10-21","18:00:00",""
"7227280","9.2142","0.0006","11.1531","0.0019","11.3582","0.0019","112.294","0.016","99.494","0.009","99.046","0.009","1033.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 N3 O4 Zn1.5 -","- C10 H6 N3 O4 Zn1.5 -","- C20 H12 N6 O8 Zn3 -","2","1","","Ye, Yingxiang; Wu, Xiuzhen; Yao, Zizhu; Wu, Ling; Cai, Zetao; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Metal‒organic frameworks with a large breathing effect to host hydroxyl compounds for high anhydrous proton conductivity over a wide temperature range from subzero to 125 °C","J. Mater. Chem. A","2016","4","11","4062","4070","10.1039/c5ta10765b","","","1.54184","CuKα","","0.1124","0.0835","","","0.1996","0.2213","","","","","","1.017","","","","has coordinates","189226","2020-10-21","18:00:00",""
"7227281","9.1743","0.0004","10.8488","0.0005","11.3458","0.0005","113.479","0.004","98.726","0.004","98.016","0.004","998.57","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H47 N6 O11 Zn3 -","- C38 H47 N6 O11 Zn3 -","- C38 H47 N6 O11 Zn3 -","1","0.5","","Ye, Yingxiang; Wu, Xiuzhen; Yao, Zizhu; Wu, Ling; Cai, Zetao; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Metal‒organic frameworks with a large breathing effect to host hydroxyl compounds for high anhydrous proton conductivity over a wide temperature range from subzero to 125 °C","J. Mater. Chem. A","2016","4","11","4062","4070","10.1039/c5ta10765b","","","1.54184","CuKα","","0.074","0.067","","","0.185","0.1937","","","","","","1.047","","","","has coordinates","189226","2020-10-21","18:00:00",""
"7227282","12.1742","0.0004","18.9858","0.0005","9.198","0.0003","90","","108.81","0.004","90","","2012.45","0.12","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H12 N6 O8 Zn3 -","- C20 H12 N6 O8 Zn3 -","- C40 H24 N12 O16 Zn6 -","2","0.25","","Ye, Yingxiang; Wu, Xiuzhen; Yao, Zizhu; Wu, Ling; Cai, Zetao; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Metal‒organic frameworks with a large breathing effect to host hydroxyl compounds for high anhydrous proton conductivity over a wide temperature range from subzero to 125 °C","J. Mater. Chem. A","2016","4","11","4062","4070","10.1039/c5ta10765b","","","1.54184","CuKα","","0.0284","0.0255","","","0.0748","0.0769","","","","","","1.079","","","","has coordinates","189226","2020-10-21","18:00:00",""
"7227283","8.6854","0.0005","19.7877","0.0008","7.9849","0.0005","90","","113.775","0.007","90","","1255.86","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N3 O4 Zn1.5 -","- C10 H6 N3 O4 Zn1.5 -","- C40 H24 N12 O16 Zn6 -","4","1","","Ye, Yingxiang; Wu, Xiuzhen; Yao, Zizhu; Wu, Ling; Cai, Zetao; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Metal‒organic frameworks with a large breathing effect to host hydroxyl compounds for high anhydrous proton conductivity over a wide temperature range from subzero to 125 °C","J. Mater. Chem. A","2016","4","11","4062","4070","10.1039/c5ta10765b","","x-ray","1.54184","CuKα","","0.0608","0.042","","","0.1009","0.1119","","","","","","1.008","","","","has coordinates","189226","2020-10-21","18:00:00",""
"7228628","11.374","0.003","11.374","0.003","11.44","0.005","90","","90","","90","","1480","0.9","","","293","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Mo4 Na5 O16 Y -","- Mo4 Na5 O16 Y -","- Mo16 Na20 O64 Y4 -","4","0.25","","Stedman, Nicola J.; Cheetham, Anthony K.; Battle, Peter D.","Crystal structures of two sodium yttrium molybdates : NaY(MoO4)2 and Na5Y(MoO4)4","Journal of Materials Chemistry","1994","4","","707","711","","","x-ray","0.71069","MoKα","","","0.0314","","","0.0338","","","","","","","","","","","has coordinates","198360","2020-10-21","18:00:00",""
"7228629","5.1989","0.00005","5.1989","0.00005","11.3299","0.0001","90","","90","","90","","306.231","0.005","","","293","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Mo2 Na O8 Y -","- Mo2 Na O8 Y -","- Mo4 Na2 O16 Y2 -","2","0.125","","Stedman, Nicola J.; Cheetham, Anthony K.; Battle, Peter D.","Crystal structures of two sodium yttrium molybdates : NaY(MoO4)2 and Na5Y(MoO4)4","Journal of Materials Chemistry","1994","4","","707","711","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","0.0549","","","","","","","","has coordinates","198361","2020-10-21","18:00:00",""
"7234518","9.9507","0.0009","14.1404","0.0014","15.7474","0.0011","90","","90","","90","","2215.8","0.3","173","0.14","173","0.14","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 F2 O2 -","- C28 H22 F2 O2 -","- C112 H88 F8 O8 -","4","1","","Zhiyong Yang; Wei Qin; Nelson L. C. Leung; Mathieu Arseneault; Jacky W. Y. Lam; Guodong Liang; Herman H. Y. Sung; Ian D. Williams; Ben Zhong Tang","A mechanistic study of AIE processes of TPE luminogens: intramolecular rotation vs. configurational isomerization","Journal of Materials Chemistry C","2016","4","","99","107","10.1039/C5TC02924D","","x-ray","1.5418","CuKα","","0.0465","0.0388","","","0.1006","0.1059","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234519","9.9658","0.0005","10.8639","0.0005","10.6141","0.0005","90","","102.33","0.005","90","","1122.65","0.1","173","0.14","173","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H22 F2 O2 -","- C28 H22 F2 O2 -","- C56 H44 F4 O4 -","2","1","","Zhiyong Yang; Wei Qin; Nelson L. C. Leung; Mathieu Arseneault; Jacky W. Y. Lam; Guodong Liang; Herman H. Y. Sung; Ian D. Williams; Ben Zhong Tang","A mechanistic study of AIE processes of TPE luminogens: intramolecular rotation vs. configurational isomerization","Journal of Materials Chemistry C","2016","4","","99","107","10.1039/C5TC02924D","","x-ray","0.7107","MoKα","","0.0716","0.0557","","","0.0975","0.1038","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234520","10.717","0.005","21.264","0.005","11.42","0.005","90","0.005","113.404","0.005","90","0.005","2388.3","1.6","110","2","110","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 -","- C35 H24 -","- C140 H96 -","4","1","","Shiv Kumar; Deepak Kumar; Yogesh Patil; Satish Patil","Fluoranthene derivatives as blue fluorescent materials for non-doped organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","193","200","10.1039/C5TC02926K","","","0.71073","MoKα","","0.1048","0.0878","","","0.1669","0.1753","","","","","","1.116","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234521","10.4175","0.0004","24.6449","0.0011","8.6723","0.0004","90","","92.512","0.004","90","","2224.37","0.17","110","2","110","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 -","- C34 H22 -","- C136 H88 -","4","1","","Shiv Kumar; Deepak Kumar; Yogesh Patil; Satish Patil","Fluoranthene derivatives as blue fluorescent materials for non-doped organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","193","200","10.1039/C5TC02926K","","","0.71073","MoKα","","0.0508","0.0406","","","0.0945","0.1031","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234522","10.6612","0.0005","12.3458","0.0005","13.5451","0.0005","65.985","0.004","69.792","0.004","64.799","0.004","1441.18","0.12","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H34 O -","- C40 H34 O -","- C80 H68 O2 -","2","1","","Shiv Kumar; Deepak Kumar; Yogesh Patil; Satish Patil","Fluoranthene derivatives as blue fluorescent materials for non-doped organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","193","200","10.1039/C5TC02926K","","","0.71073","MoKα","","0.051","0.0435","","","0.1067","0.1134","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234523","13.735","0.0016","17.809","0.002","10.8399","0.0012","90","","112.052","0.003","90","","2457.5","0.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H21 N -","- C35 H21 N -","- C140 H84 N4 -","4","1","","Shiv Kumar; Deepak Kumar; Yogesh Patil; Satish Patil","Fluoranthene derivatives as blue fluorescent materials for non-doped organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","193","200","10.1039/C5TC02926K","","","0.71073","MoKα","","0.0807","0.06","","","0.1688","0.2027","","","","","","1.1","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234524","12.5215","0.0016","24.786","0.003","15.897","0.002","90","","108.858","0.003","90","","4668.9","1","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H63 O4.5 -","- C52 H50 O2 -","- C208 H200 O8 -","4","1","","Shiv Kumar; Deepak Kumar; Yogesh Patil; Satish Patil","Fluoranthene derivatives as blue fluorescent materials for non-doped organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","193","200","10.1039/C5TC02926K","","","0.71073","MoKα","","0.247","0.1392","","","0.3497","0.4037","","","","","","1.226","","","","has coordinates","219246","2020-10-21","18:00:00",""
"7234525","12.7268","0.0006","17.1535","0.0007","7.0352","0.0003","90","","90","","90","","1535.85","0.12","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H8 Cl5 Fe N2 O3 -","- C6 H8 Cl5 Fe N2 O3 -","- C24 H32 Cl20 Fe4 N8 O12 -","4","0.5","","Tianliang Chen; Zhihua Sun; Sangen Zhao; Chengmin Ji; Junhua Luo","An organic-inorganic hybrid co-crystal complex as a high-performance solid-state nonlinear optical switch","Journal of Materials Chemistry C","2016","4","","266","271","10.1039/C5TC03278D","","","0.71073","MoKα","","0.0497","0.0421","","","0.1188","0.1272","","","","","","1.045","","","","has coordinates","219249","2020-10-21","18:00:00",""
"7234526","6.9337","0.0002","12.7285","0.0004","16.9517","0.0007","90","","90","","90","","1496.08","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H20 Cl5 Fe N2 O3 -","- C6 H20 Cl5 Fe N2 O3 -","- C24 H80 Cl20 Fe4 N8 O12 -","4","1","","Tianliang Chen; Zhihua Sun; Sangen Zhao; Chengmin Ji; Junhua Luo","An organic-inorganic hybrid co-crystal complex as a high-performance solid-state nonlinear optical switch","Journal of Materials Chemistry C","2016","4","","266","271","10.1039/C5TC03278D","","","0.71073","MoKα","","0.0354","0.0301","","","0.064","0.068","","","","","","1.065","","","","has coordinates","219249","2020-10-21","18:00:00",""
"7234541","20.8833","0.0006","17.2831","0.0004","19.1606","0.0008","90","","121.054","0.001","90","","5924.5","0.3","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 Co N6 O2 -","- C38 H24 Co N6 O2 -","- C304 H192 Co8 N48 O16 -","8","1","","R. A. Taylor; A. J. Lough; M. T. Lemaire","Spin-crossover in a homoleptic cobalt(ii) complex containing a redox-active NNO ligand","Journal of Materials Chemistry C","2016","4","","455","459","10.1039/C5TC03137K","","","1.54178","CuKα","","0.0489","0.0368","","","0.0852","0.0912","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234542","21.2693","0.0009","17.2515","0.0007","19.103","0.0008","90","","120.899","0.002","90","","6014.6","0.5","325","2","325","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 Co N6 O2 -","- C38 H24 Co N6 O2 -","- C304 H192 Co8 N48 O16 -","8","1","","R. A. Taylor; A. J. Lough; M. T. Lemaire","Spin-crossover in a homoleptic cobalt(ii) complex containing a redox-active NNO ligand","Journal of Materials Chemistry C","2016","4","","455","459","10.1039/C5TC03137K","","","1.54178","CuKα","","0.0566","0.0368","","","0.083","0.0935","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234543","8.708","0.0004","15.9311","0.0009","9.559","0.0006","90","","111.714","0.004","90","","1232","0.12","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N4 -","- C15 H12 N4 -","- C60 H48 N16 -","4","1","","Filip Bures; Daniel Cvejn; Klara Melanova; Ludvik Benes; Jan Svoboda; Vitezslav Zima; Oldrich Pytela; Tomas Mikysek; Zdenka Ruzickova; I. V. Kityk; Artur Wojciechowski; Nasser AlZayed","Effect of intercalation and chromophore arrangement on the linear and nonlinear optical properties of model aminopyridine push-pull molecules","Journal of Materials Chemistry C","2016","4","","468","478","10.1039/C5TC03499J","","","0.71073","MoKα","","0.0599","0.0427","","","0.0914","0.1038","","","","","","1.123","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234544","8.2837","0.0017","15.617","0.006","25.025","0.007","90","","91.261","0.016","90","","3236.6","1.7","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C168 H128 N16 O24 -","8","2","","Guohui Yin; Yawen Ma; Yao Xiong; Xiaohui Cao; Yang Li; Ligong Chen","Enhanced AIE and different stimuli-responses in red fluorescent (1,3-dimethyl)barbituric acid-functionalized anthracenes","Journal of Materials Chemistry C","2016","4","","751","757","10.1039/C5TC03629A","","","0.71073","MoKα","","0.056","0.0425","","","0.1221","0.1296","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234545","10.011","0.0009","6.9999","0.0006","11.576","0.001","90","","101.36","0.01","90","","795.31","0.12","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C38 H30 N6 O4 -","2","0.5","","Martin Ipuy; Yuan-Yuan Liao; Erwann Jeanneau; Patrice L. Baldeck; Yann Bretonniere; Chantal Andraud","Solid state red biphotonic excited emission from small dipolar fluorophores","Journal of Materials Chemistry C","2016","4","","766","779","10.1039/C5TC03465E","","","1.5418","CuKα","","0.0465","0.0448","","0.1059","0.1043","0.1059","","","","","","0.9391","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234546","8.0071","0.0005","15.2572","0.0008","14.989","0.001","90","","102.87","0.006","90","","1785.14","0.19","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C80 H68 N12 O12 -","4","1","","Martin Ipuy; Yuan-Yuan Liao; Erwann Jeanneau; Patrice L. Baldeck; Yann Bretonniere; Chantal Andraud","Solid state red biphotonic excited emission from small dipolar fluorophores","Journal of Materials Chemistry C","2016","4","","766","779","10.1039/C5TC03465E","","","1.5418","CuKα","","0.0502","0.0462","","0.0858","0.08","0.0858","","","","","","1.0087","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234547","13.854","0.002","15.11","0.002","16.697","0.003","90","","90","","90","","3495.2","0.9","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C160 H136 N24 O24 -","8","1","","Martin Ipuy; Yuan-Yuan Liao; Erwann Jeanneau; Patrice L. Baldeck; Yann Bretonniere; Chantal Andraud","Solid state red biphotonic excited emission from small dipolar fluorophores","Journal of Materials Chemistry C","2016","4","","766","779","10.1039/C5TC03465E","","","1.5418","CuKα","","0.0755","0.0621","","0.1105","0.0947","0.1105","","","","","","1.0253","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234548","10.397","0.002","9.828","0.001","17.179","0.002","90","","94.99","0.01","90","","1748.7","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C80 H68 N12 O12 -","4","1","","Martin Ipuy; Yuan-Yuan Liao; Erwann Jeanneau; Patrice L. Baldeck; Yann Bretonniere; Chantal Andraud","Solid state red biphotonic excited emission from small dipolar fluorophores","Journal of Materials Chemistry C","2016","4","","766","779","10.1039/C5TC03465E","","","1.5418","CuKα","","0.0837","0.0661","","0.2043","0.1605","0.2043","","","","","","0.9987","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234549","15.229","0.002","7.5088","0.0007","16.639","0.001","90","","92.397","0.007","90","","1901","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C84 H76 N12 O16 -","4","1","","Martin Ipuy; Yuan-Yuan Liao; Erwann Jeanneau; Patrice L. Baldeck; Yann Bretonniere; Chantal Andraud","Solid state red biphotonic excited emission from small dipolar fluorophores","Journal of Materials Chemistry C","2016","4","","766","779","10.1039/C5TC03465E","","x-ray","1.54184","CuKα","","0.0762","0.0693","","0.1412","0.1247","0.1412","","","","","","1.074","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234550","17.121","0.001","6.9428","0.0005","15.446","0.001","90","","90","","90","","1836","0.2","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C80 H68 N12 O12 -","4","0.5","","Martin Ipuy; Yuan-Yuan Liao; Erwann Jeanneau; Patrice L. Baldeck; Yann Bretonniere; Chantal Andraud","Solid state red biphotonic excited emission from small dipolar fluorophores","Journal of Materials Chemistry C","2016","4","","766","779","10.1039/C5TC03465E","","","1.5418","CuKα","","0.0422","0.0392","","0.1128","0.1081","0.1128","","","","","","1.0111","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234551","16.2981","0.0011","16.4911","0.0009","7.1281","0.0005","90","","100.738","0.006","90","","1882.3","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C84 H76 N12 O16 -","4","1","","Martin Ipuy; Yuan-Yuan Liao; Erwann Jeanneau; Patrice L. Baldeck; Yann Bretonniere; Chantal Andraud","Solid state red biphotonic excited emission from small dipolar fluorophores","Journal of Materials Chemistry C","2016","4","","766","779","10.1039/C5TC03465E","","","1.54184","CuKα","","0.0812","0.0733","","","0.1925","0.2046","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234552","11.627","","15.555","","22.222","","90","","90","","90","","4019.03","","296","2","296","2","","","","","","","","5","P m m m","-P 2 2","47","","","","- C66 H34 N6 O12 Zn2 -","- C66 H34 N6 O12 Zn2 -","- C66 H34 N6 O12 Zn2 -","1","0.125","","Zhiyong Guo; Dillip K. Panda; Krishnendu Maity; David Lindsey; T. Gannon Parker; Thomas E. Albrecht-Schmitt; Jorge L. Barreda-Esparza; Peng Xiong; Wei Zhou; Sourav Saha","Modulating the electrical conductivity of metal-organic framework films with intercalated guest pi-systems","Journal of Materials Chemistry C","2016","4","","894","899","10.1039/C5TC02232K","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","219287","2020-10-21","18:00:00",""
"7234553","27.2477","0.0011","21.3076","0.0011","8.9486","0.0004","90","","91.472","0.002","90","","5193.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H23 N3 O -","- C36 H23 N3 O -","- C288 H184 N24 O8 -","8","2","","Pachaiyappan Rajamalli; Natarajan Senthilkumar; Parthasarathy Gandeepan; Chen-Zheng Ren-Wu; Hao-Wu Lin; Chien-Hong Cheng","A thermally activated delayed blue fluorescent emitter with reversible externally tunable emission","Journal of Materials Chemistry C","2016","4","","900","904","10.1039/C5TC03943F","","","0.71073","MoKα","","0.1153","0.0752","","","0.1821","0.2194","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234554","22.1463","0.0003","10.5116","0.0001","8.1653","0.0001","90","","90","","90","","1900.83","0.04","133","2","133","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H21 N3 O3 S2 -","- C19 H21 N3 O3 S2 -","- C76 H84 N12 O12 S8 -","4","1","","S. H. Habenicht; S. Schramm; S. Fischer; T. Sachse; F. Herrmann-Westendorf; A. Bellmann; B. Dietzek; M. Presselt; D. Weiss; R. Beckert; H. Gorls","Tuning the polarity and surface activity of hydroxythiazoles - extending the applicability of highly fluorescent self-assembling chromophores to supra-molecular photonic structures","Journal of Materials Chemistry C","2016","4","","958","971","10.1039/C5TC03632A","","","0.71073","MoKα","","0.0222","0.0217","","","0.0588","0.0593","","","","","","1.076","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234555","7.0339","0.0001","12.5011","0.0003","12.5338","0.0003","76.065","0.001","89.022","0.001","75.506","0.001","1034.54","0.04","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N4 O5 S2 -","- C20 H22 N4 O5 S2 -","- C40 H44 N8 O10 S4 -","2","1","","S. H. Habenicht; S. Schramm; S. Fischer; T. Sachse; F. Herrmann-Westendorf; A. Bellmann; B. Dietzek; M. Presselt; D. Weiss; R. Beckert; H. Gorls","Tuning the polarity and surface activity of hydroxythiazoles - extending the applicability of highly fluorescent self-assembling chromophores to supra-molecular photonic structures","Journal of Materials Chemistry C","2016","4","","958","971","10.1039/C5TC03632A","","","0.71073","MoKα","","0.0339","0.0316","","","0.0794","0.0817","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234556","8.7383","0.0001","18.1604","0.0002","6.7072","0.0001","90","","90","","90","","1064.37","0.02","297","2","297","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H12 Dy N O8 -","- C6 H12 Dy N O8 -","- C24 H48 Dy4 N4 O32 -","4","1","","Maciej Ptak; Miroslaw Maczka; Anna Gagor; Pawel Gluchowski; Lucyna Macalik","Synthesis, structure and optical properties of two novel luminescent polar dysprosium metal-organic frameworks: [(CH3)2NH2][Dy(HCOO)4] and [N2H5][Dy(HCOO)4]","Journal of Materials Chemistry C","2016","4","","1019","1028","10.1039/C5TC04264J","","","0.71073","MoKα","","0.0131","0.0122","","","0.027","0.0273","","","","","","1.105","","","","has coordinates","219290","2020-10-21","18:00:00",""
"7234557","18.3359","0.0005","6.60183","0.00017","7.6049","0.0002","90","","90","","90","","920.58","0.04","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Dy N2 O8 -","- C4 H9 Dy N2 O8 -","- C16 H36 Dy4 N8 O32 -","4","1","","Maciej Ptak; Miroslaw Maczka; Anna Gagor; Pawel Gluchowski; Lucyna Macalik","Synthesis, structure and optical properties of two novel luminescent polar dysprosium metal-organic frameworks: [(CH3)2NH2][Dy(HCOO)4] and [N2H5][Dy(HCOO)4]","Journal of Materials Chemistry C","2016","4","","1019","1028","10.1039/C5TC04264J","","","0.7107","MoKα","","0.0151","0.0147","","","0.0375","0.0377","","","","","","1.116","","","","has coordinates","219290","2020-10-21","18:00:00",""
"7234558","33.005","0.012","3.7442","0.0013","10.782","0.004","90","","90","","90","","1332.4","0.8","93","","93","","","","","","","","","4","P m n 21","P 2ac -2","31","","B4PyMFB","","- C38 H25 F N4 -","- C38 H25 F N4 -","- C76 H50 F2 N8 -","2","0.5","","Takahiro Kamata; Hisahiro Sasabe; Yuichirio Watanabe; Daisuke Yokoyama; Hiroshi Katagiri; Junji Kido","A series of fluorinated phenylpyridine-based electron-transporters for blue phosphorescent OLEDs","Journal of Materials Chemistry C","2016","4","","1104","1110","10.1039/C5TC03879K","","","0.71075","MoKα","","0.0373","0.0335","","","0.0915","0.1054","","","","","","1.107","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234559","8.2294","0.0002","8.2294","0.0002","14.1221","0.0005","90","","90","","120","","828.26","0.04","298","2","298","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe2 N O12 -","- C7.9999 H14.0016 Fe2 N O12 -","- C15.9998 H28.0032 Fe4 N2 O24 -","2","0.166667","","Miroslaw Maczka; Aneta Ciupa; Anna Gagor; Adam Sieradzki; Adam Pikul; Maciej Ptak","Structural, magnetic and dielectric properties of two novel mixed-valence iron(ii)-iron(iii) metal formate frameworks","Journal of Materials Chemistry C","2016","4","","1186","1193","10.1039/C5TC03683F","","","0.7107","MoKα","","0.0458","0.0379","","","0.1059","0.1128","","","","","","1.093","","","","has coordinates,has disorder","219292","2020-10-21","18:00:00",""
"7234560","8.4483","0.0002","8.4483","0.0002","13.7058","0.0004","90","","90","","120","","847.18","0.04","260","2","260","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C10 H18 Fe2 N O12 -","- C9.9996 H17.9994 Fe2 N0.9999 O12 -","- C19.9992 H35.9988 Fe4 N1.9998 O24 -","2","0.166667","","Miroslaw Maczka; Aneta Ciupa; Anna Gagor; Adam Sieradzki; Adam Pikul; Maciej Ptak","Structural, magnetic and dielectric properties of two novel mixed-valence iron(ii)-iron(iii) metal formate frameworks","Journal of Materials Chemistry C","2016","4","","1186","1193","10.1039/C5TC03683F","","","0.71073","MoKα","","0.0337","0.0292","","","0.0771","0.0793","","","","","","1.084","","","","has coordinates,has disorder","219292","2020-10-21","18:00:00",""
"7234561","6.841","0.0014","7.313","0.0015","35.529","0.007","90","","90","","90","","1777.5","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","0.5","","Yuanxiang Xu; Kai Wang; Yujian Zhang; Zengqi Xie; Bo Zou; Yuguang Ma","Fluorescence mutation and structural evolution of a pi-conjugated molecular crystal during phase transition","Journal of Materials Chemistry C","2016","4","","1257","1262","10.1039/C5TC03745J","","","0.71073","MoKα","","0.0916","0.0565","","","0.129","0.1489","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234562","26.93","0.006","6.9117","0.0014","9.772","0.002","90","","100.45","0.03","90","","1788.7","0.7","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","1","","Yuanxiang Xu; Kai Wang; Yujian Zhang; Zengqi Xie; Bo Zou; Yuguang Ma","Fluorescence mutation and structural evolution of a pi-conjugated molecular crystal during phase transition","Journal of Materials Chemistry C","2016","4","","1257","1262","10.1039/C5TC03745J","","","0.71073","MoKα","","0.1382","0.0924","","","0.3063","0.3333","","","","","","1.063","","","","has coordinates","219293","2020-10-21","18:00:00",""
"7234563","9.0707","0.001","10.207","0.0012","16.8469","0.0019","76.256","0.002","79.265","0.002","85.927","0.002","1488","0.3","100","2","100","2","","","","","","","no","4","P -1","-P 1","2","TPM-i-TAZ","3,5,6-tris(3-(pyrimidin-5-yl)phenyl)-1,2,4-triazine","","- C34 H22 Cl3 N9 -","- C34 H22 Cl3 N9 -","- C68 H44 Cl6 N18 -","2","1","","Xiaojun Yin; Dongcheng Chen; Qiming Peng; Yepeng Xiang; Guohua Xie; Zece Zhu; Cheng Zhong; Feng Li; Shijian Su; Chuluo Yang","Rational utilization of intramolecular and intermolecular hydrogen bonds to achieve desirable electron transporting materials with high mobility and high triplet energy","Journal of Materials Chemistry C","2016","4","","1482","1489","10.1039/C5TC04198H","","","0.71073","MoKα","","0.0612","0.0492","","","0.1428","0.1656","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234564","12.689","0.006","7.276","0.004","28.901","0.015","90","","94.641","0.007","90","","2660","2","296","2","296","2","","","","","","","no","3","P 1 21/n 1","-P 2yn","14","TPM-TAZ","2,4,6-tris(3-(pyrimidin-5-yl)phenyl)-1,3,5-triazine","","- C33 H21 N9 -","- C33 H21 N9 -","- C132 H84 N36 -","4","1","","Xiaojun Yin; Dongcheng Chen; Qiming Peng; Yepeng Xiang; Guohua Xie; Zece Zhu; Cheng Zhong; Feng Li; Shijian Su; Chuluo Yang","Rational utilization of intramolecular and intermolecular hydrogen bonds to achieve desirable electron transporting materials with high mobility and high triplet energy","Journal of Materials Chemistry C","2016","4","","1482","1489","10.1039/C5TC04198H","","","0.71073","MoKα","","0.0936","0.0555","","","0.1526","0.1836","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234565","13.25","0.008","9.163","0.006","23.928","0.015","90","","102.006","0.008","90","","2842","3","296","2","296","2","","","","","","","no","3","P 1 21/c 1","-P 2ybc","14","TPM-TPB","1,3,5-tri(3-(pyrimidin-5-yl)phenyl)benzene","","- C36 H24 N6 -","- C36 H24 N6 -","- C144 H96 N24 -","4","1","","Xiaojun Yin; Dongcheng Chen; Qiming Peng; Yepeng Xiang; Guohua Xie; Zece Zhu; Cheng Zhong; Feng Li; Shijian Su; Chuluo Yang","Rational utilization of intramolecular and intermolecular hydrogen bonds to achieve desirable electron transporting materials with high mobility and high triplet energy","Journal of Materials Chemistry C","2016","4","","1482","1489","10.1039/C5TC04198H","","","0.71073","MoKα","","0.08","0.0585","","","0.18","0.2034","","","","","","1.081","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234572","18.9533","0.0012","9.1195","0.0006","21.5823","0.0013","90","","113.281","0.002","90","","3426.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 N4 O3 S -","- C41 H38 N4 O3 S -","- C164 H152 N16 O12 S4 -","4","1","","Wen Li; Yu-Mo Zhang; Ting Zhang; Weiran Zhang; Minjie Li; Sean Xiao-An Zhang","Tunable RGB luminescence of a single molecule with high quantum yields through a rational design","Journal of Materials Chemistry C","2016","4","","1527","1532","10.1039/C5TC03378K","","","0.71073","MoKα","","0.1242","0.0584","","","0.133","0.1604","","","","","","1.027","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234573","7.96476","0.00007","7.96476","","7.96476","","90","","90","","90","","505.264","0.004","310","","310","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Pb2FeMoO6","","- Fe0.18 Mo0.15 O Pb0.33 -","- Fe0.183333 Mo0.15 O Pb0.333333 -","- Fe4.4 Mo3.6 O24 Pb8 -","24","0.125","","F. Mezzadri; D. Delmonte; F. Orlandi; C. Pernechele; G. Calestani; M. Solzi; M. Lantieri; G. Spina; R. Cabassi; F. Bolzoni; M. Fittipaldi; M. Merlini; A. Migliori; P. Manuel; E. Gilioli","Structural and magnetic characterization of the double perovskite Pb2FeMoO6","Journal of Materials Chemistry C","2016","4","","1533","1542","10.1039/C5TC03529E","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","219326","2020-10-21","18:00:00",""
"7234574","25.333","0.013","24.73","0.01","40.341","0.019","90","","97.579","0.016","90","","25052","2","190","1","190","1","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C280 H356 Cd22 Cl14 La6 N20 O99 -","- C280 H356 Cd22 Cl14 La6 N20 O99 -","- C560 H712 Cd44 Cl28 La12 N40 O198 -","2","0.5","","Xiaoping Yang; Shiqing Wang; Lijie Zhang; Shaoming Huang; Zongping Li; Chengri Wang; Ting Zhu; Le Bo","First NIR luminescent polymeric high-nuclearity Cd-Ln nanoclusters from a long-chain Schiff base ligand","Journal of Materials Chemistry C","2016","4","","1589","1593","10.1039/C5TC04103A","","","0.710747","MoKα","","0.1488","0.0932","","","0.244","0.2715","","","","","","1.047","","","","has coordinates,has disorder","219327","2020-10-21","18:00:00",""
"7234575","24.724","0.005","24.125","0.005","39.007","0.008","90","","97.61","0.03","90","","23061","8","190","1","190","1","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C280 H356 Cd22 Cl14 N20 Nd6 O99 -","- C280 H356 Cd22 Cl14 N20 Nd6 O99 -","- C560 H712 Cd44 Cl28 N40 Nd12 O198 -","2","0.5","","Xiaoping Yang; Shiqing Wang; Lijie Zhang; Shaoming Huang; Zongping Li; Chengri Wang; Ting Zhu; Le Bo","First NIR luminescent polymeric high-nuclearity Cd-Ln nanoclusters from a long-chain Schiff base ligand","Journal of Materials Chemistry C","2016","4","","1589","1593","10.1039/C5TC04103A","","","0.710747","MoKα","","0.0873","0.0561","","","0.1375","0.148","","","","","","1.068","","","","has coordinates,has disorder","219327","2020-10-21","18:00:00",""
"7234576","41.918","0.008","23.335","0.005","41.805","0.008","90","","113.62","0.03","90","","37466","16","190","1","190","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C254 H320 Cd18 Cl6 N18 O94 Yb6 -","- C254 H320 Cd18 Cl6 N18 O94 Yb6 -","- C1016 H1280 Cd72 Cl24 N72 O376 Yb24 -","4","0.5","","Xiaoping Yang; Shiqing Wang; Lijie Zhang; Shaoming Huang; Zongping Li; Chengri Wang; Ting Zhu; Le Bo","First NIR luminescent polymeric high-nuclearity Cd-Ln nanoclusters from a long-chain Schiff base ligand","Journal of Materials Chemistry C","2016","4","","1589","1593","10.1039/C5TC04103A","","","0.710747","MoKα","","0.0598","0.0428","","","0.0986","0.1036","","","","","","1.05","","","","has coordinates,has disorder","219327","2020-10-21","18:00:00",""
"7234577","10.4125","0.0002","12.731","0.0003","12.7806","0.0003","79.093","0.001","72.634","0.001","73.834","0.001","1542.61","0.06","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H26 S2 -","- C44 H26 S2 -","- C88 H52 S4 -","2","1","","Maxime Romain; Cassandre Quinton; Denis Tondelier; Bernard Geffroy; Olivier Jeannin; Joelle Rault-Berthelot; Cyril Poriel","Thioxanthene and dioxothioxanthene dihydroindeno[2,1-b]fluorenes: synthesis, properties and applications in green and sky blue phosphorescent OLEDs","Journal of Materials Chemistry C","2016","4","","1692","1703","10.1039/C5TC04039F","","x-ray","0.71073","MoKα","","0.0481","0.0377","","","0.1049","0.1238","","","","","","1.127","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234578","10.565","0.0009","14.5906","0.0015","14.793","0.0015","83.042","0.005","69.919","0.004","76.494","0.004","2080.4","0.4","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C46 H28 Cl6 O4 S2 -","- C46 H28 Cl6 O4 S2 -","- C92 H56 Cl12 O8 S4 -","2","1","","Maxime Romain; Cassandre Quinton; Denis Tondelier; Bernard Geffroy; Olivier Jeannin; Joelle Rault-Berthelot; Cyril Poriel","Thioxanthene and dioxothioxanthene dihydroindeno[2,1-b]fluorenes: synthesis, properties and applications in green and sky blue phosphorescent OLEDs","Journal of Materials Chemistry C","2016","4","","1692","1703","10.1039/C5TC04039F","","x-ray","0.71073","MoKα","","0.0591","0.0448","","","0.1249","0.1495","","","","","","1.129","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234579","17.5098","0.0006","29.3221","0.0007","29.4471","0.0009","90","","98.14","0.002","90","","14966.5","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C152 H143 Ag6 Cl13 Cu O10 P9 -","- C152 H143 Ag6 Cl13 Cu O10 P9 -","- C608 H572 Ag24 Cl52 Cu4 O40 P36 -","4","1","","Liang-Jin Xu; Xu Zhang; Jin-Yun Wang; Zhong-Ning Chen","High-efficiency solution-processed OLEDs based on cationic Ag6Cu heteroheptanuclear cluster complexes with aromatic acetylides","Journal of Materials Chemistry C","2016","4","","1787","1794","10.1039/C5TC03886C","","","0.71073","MoKα","","0.0957","0.0884","","","0.226","0.2343","","","","","","1.046","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234580","30.958","0.0002","30.958","0.0002","30.958","0.0002","90","","90","","90","","29670.1","0.3","293","2","293","2","","","","","","","","8","P a -3","-P 2ac 2ab 3","205","","","","- C149 H137 Ag6 Cl7 Cu O4 P9 S6 -","- C146 H131 Ag6 Cl0.5 Cu O2 P9 S6 -","- C1168 H1048 Ag48 Cl4 Cu8 O16 P72 S48 -","8","0.333333","","Liang-Jin Xu; Xu Zhang; Jin-Yun Wang; Zhong-Ning Chen","High-efficiency solution-processed OLEDs based on cationic Ag6Cu heteroheptanuclear cluster complexes with aromatic acetylides","Journal of Materials Chemistry C","2016","4","","1787","1794","10.1039/C5TC03886C","","","0.71073","MoKα","","0.0624","0.0614","","","0.1848","0.1862","","","","","","1.127","","","","has coordinates","219329","2020-10-21","18:00:00",""
"7234581","7.149","0.003","24.171","0.01","7.334","0.003","90","","90","","90","","1267.3","0.9","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 Cl4 Mn N2 -","- C5 H16 Cl4 Mn N2 -","- C20 H64 Cl16 Mn4 N8 -","4","0.5","","Xing-Hui Lv; Wei-Qiang Liao; Peng-Fei Li; Zhong-Xia Wang; Chen-Yu Mao; Yi Zhang","Dielectric and photoluminescence properties of a layered perovskite-type organic-inorganic hybrid phase transition compound: NH3(CH2)5NH3MnCl4","Journal of Materials Chemistry C","2016","4","","1881","1885","10.1039/C5TC04114G","","","0.71073","MoKα","","0.0323","0.0288","","","0.0789","0.0814","","","","","","1.013","","","","has coordinates","219330","2020-10-21","18:00:00",""
"7234582","23.94","0.02","7.191","0.005","7.399","0.006","90","","90","","90","","1273.8","1.7","333","2","333","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C5 H16 Cl4 Mn N2 -","- C5 H18 Cl4 Mn N2 -","- C20 H72 Cl16 Mn4 N8 -","4","0.25","","Xing-Hui Lv; Wei-Qiang Liao; Peng-Fei Li; Zhong-Xia Wang; Chen-Yu Mao; Yi Zhang","Dielectric and photoluminescence properties of a layered perovskite-type organic-inorganic hybrid phase transition compound: NH3(CH2)5NH3MnCl4","Journal of Materials Chemistry C","2016","4","","1881","1885","10.1039/C5TC04114G","","","0.71073","MoKα","","0.0312","0.0295","","","0.08","0.0814","","","","","","1.007","","","","has coordinates","219330","2020-10-21","18:00:00",""
"7234583","11.4422","0.0004","13.6499","0.0005","23.9769","0.0008","92.915","0.003","103.671","0.003","112.821","0.003","3311.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H138 Eu4 N4 O43 -","- C118 H108 Eu4 N4 O43 -","- C118 H108 Eu4 N4 O43 -","1","0.5","","Liang Li; Qiang Chen; Zhigang Niu; Xinhui Zhou; Tao Yang; Wei Huang","Lanthanide metal-organic frameworks assembled from a fluorene-based ligand: selective sensing of Pb2+ and Fe3+ ions","Journal of Materials Chemistry C","2016","4","","1900","1905","10.1039/C5TC04320D","","","0.71073","MoKα","","0.1221","0.1089","","","0.297","0.3022","","","","","","1.224","","","","has coordinates","219331","2020-10-21","18:00:00",""
"7234584","11.4957","0.0004","13.6804","0.0004","23.9693","0.0008","76.328","0.003","76.214","0.003","66.917","0.003","3324.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H138 Gd4 N4 O43 -","- C118 H108 Gd4 N4 O43 -","- C118 H108 Gd4 N4 O43 -","1","0.5","","Liang Li; Qiang Chen; Zhigang Niu; Xinhui Zhou; Tao Yang; Wei Huang","Lanthanide metal-organic frameworks assembled from a fluorene-based ligand: selective sensing of Pb2+ and Fe3+ ions","Journal of Materials Chemistry C","2016","4","","1900","1905","10.1039/C5TC04320D","","","0.71073","MoKα","","0.0781","0.0455","","","0.1085","0.1189","","","","","","1.03","","","","has coordinates","219331","2020-10-21","18:00:00",""
"7234585","11.4087","0.0008","13.6584","0.0008","24.023","0.0012","93.171","0.004","103.627","0.005","112.671","0.006","3312","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H138 N4 O43 Sm4 -","- C118 H108 N4 O43 Sm4 -","- C118 H108 N4 O43 Sm4 -","1","0.5","","Liang Li; Qiang Chen; Zhigang Niu; Xinhui Zhou; Tao Yang; Wei Huang","Lanthanide metal-organic frameworks assembled from a fluorene-based ligand: selective sensing of Pb2+ and Fe3+ ions","Journal of Materials Chemistry C","2016","4","","1900","1905","10.1039/C5TC04320D","","","0.71073","MoKα","","0.1113","0.0899","","","0.2464","0.2595","","","","","","1.225","","","","has coordinates","219331","2020-10-21","18:00:00",""
"7234586","11.4646","0.0004","13.6288","0.0005","23.7978","0.0007","92.929","0.003","103.548","0.003","112.494","0.003","3298.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H138 N4 O43 Tb4 -","- C118 H108 N4 O43 Tb4 -","- C118 H108 N4 O43 Tb4 -","1","0.5","","Liang Li; Qiang Chen; Zhigang Niu; Xinhui Zhou; Tao Yang; Wei Huang","Lanthanide metal-organic frameworks assembled from a fluorene-based ligand: selective sensing of Pb2+ and Fe3+ ions","Journal of Materials Chemistry C","2016","4","","1900","1905","10.1039/C5TC04320D","","","0.71073","MoKα","","0.0617","0.0503","","","0.1269","0.1314","","","","","","1.23","","","","has coordinates","219331","2020-10-21","18:00:00",""
"7234587","7.3303","0.0002","23.9278","0.0007","17.5078","0.0006","90","","99.1818","0.0017","90","","3031.49","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","protonated BTImP","","- C35 H28 Cl N3 O3 S -","- C35 H28 Cl N3 O3 S -","- C140 H112 Cl4 N12 O12 S4 -","4","1","","Ken-ichi Sakai; Saki Tsuchiya; Takemitsu Kikuchi; Tomoyuki Akutagawa","An ESIPT fluorophore with a switchable intramolecular hydrogen bond for applications in solid-state fluorochromism and white light generation","Journal of Materials Chemistry C","2016","4","","2011","2016","10.1039/C5TC04290A","","","1.54187","CuKα","","0.1729","0.1044","","","0.2405","0.3273","","","","","","0.976","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234588","9.809","0.0003","12.1454","0.0003","15.3153","0.0004","110.622","0.0015","90.1616","0.0017","109.23","0.0014","1597.74","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","BTImP","","- C39 H33 N3 O4 S -","- C39 H33 N3 O4 S -","- C78 H66 N6 O8 S2 -","2","1","","Ken-ichi Sakai; Saki Tsuchiya; Takemitsu Kikuchi; Tomoyuki Akutagawa","An ESIPT fluorophore with a switchable intramolecular hydrogen bond for applications in solid-state fluorochromism and white light generation","Journal of Materials Chemistry C","2016","4","","2011","2016","10.1039/C5TC04290A","","","1.54187","CuKα","","0.0937","0.0661","","","0.1417","0.1624","","","","","","0.959","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234589","8.7593","0.0004","13.946","0.0005","15.6865","0.0005","90","","95.93","0.003","90","","1905.96","0.13","110","2","110","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H64 O6 P2 Ru -","- C32 H64 O6 P2 Ru -","- C64 H128 O12 P4 Ru2 -","2","0.5","","Janine Jeschke; Stefan Mockel; Marcus Korb; Tobias Ruffer; Khaybar Assim; Marcel Melzer; Gordon Herwig; Colin Georgi; Stefan E. Schulz; Heinrich Lang","Chemical vapor deposition of ruthenium-based layers by a single-source approach","Journal of Materials Chemistry C","2016","4","","2319","2328","10.1039/C5TC03930D","","","0.71073","MoKα","","0.0376","0.0318","","","0.0696","0.0715","","","","","","1.082","","","","has coordinates","219333","2020-10-21","18:00:00",""
"7234590","22.4889","0.0008","9.0891","0.0004","38.7408","0.0012","90","","102.185","0.003","90","","7740.4","0.5","109.95","0.1","110","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H68 O6 P2 Ru -","- C34 H68 O6 P2 Ru -","- C272 H544 O48 P16 Ru8 -","8","1","","Janine Jeschke; Stefan Mockel; Marcus Korb; Tobias Ruffer; Khaybar Assim; Marcel Melzer; Gordon Herwig; Colin Georgi; Stefan E. Schulz; Heinrich Lang","Chemical vapor deposition of ruthenium-based layers by a single-source approach","Journal of Materials Chemistry C","2016","4","","2319","2328","10.1039/C5TC03930D","","","0.71073","MoKα","","0.0339","0.0272","","","0.0625","0.0652","","","","","","1.047","","","","has coordinates","219333","2020-10-21","18:00:00",""
"7234591","8.3401","0.0008","31.639","0.003","15.0063","0.0016","90","","91.517","0.011","90","","3958.4","0.7","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H64 O8 P2 Ru -","- C32 H64 O8 P2 Ru -","- C128 H256 O32 P8 Ru4 -","4","0.5","","Janine Jeschke; Stefan Mockel; Marcus Korb; Tobias Ruffer; Khaybar Assim; Marcel Melzer; Gordon Herwig; Colin Georgi; Stefan E. Schulz; Heinrich Lang","Chemical vapor deposition of ruthenium-based layers by a single-source approach","Journal of Materials Chemistry C","2016","4","","2319","2328","10.1039/C5TC03930D","","","1.54184","CuKα","","0.0511","0.0488","","","0.1303","0.1343","","","","","","1.042","","","","has coordinates","219333","2020-10-21","18:00:00",""
"7234592","18.0972","0.0004","14.0559","0.0003","15.2263","0.0003","90","","94.708","0.002","90","","3860.08","0.14","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H54 F6 O6 P2 Ru -","- C30 H54 F6 O6 P2 Ru -","- C120 H216 F24 O24 P8 Ru4 -","4","1","","Janine Jeschke; Stefan Mockel; Marcus Korb; Tobias Ruffer; Khaybar Assim; Marcel Melzer; Gordon Herwig; Colin Georgi; Stefan E. Schulz; Heinrich Lang","Chemical vapor deposition of ruthenium-based layers by a single-source approach","Journal of Materials Chemistry C","2016","4","","2319","2328","10.1039/C5TC03930D","","","0.71073","MoKα","","0.0489","0.0366","","","0.0779","0.0824","","","","","","1.023","","","","has coordinates,has disorder","219333","2020-10-21","18:00:00",""
"7234593","23.178","0.0005","9.2295","0.0003","38.6832","0.0008","90","","102.737","0.002","90","","8071.5","0.4","109.85","0.1","109.85","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H54 F10 O6 P2 Ru -","- C32 H54 F10 O6 P2 Ru -","- C256 H432 F80 O48 P16 Ru8 -","8","1","","Janine Jeschke; Stefan Mockel; Marcus Korb; Tobias Ruffer; Khaybar Assim; Marcel Melzer; Gordon Herwig; Colin Georgi; Stefan E. Schulz; Heinrich Lang","Chemical vapor deposition of ruthenium-based layers by a single-source approach","Journal of Materials Chemistry C","2016","4","","2319","2328","10.1039/C5TC03930D","","","0.71073","MoKα","","0.0361","0.0307","","","0.0781","0.0811","","","","","","1.041","","","","has coordinates","219333","2020-10-21","18:00:00",""
"7234594","17.656","0.006","5.5064","0.0019","15.448","0.006","90","","90.25","0.02","90","","1501.9","0.9","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DTID-Hep2, Form 1","2,6-di(thiophen-2-yl)-s-indacene-1,5-dione-3,7-diyl diheptanoate","","- C60 H40 N O S -","- C68 H64 O12 S4 -","- C68 H64 O12 S4 -","1","0.25","","Xiaoqin Shen; Yonghao Zheng; Fred Wudl","Thermally induced reversible solid-state transformation of novel s-indacene 1,3,5,7-tetraone derivatives","Journal of Materials Chemistry C","2016","4","","2427","2431","10.1039/C5TC03953C","","","0.71073","MoKα","","0.1628","0.0742","","","0.0999","0.1065","","","","","","1.743","","","","has coordinates","219334","2020-10-21","18:00:00",""
"7234595","31.156","0.005","6.3506","0.0009","18.772","0.003","90","","124.84","0.011","90","","3048.4","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DTID-Hep2 Form 2","2,6-di(thiophen-2-yl)-s-indacene-1,5-dione-3,7-diyl diheptanoate","","- C34 H34 O6 S2 -","- C33.544 H10 O6 S1.544 -","- C134.176 H40 O24 S6.176 -","4","0.5","","Xiaoqin Shen; Yonghao Zheng; Fred Wudl","Thermally induced reversible solid-state transformation of novel s-indacene 1,3,5,7-tetraone derivatives","Journal of Materials Chemistry C","2016","4","","2427","2431","10.1039/C5TC03953C","","","0.71073","MoKα","","0.1476","0.0808","","","0.2027","0.239","","","","","","1","","","","has coordinates","219334","2020-10-21","18:00:00",""
"7234596","20.427","0.018","28.01","0.03","5.26","0.005","90","","90","","90","","3010","5","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","iso-DTID-Hep2","3,5-dioxo-2,6-di(thiophen-2-yl)-3,5-dihydro-s-indacene-1,7-diyl diheptanoate","","- C34 H34 O6 S2 -","- C34 H33 O6 S2 -","- C136 H132 O24 S8 -","4","1","","Xiaoqin Shen; Yonghao Zheng; Fred Wudl","Thermally induced reversible solid-state transformation of novel s-indacene 1,3,5,7-tetraone derivatives","Journal of Materials Chemistry C","2016","4","","2427","2431","10.1039/C5TC03953C","","","0.71073","MoKα","","0.139","0.0686","","","0.1169","0.1341","","","","","","1.12","","","","has coordinates","219334","2020-10-21","18:00:00",""
"7234618","16.469","0.002","15.5386","0.0012","14.54","0.003","90","","117.5","0.019","90","","3300.4","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 Mg2 N2 O14 -","- C34 H32 Mg2 N2 O14 -","- C136 H128 Mg8 N8 O56 -","4","0.5","","Zhao-Feng Wu; Bin Tan; Zai-Lai Xie; Jing-Jing Fu; Xiao-Ying Huang","A photochromic dual-functional Mg-CP exhibits white-emission after modification with CuI","Journal of Materials Chemistry C","2016","4","","2438","2441","10.1039/C6TC00244G","","","0.71073","MoKα","","0.0768","0.0586","","","0.1587","0.1727","","","","","","1.017","","","","has coordinates","219354","2020-10-21","18:00:00",""
"7234619","6.2039","0.0004","12.3689","0.001","42.218","0.004","90","","90","","90","","3239.6","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Amino-BODIPY","Ammonia-BODIPY","","- C15 H6 B Br F7 N3 -","- C15 H6 B Br F7 N3 -","- C120 H48 B8 Br8 F56 N24 -","8","1","","Masood Ayoub Kaloo; Adiki Raja Sekhar; R. V. Ramana Reddy; Ramya Sunder Raman; Jeyaraman Sankar","A facile and visual approach for the detection of trace level ammonia vapours under ambient conditions","Journal of Materials Chemistry C","2016","4","","2452","2456","10.1039/C6TC00426A","","","0.71073","MoKα","","0.0994","0.0507","","","0.1089","0.1276","","","","","","1.02","","","","has coordinates","219355","2020-10-21","18:00:00",""
"7234620","9.765","0.0012","18.091","0.002","11.2978","0.0015","90","","91.058","0.002","90","","1995.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H13 Br F4 O3 -","- C23 H13 Br F4 O3 -","- C92 H52 Br4 F16 O12 -","4","1","","Shuzhen Li; Yanjun Lin; Dongpeng Yan","Two-component molecular cocrystals of 9-acetylanthracene with highly tunable one-/two-photon fluorescence and aggregation induced emission","Journal of Materials Chemistry C","2016","4","","2527","2534","10.1039/C6TC00067C","","","0.71073","MoKα","","0.083","0.0495","","","0.127","0.1482","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234621","14.4098","0.0014","8.1627","0.0006","17.1171","0.0011","90","","95.71","0.007","90","","2003.4","0.3","100.6","","100.6","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 N4 O -","- C26 H14 N4 O -","- C104 H56 N16 O4 -","4","1","","Shuzhen Li; Yanjun Lin; Dongpeng Yan","Two-component molecular cocrystals of 9-acetylanthracene with highly tunable one-/two-photon fluorescence and aggregation induced emission","Journal of Materials Chemistry C","2016","4","","2527","2534","10.1039/C6TC00067C","","","0.7107","MoKα","","0.0978","0.0536","","","0.0866","0.1061","","","","","","1.012","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234622","7.912","0.005","14.265","0.009","16.133","0.01","90","","94.637","0.012","90","","1815","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 F4 O3 -","- C22 H14 F4 O3 -","- C88 H56 F16 O12 -","4","1","","Shuzhen Li; Yanjun Lin; Dongpeng Yan","Two-component molecular cocrystals of 9-acetylanthracene with highly tunable one-/two-photon fluorescence and aggregation induced emission","Journal of Materials Chemistry C","2016","4","","2527","2534","10.1039/C6TC00067C","","","0.71073","MoKα","","0.0904","0.0454","","","0.1064","0.1277","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234623","11.5602","0.0007","13.855","0.0005","13.7535","0.0007","90","","113.907","0.006","90","","2013.9","0.2","103.4","","103.4","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H12 F8 O -","- C26 H12 F8 O -","- C104 H48 F32 O4 -","4","1","","Shuzhen Li; Yanjun Lin; Dongpeng Yan","Two-component molecular cocrystals of 9-acetylanthracene with highly tunable one-/two-photon fluorescence and aggregation induced emission","Journal of Materials Chemistry C","2016","4","","2527","2534","10.1039/C6TC00067C","","","0.7107","MoKα","","0.0722","0.0473","","","0.1047","0.119","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234624","9.304","0.0019","16.24","0.003","19.48","0.004","72.15","0.03","85.46","0.03","89.18","0.03","2792.7","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 F6 Ir N6 P -","- C60 H66 F6 Ir N6 P -","- C120 H132 F12 Ir2 N12 P2 -","2","1","","Zhongming Song; Rui Liu; Yuhao Li; Hong Shi; Jinyang Hu; Xiao Cai; Hongjun Zhu","AIE-active Ir(iii) complexes with tunable emissions, mechanoluminescence and their application for data security protection","Journal of Materials Chemistry C","2016","4","","2553","2559","10.1039/C6TC00237D","","","0.71073","MoKα","","0.0985","0.0671","","","0.1529","0.1689","","","","","","1.003","","","","has coordinates","219357","2020-10-21","18:00:00",""
"7234625","10.2152","0.0002","10.8813","0.0002","15.7154","0.0002","96.105","0.001","104.356","0.001","104.287","0.002","1613.63","0.05","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H29 F2 N4 P Pt -","- C35 H29 F2 N4 P Pt -","- C70 H58 F4 N8 P2 Pt2 -","2","1","","Jan Sanning; Linda Stegemann; Pascal R. Ewen; Christian Schwermann; Constantin G. Daniliuc; Dongdong Zhang; Na Lin; Lian Duan; Daniel Wegner; Nikos L. Doltsinis; Cristian A. Strassert","Colour-tunable asymmetric cyclometalated Pt(ii) complexes and STM-assisted stability assessment of ancillary ligands for OLEDs","Journal of Materials Chemistry C","2016","4","","2560","2565","10.1039/C6TC00093B","","","0.71073","MoKα","","0.0479","0.042","","","0.0946","0.0979","","","","","","1.04","","","","has coordinates","219358","2020-10-21","18:00:00",""
"7234626","21.2263","0.0002","18.317","0.0003","16.6102","0.0002","90","","111.06","0.001","90","","6026.71","0.14","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H37 F2 N5 O Pt -","- C31 H37 F2 N5 O Pt -","- C248 H296 F16 N40 O8 Pt8 -","8","1","","Jan Sanning; Linda Stegemann; Pascal R. Ewen; Christian Schwermann; Constantin G. Daniliuc; Dongdong Zhang; Na Lin; Lian Duan; Daniel Wegner; Nikos L. Doltsinis; Cristian A. Strassert","Colour-tunable asymmetric cyclometalated Pt(ii) complexes and STM-assisted stability assessment of ancillary ligands for OLEDs","Journal of Materials Chemistry C","2016","4","","2560","2565","10.1039/C6TC00093B","","","0.71073","MoKα","","0.0443","0.0345","","","0.0795","0.0871","","","","","","1.038","","","","has coordinates,has disorder","219358","2020-10-21","18:00:00",""
"7234627","24.0158","0.001","3.6946","0.0001","24.1833","0.0008","90","","117.592","0.001","90","","1901.71","0.11","101","2","101","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 F2 N2 -","- C12 H6 F2 N2 -","- C96 H48 F16 N16 -","8","2","","Jan Sanning; Linda Stegemann; Pascal R. Ewen; Christian Schwermann; Constantin G. Daniliuc; Dongdong Zhang; Na Lin; Lian Duan; Daniel Wegner; Nikos L. Doltsinis; Cristian A. Strassert","Colour-tunable asymmetric cyclometalated Pt(ii) complexes and STM-assisted stability assessment of ancillary ligands for OLEDs","Journal of Materials Chemistry C","2016","4","","2560","2565","10.1039/C6TC00093B","","","0.71073","MoKα","","0.0507","0.036","","","0.0816","0.088","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234628","13.0779","0.0006","6.7374","0.0003","14.8646","0.0007","90","","90","","90","","1309.74","0.1","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C16 H12 N4 -","- C16 H12 N4 -","- C64 H48 N16 -","4","0.5","","Yang Zhang; Jaume Garcia-Amoros; Burjor Captain; Francisco M. Raymo","A fluorescent and halochromic indolizine switch","Journal of Materials Chemistry C","2016","4","","2744","2747","10.1039/C5TC03331D","","","0.71073","MoKα","","0.042","0.0377","","","0.1014","0.1074","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234629","8.601","0.0004","21.0213","0.001","11.9369","0.0006","90","","104.717","0.001","90","","2087.43","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 F6 N4 O4 -","- C20 H14 F6 N4 O4 -","- C80 H56 F24 N16 O16 -","4","1","","Yang Zhang; Jaume Garcia-Amoros; Burjor Captain; Francisco M. Raymo","A fluorescent and halochromic indolizine switch","Journal of Materials Chemistry C","2016","4","","2744","2747","10.1039/C5TC03331D","","","0.71073","MoKα","","0.0493","0.0381","","","0.0951","0.1029","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234630","9.6963","0.0013","32.629","0.004","11.449","0.0016","90","","113.025","0.002","90","","3333.7","0.8","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","DAC-TP","6,12-bis-(10-[1,1';3',1'']terphenyl-5'-yl-anthracen-9-yl)-chrysene","","- C94 H60 Cl4 -","- C94 H60 Cl4 -","- C188 H120 Cl8 -","2","0.5","","Jaehyun Lee; Hyocheol Jung; Hwangyu Shin; Joonghan Kim; Daisuke Yokoyama; Hidetaka Nishimura; Atsushi Wakamiya; Jongwook Park","Excimer emission based on the control of molecular structure and intermolecular interactions","Journal of Materials Chemistry C","2016","4","","2784","2792","10.1039/C5TC03289J","","","0.71073","MoKa","","0.0838","0.0467","","","0.1049","0.1334","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234631","7.558","0.002","13.561","0.003","14.948","0.004","88.586","0.011","88.421","0.012","89.548","0.011","1531","0.7","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","2","","Abdelhamid Ghodbane; W. Brett Fellows; John R. Bright; Debashree Ghosh; Nathalie Saffon; Laren M. Tolbert; Suzanne Fery-Forgues; Kyril M. Solntsev","Effects of the benzoxazole group on green fluorescent protein chromophore crystal structure and solid state photophysics","Journal of Materials Chemistry C","2016","4","","2793","2801","10.1039/C5TC03776J","","","0.71073","MoKα","","0.2605","0.1283","","","0.2928","0.362","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234632","4.6778","0.0005","34.671","0.004","11.6713","0.0016","90","","101.338","0.006","90","","1856","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C88 H84 N12 O8 -","4","1","","Abdelhamid Ghodbane; W. Brett Fellows; John R. Bright; Debashree Ghosh; Nathalie Saffon; Laren M. Tolbert; Suzanne Fery-Forgues; Kyril M. Solntsev","Effects of the benzoxazole group on green fluorescent protein chromophore crystal structure and solid state photophysics","Journal of Materials Chemistry C","2016","4","","2793","2801","10.1039/C5TC03776J","","","0.71073","MoKα","","0.1597","0.0562","","","0.1195","0.1517","","","","","","0.942","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234633","7.4065","0.0003","22.5576","0.0007","12.0964","0.0004","90","","95.776","0.002","90","","2010.72","0.12","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C92 H92 N12 O8 -","4","1","","Abdelhamid Ghodbane; W. Brett Fellows; John R. Bright; Debashree Ghosh; Nathalie Saffon; Laren M. Tolbert; Suzanne Fery-Forgues; Kyril M. Solntsev","Effects of the benzoxazole group on green fluorescent protein chromophore crystal structure and solid state photophysics","Journal of Materials Chemistry C","2016","4","","2793","2801","10.1039/C5TC03776J","","","0.71073","MoKα","","0.1046","0.0545","","","0.1315","0.157","","","","","","1.015","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234634","25.4404","0.0009","7.3304","0.0003","13.9803","0.0004","90","","98.003","0.001","90","","2581.77","0.16","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 N3 O2 -","- C30 H37 N3 O2 -","- C120 H148 N12 O8 -","4","1","","Abdelhamid Ghodbane; W. Brett Fellows; John R. Bright; Debashree Ghosh; Nathalie Saffon; Laren M. Tolbert; Suzanne Fery-Forgues; Kyril M. Solntsev","Effects of the benzoxazole group on green fluorescent protein chromophore crystal structure and solid state photophysics","Journal of Materials Chemistry C","2016","4","","2793","2801","10.1039/C5TC03776J","","","0.71073","MoKα","","0.0681","0.0396","","","0.0854","0.0961","","","","","","1.034","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234635","6.5345","0.0013","13.047","0.003","24.3","0.005","90","","95.76","0.03","90","","2061.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 B F2 N2 O -","- C25 H19 B F2 N2 O -","- C100 H76 B4 F8 N8 O4 -","4","1","","Zhenqi Zhang; Zhu Wu; Jingbo Sun; Boqi Yao; Pengchong Xue; Ran Lu","beta-Iminoenolate boron complex with terminal triphenylamine exhibiting polymorphism and mechanofluorochromism","Journal of Materials Chemistry C","2016","4","","2854","2861","10.1039/C5TC02386F","","","0.71073","MoKα","","0.0691","0.0487","","","0.1088","0.1204","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234636","10.093","0.0007","10.8435","0.0006","16.7973","0.001","84.075","0.005","86.526","0.005","67.905","0.006","1693.8","0.2","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H33 N3 -","- C46 H33 N3 -","- C92 H66 N6 -","2","1","","Ming Chen; Han Nie; Bo Song; Lingzhi Li; Jing Zhi Sun; Anjun Qin; Ben Zhong Tang","Triphenylamine-functionalized tetraphenylpyrazine: facile preparation and multifaceted functionalities","Journal of Materials Chemistry C","2016","4","","2901","2908","10.1039/C5TC03299G","","","0.71073","MoKα","","0.0954","0.0535","","","0.1193","0.1496","","","","","","1.028","","","","has coordinates","219363","2020-10-21","18:00:00",""
"7234637","23.5825","0.0014","23.5825","0.0014","6.2166","0.0005","90","","90","","90","","3457.3","0.4","296","2","296","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C10 H9 N3 -","- C10 H9 N3 -","- C160 H144 N48 -","16","1","","Ajith R. Mallia; Ramarani Sethy; Vinayak Bhat; Mahesh Hariharan","Crystallization induced enhanced emission in conformational polymorphs of a rotationally flexible molecule","Journal of Materials Chemistry C","2016","4","","2931","2935","10.1039/C5TC03188E","","","0.71073","MoKα","","0.0511","0.0418","","","0.1206","0.1375","","","","","","1.144","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234638","15.2009","0.0019","9.7035","0.0011","12.0827","0.0015","90","","90","","90","","1782.2","0.4","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C10 H9 N3 -","- C10 H9 N3 -","- C80 H72 N24 -","8","1","","Ajith R. Mallia; Ramarani Sethy; Vinayak Bhat; Mahesh Hariharan","Crystallization induced enhanced emission in conformational polymorphs of a rotationally flexible molecule","Journal of Materials Chemistry C","2016","4","","2931","2935","10.1039/C5TC03188E","","","0.71073","MoKα","","0.0743","0.0511","","","0.1385","0.163","","","","","","1.086","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234639","18.26","0.002","18.26","0.002","5.0477","0.0008","90","","90","","120","","1457.6","0.3","296","2","296","2","","","","","","","","3","P 65","P 65","170","","","","- C10 H9 N3 -","- C10 H9 N3 -","- C60 H54 N18 -","6","1","","Ajith R. Mallia; Ramarani Sethy; Vinayak Bhat; Mahesh Hariharan","Crystallization induced enhanced emission in conformational polymorphs of a rotationally flexible molecule","Journal of Materials Chemistry C","2016","4","","2931","2935","10.1039/C5TC03188E","","","0.71073","MoKα","","0.0923","0.053","","","0.1471","0.1777","","","","","","1.132","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234640","9.5341","0.0003","14.4282","0.0004","18.4781","0.0004","85.0625","0.0017","77.5714","0.0016","80.3446","0.0013","2443.82","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H70 Br O2 P S2 -","- C53 H70 Br O2 P S2 -","- C106 H140 Br2 O4 P2 S4 -","2","1","","Zisu Wang; Benjamin S. Gelfand; Pengcheng Dong; Simon Trudel; Thomas Baumgartner","Tuning the aggregation-induced enhanced emission behavior and self-assembly of phosphole-lipids","Journal of Materials Chemistry C","2016","4","","2936","2944","10.1039/C5TC03311J","","","0.71073","MoKα","","0.1021","0.0682","","","0.1164","0.1309","","","","","","1.117","","","","has coordinates,has disorder","219365","2020-10-21","18:00:00",""
"7234641","14.689","0.005","18.897","0.005","15.282","0.005","90","0.005","98.117","0.005","90","0.005","4199","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H43 N5 -","- C52 H43 N5 -","- C208 H172 N20 -","4","1","","Yuyang Zhang; Huifang Li; Gaobin Zhang; Xianyun Xu; Lin Kong; Xutang Tao; Yupeng Tian; Jiaxiang Yang","Aggregation-induced emission enhancement and mechanofluorochromic properties of alpha-cyanostilbene functionalized tetraphenyl imidazole derivatives","Journal of Materials Chemistry C","2016","4","","2971","2978","10.1039/C5TC03348A","","","0.71069","MoKα","","0.1589","0.0614","","","0.1481","0.2073","","","","","","0.94","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234642","9.8096","0.0014","14.224","0.002","14.627","0.002","88.198","0.002","83.699","0.002","71.647","0.002","1925.4","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H34 N4 O -","- C48 H34 N4 O -","- C96 H68 N8 O2 -","2","1","","Yuyang Zhang; Huifang Li; Gaobin Zhang; Xianyun Xu; Lin Kong; Xutang Tao; Yupeng Tian; Jiaxiang Yang","Aggregation-induced emission enhancement and mechanofluorochromic properties of alpha-cyanostilbene functionalized tetraphenyl imidazole derivatives","Journal of Materials Chemistry C","2016","4","","2971","2978","10.1039/C5TC03348A","","","0.71073","MoKα","","0.1605","0.0784","","","0.2192","0.2577","","","","","","1.193","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234643","11.9266","0.0011","9.3889","0.0008","15.6279","0.0014","90","","97.498","0.001","90","","1735","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2-(bis(4-dimethylaminophenyl)methylene)malonitrile","1,1-Dicyano-2,2-bis(4-dimethylaminophenyl)ethylene","","- C20 H20 N4 -","- C20 H20 N4 -","- C80 H80 N16 -","4","0.5","","Chiara Botta; Sara Benedini; Lucia Carlucci; Alessandra Forni; Daniele Marinotto; Andrea Nitti; Dario Pasini; Stefania Righetto; Elena Cariati","Polymorphism-dependent aggregation induced emission of a push-pull dye and its multi-stimuli responsive behavior","Journal of Materials Chemistry C","2016","4","","2979","2989","10.1039/C5TC03352G","","","0.71073","MoKα","","0.062","0.0428","","","0.1112","0.1242","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234644","8.492","0.0007","13.9497","0.0011","15.075","0.0014","90","","100.062","0.001","90","","1758.3","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2-(bis(4-dimethylaminophenyl)methylene)malonitrile","1,1-Dicyano-2,2-bis(4-dimethylaminophenyl)ethylene","","- C20 H20 N4 -","- C20 H20 N4 -","- C80 H80 N16 -","4","0.5","","Chiara Botta; Sara Benedini; Lucia Carlucci; Alessandra Forni; Daniele Marinotto; Andrea Nitti; Dario Pasini; Stefania Righetto; Elena Cariati","Polymorphism-dependent aggregation induced emission of a push-pull dye and its multi-stimuli responsive behavior","Journal of Materials Chemistry C","2016","4","","2979","2989","10.1039/C5TC03352G","","","0.71073","MoKα","","0.0686","0.0462","","","0.1265","0.1429","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234645","9.7959","0.0012","9.9417","0.0012","17.678","0.002","90","","94.478","0.001","90","","1716.4","0.4","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","2-(bis(4-dimethylaminophenyl)methylene)malonitrile","1,1-Dicyano-2,2-bis(4-dimethylaminophenyl)ethylene","","- C20 H20 N4 -","- C20 H20 N4 -","- C80 H80 N16 -","4","2","","Chiara Botta; Sara Benedini; Lucia Carlucci; Alessandra Forni; Daniele Marinotto; Andrea Nitti; Dario Pasini; Stefania Righetto; Elena Cariati","Polymorphism-dependent aggregation induced emission of a push-pull dye and its multi-stimuli responsive behavior","Journal of Materials Chemistry C","2016","4","","2979","2989","10.1039/C5TC03352G","","","0.71073","MoKα","","0.0788","0.0489","","","0.0982","0.1096","","","","","","1.01","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234646","12.5444","0.0008","22.3085","0.0014","7.5898","0.0005","90","","105.35","0.001","90","","2048.2","0.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(bis(4-dimethylaminophenyl)methylene)malonitrile","1,1-Dicyano-2,2-bis(4-dimethylaminophenyl)ethylene dichloromethane solvate","","- C21 H22 Cl2 N4 -","- C21 H22 Cl2 N4 -","- C84 H88 Cl8 N16 -","4","1","","Chiara Botta; Sara Benedini; Lucia Carlucci; Alessandra Forni; Daniele Marinotto; Andrea Nitti; Dario Pasini; Stefania Righetto; Elena Cariati","Polymorphism-dependent aggregation induced emission of a push-pull dye and its multi-stimuli responsive behavior","Journal of Materials Chemistry C","2016","4","","2979","2989","10.1039/C5TC03352G","","","0.71073","MoKα","","0.0704","0.0541","","","0.1253","0.136","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234650","15.751","0.008","14.741","0.007","8.621","0.004","90","","90","","90","","2001.7","1.7","296","2","296","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C24 H19 N O4 -","- C24 H19 N O4 -","- C96 H76 N4 O16 -","4","0.5","","Lin Kong; Yun Liu; Hui Wang; Xiao-he Tian; Qi-yu Chen; Yu-peng Tian; Sheng-li Li; Zhao-ming Xue; Jia-xiang Yang","Effect of solvent, pH and metal ions on the self-assembly process and optical properties of an A-pi-D-pi-A type triphenylamine carboxylic acid derivative","Journal of Materials Chemistry C","2016","4","","2990","3001","10.1039/C5TC03351A","","","0.71073","MoKα","","0.0585","0.0398","","","0.0981","0.1267","","","","","","1.09","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234651","16.4099","0.0017","6.9907","0.0007","16.3466","0.0017","90","","114.88","0.001","90","","1701.2","0.3","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,3,6,8-Tetramethylthiopyrene","Pyrene, 1,3,6,8-tetrakis(methylthio)-","","- C44 H34 S4 -","- C44 H34 S4 -","- C88 H68 S8 -","2","0.5","","Tarek H. El-Assaad; Manuel Auer; Raul Castaneda; Kassem M. Hallal; Fadi M. Jradi; Lorenzo Mosca; Rony S. Khnayzer; Digambara Patra; Tatiana V. Timofeeva; Jean-Luc Bredas; Emil J. W. List-Kratochvil; Brigitte Wex; Bilal R. Kaafarani","Tetraaryl pyrenes: photophysical properties, computational studies, crystal structures, and application in OLEDs","Journal of Materials Chemistry C","2016","4","","3041","3058","10.1039/C5TC02849C","","","0.71073","MoKα","","0.1097","0.0576","","","0.136","0.163","","","","","","1.019","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234652","3.914","0.003","11.932","0.01","27.87","0.02","90","","90.739","0.012","90","","1301.5","1.7","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Pyrene, 1,3,6,8-tetrakis(4-fluorophenyl)-","","- C40 H22 F4 -","- C40 H22 F4 -","- C80 H44 F8 -","2","0.5","","Tarek H. El-Assaad; Manuel Auer; Raul Castaneda; Kassem M. Hallal; Fadi M. Jradi; Lorenzo Mosca; Rony S. Khnayzer; Digambara Patra; Tatiana V. Timofeeva; Jean-Luc Bredas; Emil J. W. List-Kratochvil; Brigitte Wex; Bilal R. Kaafarani","Tetraaryl pyrenes: photophysical properties, computational studies, crystal structures, and application in OLEDs","Journal of Materials Chemistry C","2016","4","","3041","3058","10.1039/C5TC02849C","","","0.71073","MoKα","","0.1332","0.1071","","","0.2833","0.3119","","","","","","1.0639","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234653","4.795","0.005","14.347","0.014","28.88","0.03","90","","92.154","0.014","90","","1985","4","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Pyrene, 1,3,6,8-tetrakis[3,5-bis(trifluoromethyl)phenyl]-","","- C48 H18 F24 -","- C48 H18 F24 -","- C96 H36 F48 -","2","0.5","","Tarek H. El-Assaad; Manuel Auer; Raul Castaneda; Kassem M. Hallal; Fadi M. Jradi; Lorenzo Mosca; Rony S. Khnayzer; Digambara Patra; Tatiana V. Timofeeva; Jean-Luc Bredas; Emil J. W. List-Kratochvil; Brigitte Wex; Bilal R. Kaafarani","Tetraaryl pyrenes: photophysical properties, computational studies, crystal structures, and application in OLEDs","Journal of Materials Chemistry C","2016","4","","3041","3058","10.1039/C5TC02849C","","","0.71073","MoKα","","0.1607","0.0764","","","0.1668","0.2068","","","","","","1.005","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234654","15.87","0.03","7.203","0.012","19.66","0.03","90","","106.884","0.017","90","","2150","6","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Pyrene, 1,3,6,8-tetrakis(4-phenoxyphenyl)-","","- C64 H42 O4 -","- C64 H42 O4 -","- C128 H84 O8 -","2","0.5","","Tarek H. El-Assaad; Manuel Auer; Raul Castaneda; Kassem M. Hallal; Fadi M. Jradi; Lorenzo Mosca; Rony S. Khnayzer; Digambara Patra; Tatiana V. Timofeeva; Jean-Luc Bredas; Emil J. W. List-Kratochvil; Brigitte Wex; Bilal R. Kaafarani","Tetraaryl pyrenes: photophysical properties, computational studies, crystal structures, and application in OLEDs","Journal of Materials Chemistry C","2016","4","","3041","3058","10.1039/C5TC02849C","","","0.71073","MoKα","","0.0979","0.0557","","","0.1159","0.1365","","","","","","1.0903","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234655","13.688","0.003","8.4634","0.0016","10.987","0.002","90","","111.999","0.003","90","","1180.1","0.4","100.15","","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Thiophene, 2,2',2'',2'''-(1,3,6,8-pyrenetetrayl)tetrakis-","","- C32 H18 S4 -","- C32 H18 S4 -","- C64 H36 S8 -","2","0.5","","Tarek H. El-Assaad; Manuel Auer; Raul Castaneda; Kassem M. Hallal; Fadi M. Jradi; Lorenzo Mosca; Rony S. Khnayzer; Digambara Patra; Tatiana V. Timofeeva; Jean-Luc Bredas; Emil J. W. List-Kratochvil; Brigitte Wex; Bilal R. Kaafarani","Tetraaryl pyrenes: photophysical properties, computational studies, crystal structures, and application in OLEDs","Journal of Materials Chemistry C","2016","4","","3041","3058","10.1039/C5TC02849C","","","0.71073","MoKα","","0.0396","0.0335","","","0.0891","0.0931","","","","","","1.06","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234656","12.3292","0.0018","14.816","0.002","23.194","0.003","90","","90","","90","","4236.8","1","100.15","","100.15","","","","","","","","","2","P c a b","-P 2bc 2ac","61","","Pyrene, 1,3,6,8-tetrakis[4-(1,1-dimethylethyl)phenyl]-","","- C56 H58 -","- C56 H58 -","- C224 H232 -","4","0.5","","Tarek H. El-Assaad; Manuel Auer; Raul Castaneda; Kassem M. Hallal; Fadi M. Jradi; Lorenzo Mosca; Rony S. Khnayzer; Digambara Patra; Tatiana V. Timofeeva; Jean-Luc Bredas; Emil J. W. List-Kratochvil; Brigitte Wex; Bilal R. Kaafarani","Tetraaryl pyrenes: photophysical properties, computational studies, crystal structures, and application in OLEDs","Journal of Materials Chemistry C","2016","4","","3041","3058","10.1039/C5TC02849C","","","0.71073","MoKα","","0.061","0.0485","","","0.1296","0.1366","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234657","7.905","0.007","13.915","0.013","22.51","0.02","105.216","0.017","95.622","0.015","91.927","0.016","2373","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","yld_124","yld_124","","- C50 H63 F3 N4 O3 S2 -","- C50 H63 F3 N4 O3 S2 -","- C100 H126 F6 N8 O6 S4 -","2","1","","Wenwei Jin; Peter V. Johnston; Delwin L. Elder; Karl T. Manner; Kerry E. Garrett; Werner Kaminsky; Ruimin Xu; Bruce H. Robinson; Larry R. Dalton","Structure-function relationship exploration for enhanced thermal stability and electro-optic activity in monolithic organic NLO chromophores","Journal of Materials Chemistry C","2016","4","","3119","3124","10.1039/C6TC00358C","","","0.71073","MoKα","","0.2711","0.1484","","","0.3505","0.4243","","","","","","1.115","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234658","7.5283","0.0006","35.261","0.003","18.8417","0.0014","90","","90","","90","","5001.6","0.7","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2-(9H-carbazol-9-yl)-3,5,5-trimethylcyclohex-2-en-1-one","2-(carbazol-9-yl)-3,5,5-trimethylcycloh ex-2-en-1-one","","- C21 H21 N O -","- C21 H21 N O -","- C252 H252 N12 O12 -","12","1.5","","Wenwei Jin; Peter V. Johnston; Delwin L. Elder; Karl T. Manner; Kerry E. Garrett; Werner Kaminsky; Ruimin Xu; Bruce H. Robinson; Larry R. Dalton","Structure-function relationship exploration for enhanced thermal stability and electro-optic activity in monolithic organic NLO chromophores","Journal of Materials Chemistry C","2016","4","","3119","3124","10.1039/C6TC00358C","","","0.71073","MoKα","","0.0803","0.0715","","","0.1371","0.1414","","","","","","1.23","","","","has coordinates","219384","2020-10-21","18:00:00",""
"7234659","10.8186","0.0002","10.0198","0.0002","23.1493","0.0005","90","","103.09","0.001","90","","2444.18","0.09","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[(5-Bromo-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)methyl]-5- [(5-bromo-3,3-dimethyl-3H-indol-2-yl)methylene]-4-hydroxy-3-5 cyclopentene-1,2-dione","","- C27 H22 Br2 N2 O3 -","- C27 H22 Br2 N2 O3 -","- C108 H88 Br8 N8 O12 -","4","1","","A. Punzi; M. A. M. Capozzi; V. Fino; C. Carlucci; M. Suriano; E. Mesto; E. Schingaro; E. Orgiu; S. Bonacchi; T. Leydecker; P. Samori; R. Musio; G. M. Farinola","Croconaines as molecular materials for organic electronics: synthesis, solid state structure and use in transistor devices","Journal of Materials Chemistry C","2016","4","","3138","3142","10.1039/C6TC00264A","","","0.71073","MoKα","","0.0647","0.0417","","0.0914","0.0854","0.0914","","","","","","0.9696","","","","has coordinates","219385","2020-10-21","18:00:00",""
"7234660","11.0823","0.0003","14.6505","0.0005","18.1033","0.0006","66.188","0.002","81.891","0.002","72.294","0.002","2561.12","0.15","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C108 H96 N8 O12 -","4","2","","A. Punzi; M. A. M. Capozzi; V. Fino; C. Carlucci; M. Suriano; E. Mesto; E. Schingaro; E. Orgiu; S. Bonacchi; T. Leydecker; P. Samori; R. Musio; G. M. Farinola","Croconaines as molecular materials for organic electronics: synthesis, solid state structure and use in transistor devices","Journal of Materials Chemistry C","2016","4","","3138","3142","10.1039/C6TC00264A","","","0.71073","MoKα","","0.1105","0.0593","","0.1601","0.1514","0.1601","","","","","","0.9025","","","","has coordinates","219385","2020-10-21","18:00:00",""
"7234661","8.5477","0.0002","15.282","0.0003","13.6085","0.0003","90","","90.06","0.002","90","","1777.62","0.07","90","0.4","90","0.4","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H20 Mn2 N2 O12 -","- C10 H20 Mn2 N2 O12 -","- C40 H80 Mn8 N8 O48 -","4","1","","Miroslaw Maczka; Anna Gagor; Nathalia Leal Marinho Costa; Waldeci Paraguassu; Adam Sieradzki; Adam Pikul","Temperature- and pressure-induced phase transitions in the niccolite-type formate framework of [H3N(CH3)4NH3][Mn2(HCOO)6]","Journal of Materials Chemistry C","2016","4","","3185","3194","10.1039/C6TC00611F","","x-ray","0.71073","MoKα","","0.0281","0.0255","","","0.0539","0.0554","","","","","","1.032","","","","has coordinates","219386","2020-10-21","18:00:00",""
"7234662","8.5542","0.0002","15.299","0.0003","13.6149","0.0003","90","","90.1","0.002","90","","1781.79","0.07","159.99","0.17","159.99","0.17","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H20 Mn2 N2 O12 -","- C10 H20 Mn2 N2 O12 -","- C40 H80 Mn8 N8 O48 -","4","1","","Miroslaw Maczka; Anna Gagor; Nathalia Leal Marinho Costa; Waldeci Paraguassu; Adam Sieradzki; Adam Pikul","Temperature- and pressure-induced phase transitions in the niccolite-type formate framework of [H3N(CH3)4NH3][Mn2(HCOO)6]","Journal of Materials Chemistry C","2016","4","","3185","3194","10.1039/C6TC00611F","","x-ray","0.71073","MoKα","","0.0295","0.0256","","","0.0571","0.0603","","","","","","1.038","","","","has coordinates","219386","2020-10-21","18:00:00",""
"7234663","8.5685","0.0002","15.3292","0.0004","13.6602","0.0003","90","","90.226","0.002","90","","1794.23","0.07","345","2","345","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H20 Mn2 N2 O12 -","- C10 H18.804 Mn2 N2 O12 -","- C40 H75.216 Mn8 N8 O48 -","4","1","","Miroslaw Maczka; Anna Gagor; Nathalia Leal Marinho Costa; Waldeci Paraguassu; Adam Sieradzki; Adam Pikul","Temperature- and pressure-induced phase transitions in the niccolite-type formate framework of [H3N(CH3)4NH3][Mn2(HCOO)6]","Journal of Materials Chemistry C","2016","4","","3185","3194","10.1039/C6TC00611F","","x-ray","0.71073","MoKα","","0.0426","0.0307","","","0.0624","0.0669","","","","","","0.977","","","","has coordinates","219386","2020-10-21","18:00:00",""
"7234664","8.6962","0.0002","8.6962","0.0002","13.6572","0.0006","90","","90","","120","","894.44","0.05","360","2","360","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C10 H20 Mn2 N2 O12 -","- C9.9998 H19.9986 Mn2 N1.9998 O12 -","- C19.9996 H39.9972 Mn4 N3.9996 O24 -","2","0.166667","","Miroslaw Maczka; Anna Gagor; Nathalia Leal Marinho Costa; Waldeci Paraguassu; Adam Sieradzki; Adam Pikul","Temperature- and pressure-induced phase transitions in the niccolite-type formate framework of [H3N(CH3)4NH3][Mn2(HCOO)6]","Journal of Materials Chemistry C","2016","4","","3185","3194","10.1039/C6TC00611F","","x-ray","0.71073","MoKα","","0.0523","0.0478","","","0.1392","0.1429","","","","","","1.201","","","","has coordinates,has disorder","219386","2020-10-21","18:00:00",""
"7234665","8.5608","0.0002","15.3339","0.0003","13.6433","0.0003","90","","90.19","0.002","90","","1790.95","0.07","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H20 Mn2 N2 O12 -","- C10 H20 Mn2 N2 O12 -","- C40 H80 Mn8 N8 O48 -","4","1","","Miroslaw Maczka; Anna Gagor; Nathalia Leal Marinho Costa; Waldeci Paraguassu; Adam Sieradzki; Adam Pikul","Temperature- and pressure-induced phase transitions in the niccolite-type formate framework of [H3N(CH3)4NH3][Mn2(HCOO)6]","Journal of Materials Chemistry C","2016","4","","3185","3194","10.1039/C6TC00611F","","x-ray","0.71073","MoKα","","0.0347","0.0327","","","0.0823","0.0836","","","","","","1.1","","","","has coordinates","219386","2020-10-21","18:00:00",""
"7234666","10.976","0.005","18.029","0.005","9.697","0.005","90","","90.728","0.005","90","","1918.7","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-[5-(Diphenylamino)thiophen-2-yl]-1-(pyridin-3-yl)prop-2-en-1-one","","- C24 H18 N2 O S -","- C24 H18 N2 O S -","- C96 H72 N8 O4 S4 -","4","1","","Jingyun Tan; Yujin Zhang; Meirong Zhang; Xiaohe Tian; Yiming Wang; Shengli Li; Chuankui Wang; Hongping Zhou; Jiaxiang Yang; Yupeng Tian; Jieying Wu","Small molecules of chalcone derivatives with high two-photon absorption activities in the near-IR region","Journal of Materials Chemistry C","2016","4","","3256","3267","10.1039/C6TC00382F","","","0.71069","MoKα","","0.0583","0.0388","","","0.117","0.1377","","","","","","0.947","","","","has coordinates","219387","2020-10-21","18:00:00",""
"7234667","11.145","0.006","18.243","0.009","9.722","0.005","90","","90.995","0.006","90","","1976.4","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-3-(5-(diphenylamino)thiophen-2-yl)-1-phenylprop-2-en-1-one","","- C25 H19 N O S -","- C25 H19 N O S -","- C100 H76 N4 O4 S4 -","4","1","","Jingyun Tan; Yujin Zhang; Meirong Zhang; Xiaohe Tian; Yiming Wang; Shengli Li; Chuankui Wang; Hongping Zhou; Jiaxiang Yang; Yupeng Tian; Jieying Wu","Small molecules of chalcone derivatives with high two-photon absorption activities in the near-IR region","Journal of Materials Chemistry C","2016","4","","3256","3267","10.1039/C6TC00382F","","","0.71073","MoKα","","0.0726","0.0431","","","0.1092","0.123","","","","","","0.992","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234668","5.5078","0.0009","13.846","0.002","16.264","0.003","85.22","0.002","84.223","0.002","85.091","0.002","1226","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(E)-3-(5-(bis(4-ethoxyphenyl)amino)thiophen-2-yl)-1-phenylprop-2-en-1-one","","- C29 H27 N O3 S -","- C29 H27 N O3 S -","- C58 H54 N2 O6 S2 -","2","1","","Jingyun Tan; Yujin Zhang; Meirong Zhang; Xiaohe Tian; Yiming Wang; Shengli Li; Chuankui Wang; Hongping Zhou; Jiaxiang Yang; Yupeng Tian; Jieying Wu","Small molecules of chalcone derivatives with high two-photon absorption activities in the near-IR region","Journal of Materials Chemistry C","2016","4","","3256","3267","10.1039/C6TC00382F","","","0.71073","MoKα","","0.071","0.0481","","","0.1399","0.1616","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234669","7.406","0.005","11.831","0.009","14.142","0.01","89.231","0.009","81.249","0.009","89.949","0.009","1224.6","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(E)-3-(5-(bis(4-ethoxyphenyl)amino)thiophen-2-yl)-1- (pyridin-2-yl)prop-2-en-1-one","","- C28 H26 N2 O3 S -","- C28 H26 N2 O3 S -","- C56 H52 N4 O6 S2 -","2","1","","Jingyun Tan; Yujin Zhang; Meirong Zhang; Xiaohe Tian; Yiming Wang; Shengli Li; Chuankui Wang; Hongping Zhou; Jiaxiang Yang; Yupeng Tian; Jieying Wu","Small molecules of chalcone derivatives with high two-photon absorption activities in the near-IR region","Journal of Materials Chemistry C","2016","4","","3256","3267","10.1039/C6TC00382F","","","0.71073","MoKα","","0.0636","0.0421","","","0.0994","0.108","","","","","","0.97","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234670","9.185","0.004","11.757","0.005","12.715","0.005","100.884","0.006","101.591","0.005","106.3","0.005","1246.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-3-(5-(bis(4-ethoxyphenyl)amino)thiophen-2-yl)-1- (pyridin-3-yl)prop-2-en-1-one","","- C28 H26 N2 O3 S -","- C28 H26 N2 O3 S -","- C56 H52 N4 O6 S2 -","2","1","","Jingyun Tan; Yujin Zhang; Meirong Zhang; Xiaohe Tian; Yiming Wang; Shengli Li; Chuankui Wang; Hongping Zhou; Jiaxiang Yang; Yupeng Tian; Jieying Wu","Small molecules of chalcone derivatives with high two-photon absorption activities in the near-IR region","Journal of Materials Chemistry C","2016","4","","3256","3267","10.1039/C6TC00382F","","","0.71073","MoKα","","0.134","0.053","","","0.1083","0.1381","","","","","","0.931","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234671","10.931","0.005","18.464","0.005","9.657","0.005","90","0.005","90","0.005","90","0.005","1949.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-3-(5-(diphenylamino)thiophen-2-yl)-1-(pyridin-2-yl)prop-2-en-1-one","","- C24 H18 N2 O S -","- C24 H18 N2 O S -","- C96 H72 N8 O4 S4 -","4","1","","Jingyun Tan; Yujin Zhang; Meirong Zhang; Xiaohe Tian; Yiming Wang; Shengli Li; Chuankui Wang; Hongping Zhou; Jiaxiang Yang; Yupeng Tian; Jieying Wu","Small molecules of chalcone derivatives with high two-photon absorption activities in the near-IR region","Journal of Materials Chemistry C","2016","4","","3256","3267","10.1039/C6TC00382F","","","0.71069","MoKα","","0.1628","0.0724","","","0.1775","0.2062","","","","","","0.97","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234672","38.393","0.017","14.694","0.006","18.872","0.008","90","","95.907","0.01","90","","10590","8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H58 N14 O26 Zn4 -","- C39 H58 N14 O26 Zn4 -","- C312 H464 N112 O208 Zn32 -","8","1","","Hao Zhang; Tianlu Sheng; Shengmin Hu; Chao Zhuo; Ruibiao Fu; Yuehong Wen; Haoran Li; Xintao Wu","Confinement of an electron-capturing unit within an electron-donating framework for X-ray detection","Journal of Materials Chemistry C","2016","4","","3431","3436","10.1039/C6TC00116E","","","0.71073","MoKα","","0.1272","0.099","","","0.2357","0.2576","","","","","","1.066","","","","has coordinates","219388","2020-10-21","18:00:00",""
"7234679","6.0345","0.0003","7.6843","0.0004","22.6054","0.0016","92.827","0.007","96.554","0.007","90.103","0.006","1040.09","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","BSPAnt","","- C28 H22 S2 -","- C28 H22 S2 -","- C56 H44 S4 -","2","1","","Lijia Yan; Yang Zhao; Hongtao Yu; Zhao Hu; Yaowu He; Aiyuan Li; Osamu Goto; Chaoyi Yan; Ting Chen; Runfeng Chen; Yueh-Lin Loo; Dmitrii F. Perepichka; Hong Meng; Wei Huang","Influence of heteroatoms on the charge mobility of anthracene derivatives","Journal of Materials Chemistry C","2016","4","","3517","3522","10.1039/C6TC01088A","","","1.54178","CuKα","","0.1132","0.0952","","","0.2718","0.2984","","","","","","1.135","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234680","7.4376","0.0002","6.1629","0.0001","42.296","0.003","90","","90","","90","","1938.73","0.15","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","BOPAnt","","- C28 H22 O2 -","- C28 H22 O2 -","- C112 H88 O8 -","4","0.5","","Lijia Yan; Yang Zhao; Hongtao Yu; Zhao Hu; Yaowu He; Aiyuan Li; Osamu Goto; Chaoyi Yan; Ting Chen; Runfeng Chen; Yueh-Lin Loo; Dmitrii F. Perepichka; Hong Meng; Wei Huang","Influence of heteroatoms on the charge mobility of anthracene derivatives","Journal of Materials Chemistry C","2016","4","","3517","3522","10.1039/C6TC01088A","","","1.54178","CuKα","","0.0469","0.0405","","","0.1071","0.1114","","","","","","1.085","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234681","22.662","0.0015","7.7188","0.0001","6.0426","0.0001","90","","92.479","0.007","90","","1056","0.07","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","BEPAnt","","- C30 H26 -","- C30 H26 -","- C60 H52 -","2","0.5","","Lijia Yan; Yang Zhao; Hongtao Yu; Zhao Hu; Yaowu He; Aiyuan Li; Osamu Goto; Chaoyi Yan; Ting Chen; Runfeng Chen; Yueh-Lin Loo; Dmitrii F. Perepichka; Hong Meng; Wei Huang","Influence of heteroatoms on the charge mobility of anthracene derivatives","Journal of Materials Chemistry C","2016","4","","3517","3522","10.1039/C6TC01088A","","","1.54187","CuKα","","0.0799","0.071","","","0.1786","0.189","","","","","","1.101","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234682","9.4128","0.0002","10.2247","0.0002","22.8025","0.0006","90","","90","","90","","2194.58","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 N2 O -","- C28 H22 N2 O -","- C112 H88 N8 O4 -","4","1","","Vanga Mukundam; Kunchala Dhanunjayarao; Ramesh Mamidala; Krishnan Venkatasubbaiah","Synthesis, characterization and aggregation induced enhanced emission properties of tetraaryl pyrazole decorated cyclophosphazenes","Journal of Materials Chemistry C","2016","4","","3523","3530","10.1039/C6TC00909C","","","0.71073","MoKα","","0.1002","0.0502","","","0.1024","0.1294","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234683","12.6054","0.0003","17.2285","0.0004","18.9581","0.0005","64.294","0.001","89.501","0.001","80.523","0.001","3649.95","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H63 N7 O8.5 P3 -","- C82 H62 N7 O8.5 P3 -","- C164 H124 N14 O17 P6 -","2","1","","Vanga Mukundam; Kunchala Dhanunjayarao; Ramesh Mamidala; Krishnan Venkatasubbaiah","Synthesis, characterization and aggregation induced enhanced emission properties of tetraaryl pyrazole decorated cyclophosphazenes","Journal of Materials Chemistry C","2016","4","","3523","3530","10.1039/C6TC00909C","","","0.71073","MoKα","","0.1145","0.0705","","","0.2206","0.262","","","","","","1.045","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7234684","9.686","0.003","10.175","0.003","16.709","0.006","90","","102.177","0.005","90","","1609.7","0.9","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","6-p-Methoxyphenyl HPIP","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","2","","Toshiki Mutai; Tatsuya Ohkawa; Hideaki Shono; Koji Araki","The development of aryl-substituted 2-phenylimidazo[1,2-a]pyridines (PIP) with various colors of excited-state intramolecular proton transfer (ESIPT) luminescence in the solid state","Journal of Materials Chemistry C","2016","4","","3599","3606","10.1039/C6TC00376A","","","0.71075","MoKα","","0.0623","0.0419","","","0.078","0.0862","","","","","","0.917","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234685","11.24","0.001","12.113","0.001","13.506","0.001","100.474","0.002","103.159","0.002","104.477","0.002","1677.2","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","6-p-Methoxycarbonylphenyl HPIP","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","2","","Toshiki Mutai; Tatsuya Ohkawa; Hideaki Shono; Koji Araki","The development of aryl-substituted 2-phenylimidazo[1,2-a]pyridines (PIP) with various colors of excited-state intramolecular proton transfer (ESIPT) luminescence in the solid state","Journal of Materials Chemistry C","2016","4","","3599","3606","10.1039/C6TC00376A","","","1.54184","CuKα","","0.0805","0.0729","","","0.1879","0.1948","","","","","","1.099","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234686","12.846","0.001","17.232","0.001","7.549","0.001","90","","96.393","0.001","90","","1660.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","8-p-Methoxycarbonylphenyl HPIP","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","1","","Toshiki Mutai; Tatsuya Ohkawa; Hideaki Shono; Koji Araki","The development of aryl-substituted 2-phenylimidazo[1,2-a]pyridines (PIP) with various colors of excited-state intramolecular proton transfer (ESIPT) luminescence in the solid state","Journal of Materials Chemistry C","2016","4","","3599","3606","10.1039/C6TC00376A","","","1.54184","CuKα","","0.0632","0.0598","","","0.1488","0.1521","","","","","","1.111","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234687","10.436","0.001","14.221","0.001","12.88","0.001","90","","103.362","0.002","90","","1859.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6,8-Diphenyl HPIP","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","1","","Toshiki Mutai; Tatsuya Ohkawa; Hideaki Shono; Koji Araki","The development of aryl-substituted 2-phenylimidazo[1,2-a]pyridines (PIP) with various colors of excited-state intramolecular proton transfer (ESIPT) luminescence in the solid state","Journal of Materials Chemistry C","2016","4","","3599","3606","10.1039/C6TC00376A","","","1.54184","CuKα","","0.1008","0.0925","","","0.1794","0.1836","","","","","","1.299","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234688","17.318","0.004","6.2349","0.0012","7.3422","0.0015","90","","96.81","0.03","90","","787.2","0.3","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C48 H32 N4 -","2","0.5","","Jie Liu; Weigang Zhu; Ke Zhou; Zongrui Wang; Ye Zou; Qing Meng; Jie Li; Yonggang Zhen; Wenping Hu","Pyridyl-substituted anthracene derivatives with solid-state emission and charge transport properties","Journal of Materials Chemistry C","2016","4","","3621","3627","10.1039/C6TC00499G","","","0.71073","MoKα","","0.0479","0.0404","","","0.1091","0.1131","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234689","7.4367","0.0015","6.2803","0.0013","35.03","0.007","90","","90","","90","","1636.1","0.6","123","2","123","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","1","","Jie Liu; Weigang Zhu; Ke Zhou; Zongrui Wang; Ye Zou; Qing Meng; Jie Li; Yonggang Zhen; Wenping Hu","Pyridyl-substituted anthracene derivatives with solid-state emission and charge transport properties","Journal of Materials Chemistry C","2016","4","","3621","3627","10.1039/C6TC00499G","","","0.71073","MoKα","","0.1004","0.0816","","","0.1974","0.2145","","","","","","0.997","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234690","12.582","0.01","5.997","0.005","10.882","0.009","90","","103.308","0.013","90","","799","1.1","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C48 H32 N4 -","2","0.5","","Jie Liu; Weigang Zhu; Ke Zhou; Zongrui Wang; Ye Zou; Qing Meng; Jie Li; Yonggang Zhen; Wenping Hu","Pyridyl-substituted anthracene derivatives with solid-state emission and charge transport properties","Journal of Materials Chemistry C","2016","4","","3621","3627","10.1039/C6TC00499G","","","0.71073","MoKα","","0.0825","0.0746","","","0.1722","0.1775","","","","","","1.194","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234704","3.7736","0.0002","18.7721","0.0013","20.9421","0.0015","90","","95.267","0.005","90","","1477.24","0.17","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-BPy3","","- C42 H28 N6 -","- C42 H28 N6 -","- C84 H56 N12 -","2","0.5","","Yuichiro Watanabe; Hisahiro Sasabe; Daisuke Yokoyama; Teruo Beppu; Hiroshi Katagiri; Junji Kido","Synthesis, properties, and OLED characteristics of 2,2'-bipyridine-based electron-transport materials: the synergistic effect of molecular shape anisotropy and a weak hydrogen-bonding network on molecular orientation","Journal of Materials Chemistry C","2016","4","","3699","3704","10.1039/C5TC03737A","","","0.71075","MoKα","","0.048","0.0439","","","0.1182","0.1212","","","","","","1.055","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234705","32.776","0.012","3.8953","0.0014","23.75","0.009","90","","95.426","0.005","90","","3018.6","1.9","93","","93","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","6,6'-BPy3","","- C42 H28 N6 -","- C42 H28 N6 -","- C168 H112 N24 -","4","0.5","","Yuichiro Watanabe; Hisahiro Sasabe; Daisuke Yokoyama; Teruo Beppu; Hiroshi Katagiri; Junji Kido","Synthesis, properties, and OLED characteristics of 2,2'-bipyridine-based electron-transport materials: the synergistic effect of molecular shape anisotropy and a weak hydrogen-bonding network on molecular orientation","Journal of Materials Chemistry C","2016","4","","3699","3704","10.1039/C5TC03737A","","","0.71075","MoKα","","0.0601","0.0505","","","0.1237","0.1316","","","","","","1.083","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234706","26.891","0.003","7.4319","0.0004","18.017","0.002","90","","125.41","0.017","90","","2934.7","0.8","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","DBTO-PTZ","","- C36 H22 N2 O2 S3 -","- C36 H22 N2 O2 S3 -","- C144 H88 N8 O8 S12 -","4","0.5","","Shifeng Gan; Wenwen Luo; Bairong He; Long Chen; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Integration of aggregation-induced emission and delayed fluorescence into electronic donor-acceptor conjugates","Journal of Materials Chemistry C","2016","4","","3705","3708","10.1039/C5TC03588K","","","0.71073","MoKα","","0.059","0.0473","","","0.1208","0.1274","","","","","","1.084","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234707","4.94184","0.00003","32.8876","0.0002","19.72071","0.00013","90","","96.1585","0.0006","90","","3186.62","0.03","180","0.14","180","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DCV-SN6_Hex","","- C34 H30 N6 S4 -","- C34 H30 N6 S4 -","- C136 H120 N24 S16 -","4","1","","Christoph Wetzel; Amaresh Mishra; Elena Mena-Osteritz; Karsten Walzer; Martin Pfeiffer; Peter Bauerle","Development of strongly absorbing S,N-heterohexacene-based donor materials for efficient vacuum-processed organic solar cells","Journal of Materials Chemistry C","2016","4","","3715","3725","10.1039/C5TC03539B","","x-ray","1.54184","CuKα","","0.0353","0.0341","","","0.0864","0.0872","","","","","","1.074","","","","has coordinates,has disorder","219416","2020-10-21","18:00:00",""
"7234708","10.4212","0.0016","15.6794","0.0018","23.613","0.003","90","","100.008","0.004","90","","3799.6","0.9","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 F10 Ir N4 P -","- C40 H36 F10 Ir N4 P -","- C160 H144 F40 Ir4 N16 P4 -","4","1","","Adam F. Henwood; Ashu K. Bansal; David B. Cordes; Alexandra M. Z. Slawin; Ifor D. W. Samuel; Eli Zysman-Colman","Solubilised bright blue-emitting iridium complexes for solution processed OLEDs","Journal of Materials Chemistry C","2016","4","","3726","3737","10.1039/C6TC00151C","","","0.71075","MoKα","","0.0959","0.0537","","","0.1164","0.134","","","","","","0.998","","","","has coordinates","219417","2020-10-21","18:00:00",""
"7234709","11.239","0.004","16.275","0.005","20.538","0.006","112.85","0.02","94.28","0.02","98.581","0.018","3387","2","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H70 F10 Ir N4 O P -","- C64 H70 F10 Ir N4 O P -","- C128 H140 F20 Ir2 N8 O2 P2 -","2","1","","Adam F. Henwood; Ashu K. Bansal; David B. Cordes; Alexandra M. Z. Slawin; Ifor D. W. Samuel; Eli Zysman-Colman","Solubilised bright blue-emitting iridium complexes for solution processed OLEDs","Journal of Materials Chemistry C","2016","4","","3726","3737","10.1039/C6TC00151C","","","1.54187","CuKα","","0.1239","0.106","","","0.2923","0.3111","","","","","","1.079","","","","has coordinates","219417","2020-10-21","18:00:00",""
"7234710","45.7191","0.001","9.4584","0.0017","33.211","0.007","90","","125.688","0.003","90","","11664","3","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H54 F10 Ir N6 O P -","- C58 H54 F10 Ir N6 O P -","- C464 H432 F80 Ir8 N48 O8 P8 -","8","1","","Adam F. Henwood; Ashu K. Bansal; David B. Cordes; Alexandra M. Z. Slawin; Ifor D. W. Samuel; Eli Zysman-Colman","Solubilised bright blue-emitting iridium complexes for solution processed OLEDs","Journal of Materials Chemistry C","2016","4","","3726","3737","10.1039/C6TC00151C","","","0.71075","MoKα","","0.1173","0.0772","","","0.1992","0.2938","","","","","","1.21","","","","has coordinates","219417","2020-10-21","18:00:00",""
"7234711","11.2797","0.0002","31.164","0.0005","11.8865","0.0002","90","","111.64","0.002","90","","3883.86","0.13","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl6 F4 Ir N3 O4 -","- C36 H30 Cl6 F4 Ir N3 O4 -","- C144 H120 Cl24 F16 Ir4 N12 O16 -","4","1","","Yafei Wang; Ning Sun; Basile F. E. Curchod; Louise Male; Dongge Ma; Jiang Fan; Yu Liu; Weiguo Zhu; Etienne Baranoff","Tuning the oxidation potential of 2-phenylpyridine-based iridium complexes to improve the performance of bluish and white OLEDs","Journal of Materials Chemistry C","2016","4","","3738","3746","10.1039/C5TC02355F","","x-ray","1.54184","CuKα","","0.0339","0.0298","","","0.071","0.0738","","","","","","1.012","","","","has coordinates","219418","2020-10-21","18:00:00",""
"7234712","13.2592","0.0003","17.0439","0.0004","17.1957","0.0004","113.094","0.002","105.613","0.0019","99.0525","0.0018","3287.63","0.16","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C33.5 H32 Cl F4 Ir N2 O4 -","- C33.5 H32 Cl F4 Ir N2 O4 -","- C134 H128 Cl4 F16 Ir4 N8 O16 -","4","2","","Yafei Wang; Ning Sun; Basile F. E. Curchod; Louise Male; Dongge Ma; Jiang Fan; Yu Liu; Weiguo Zhu; Etienne Baranoff","Tuning the oxidation potential of 2-phenylpyridine-based iridium complexes to improve the performance of bluish and white OLEDs","Journal of Materials Chemistry C","2016","4","","3738","3746","10.1039/C5TC02355F","","x-ray","0.71073","MoKα","","0.0359","0.0268","","","0.0552","0.0601","","","","","","1.064","","","","has coordinates,has disorder","219418","2020-10-21","18:00:00",""
"7234713","9.4809","0.0004","12.3964","0.0005","12.9136","0.0005","83.4164","0.0014","84.3822","0.0014","75.5048","0.0014","1455.94","0.1","120","","120","","","","","","","","","5","P -1","-P 1","2","","2,7-Bis(phenoxazin-10-yl)-9,9-dimethylthioxanthene-S,S-dioxide","","- C39 H28 N2 O4 S -","- C39 H28 N2 O4 S -","- C78 H56 N4 O8 S2 -","2","1","","Paloma L. Santos; Jonathan S. Ward; Przemyslaw Data; Andrei S. Batsanov; Martin R. Bryce; Fernando B. Dias; Andrew P. Monkman","Engineering the singlet-triplet energy splitting in a TADF molecule","Journal of Materials Chemistry C","2016","4","","3815","3824","10.1039/C5TC03849A","","x-ray","0.71073","MoKα","","0.0625","0.0442","","","0.1045","0.1132","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234714","11.024","0.001","15.0242","0.0013","18.1498","0.0016","109.274","0.004","96.649","0.003","109.556","0.003","2586","0.4","123","","123","","","","","","","","S. Keller","8","P -1","-P 1","2","","","","- C52.6 H48 Cl2 Cu F6 N2 O1.4 P3 -","- C52.6 H48 Cl2 Cu F6 N2 O1.4 P3 -","- C105.2 H96 Cl4 Cu2 F12 N4 O2.8 P6 -","2","1","","Sarah Keller; Antonio Pertegas; Giulia Longo; Laura Martinez; Jesus Cerda; Jose M. Junquera-Hernandez; Alessandro Prescimone; Edwin C. Constable; Catherine E. Housecroft; Enrique Orti; Henk J. Bolink","Shine bright or live long: substituent effects in [Cu(N/Ν)(P/Π)]±based light-emitting electrochemical cells where N/Ν is a 6-substituted 2,2'-bipyridine","Journal of Materials Chemistry C","2016","4","","3857","3871","10.1039/C5TC03725E","","","1.5418","CuKα","","0.0673","0.066","","0.177","0.1763","0.177","","","","","","1.0065","","","","has coordinates","219420","2020-10-21","18:00:00",""
"7234715","11.352","0.0007","14.0919","0.0009","14.8225","0.001","89.24","0.002","68.865","0.002","88.481","0.002","2210.9","0.2","123","","123","","","","","","","","S.Keller","7","P -1","-P 1","2","","","","- C51 H44 Cu F6 N2 O P3 -","- C51 H44 Cu F6 N2 O P3 -","- C102 H88 Cu2 F12 N4 O2 P6 -","2","1","","Sarah Keller; Antonio Pertegas; Giulia Longo; Laura Martinez; Jesus Cerda; Jose M. Junquera-Hernandez; Alessandro Prescimone; Edwin C. Constable; Catherine E. Housecroft; Enrique Orti; Henk J. Bolink","Shine bright or live long: substituent effects in [Cu(N/Ν)(P/Π)]±based light-emitting electrochemical cells where N/Ν is a 6-substituted 2,2'-bipyridine","Journal of Materials Chemistry C","2016","4","","3857","3871","10.1039/C5TC03725E","","","1.54178","CuKα","","0.0563","0.0549","","0.1386","0.138","0.1385","","","","","","0.8779","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234716","9.8765","0.001","14.2651","0.0015","18.6704","0.0019","103.932","0.003","95.012","0.003","107.013","0.003","2405.8","0.4","123","","123","","","","","","","","Sarah Keller","7","P -1","-P 1","2","","","","- C52 H50 Cu F6 N2 O2 P3 -","- C52 H50 Cu F6 N2 O2 P3 -","- C104 H100 Cu2 F12 N4 O4 P6 -","2","1","","Sarah Keller; Antonio Pertegas; Giulia Longo; Laura Martinez; Jesus Cerda; Jose M. Junquera-Hernandez; Alessandro Prescimone; Edwin C. Constable; Catherine E. Housecroft; Enrique Orti; Henk J. Bolink","Shine bright or live long: substituent effects in [Cu(N/Ν)(P/Π)]±based light-emitting electrochemical cells where N/Ν is a 6-substituted 2,2'-bipyridine","Journal of Materials Chemistry C","2016","4","","3857","3871","10.1039/C5TC03725E","","","1.5418","CuKα","","0.0537","0.0534","","0.1356","0.1355","0.1356","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234717","11.7097","0.0007","14.094","0.0008","16.9221","0.001","110.418","0.002","105.114","0.002","96.608","0.002","2460.4","0.3","123","","123","","","","","","","","Sarah Keller","7","P -1","-P 1","2","","","","- C56 H50 Cu F6 N2 O2 P3 -","- C56 H50 Cu F6 N2 O2 P3 -","- C112 H100 Cu2 F12 N4 O4 P6 -","2","1","","Sarah Keller; Antonio Pertegas; Giulia Longo; Laura Martinez; Jesus Cerda; Jose M. Junquera-Hernandez; Alessandro Prescimone; Edwin C. Constable; Catherine E. Housecroft; Enrique Orti; Henk J. Bolink","Shine bright or live long: substituent effects in [Cu(N/Ν)(P/Π)]±based light-emitting electrochemical cells where N/Ν is a 6-substituted 2,2'-bipyridine","Journal of Materials Chemistry C","2016","4","","3857","3871","10.1039/C5TC03725E","","","1.54178","CuKα","","0.0425","0.0421","","0.1095","0.1093","0.1094","","","","","","0.977","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234718","10.9607","0.0007","15.129","0.001","18.4236","0.0013","110.648","0.004","96.075","0.004","108.716","0.003","2623.7","0.3","123","","123","","","","","","","","Sarah Keller","8","P -1","-P 1","2","","","","- C52 H49 Cl2 Cu F6 N2 O2.5 P3 -","- C52 H49 Cl2 Cu F6 N2 O2.5 P3 -","- C104 H98 Cl4 Cu2 F12 N4 O5 P6 -","2","1","","Sarah Keller; Antonio Pertegas; Giulia Longo; Laura Martinez; Jesus Cerda; Jose M. Junquera-Hernandez; Alessandro Prescimone; Edwin C. Constable; Catherine E. Housecroft; Enrique Orti; Henk J. Bolink","Shine bright or live long: substituent effects in [Cu(N/Ν)(P/Π)]±based light-emitting electrochemical cells where N/Ν is a 6-substituted 2,2'-bipyridine","Journal of Materials Chemistry C","2016","4","","3857","3871","10.1039/C5TC03725E","","","1.5418","CuKα","","0.0756","0.0694","","0.1894","0.186","0.1894","","","","","","0.6844","","","","has coordinates","219420","2020-10-21","18:00:00",""
"7234719","10.1842","0.0007","29.746","0.002","16.163","0.0012","90","","98.762","0.003","90","","4839.3","0.6","123","","123","","","","","","","","Sarah Keller","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H44 Cu F6 N2 O P3 -","- C55 H44 Cu F6 N2 O P3 -","- C220 H176 Cu4 F24 N8 O4 P12 -","4","1","","Sarah Keller; Antonio Pertegas; Giulia Longo; Laura Martinez; Jesus Cerda; Jose M. Junquera-Hernandez; Alessandro Prescimone; Edwin C. Constable; Catherine E. Housecroft; Enrique Orti; Henk J. Bolink","Shine bright or live long: substituent effects in [Cu(N/Ν)(P/Π)]±based light-emitting electrochemical cells where N/Ν is a 6-substituted 2,2'-bipyridine","Journal of Materials Chemistry C","2016","4","","3857","3871","10.1039/C5TC03725E","","","1.54178","CuKα","","0.0616","0.0442","","0.1159","0.0715","0.1159","","","","","","1.0005","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234720","37.95","0.008","3.8","0.0008","23.96","0.005","90","","122.05","0.03","90","","2928.6","1.4","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,7,13,18-tetramethoxytetrabenzo[f,h,r,t]rubicene","","- C92 H60 O8 -","- C92 H60 O8 -","- C184 H120 O16 -","2","0.25","","Sambasiva R. Bheemireddy; Pamela C. Ubaldo; Aaron D. Finke; Lichang Wang; Kyle N. Plunkett","Contorted aromatics via a palladium-catalyzed cyclopentannulation strategy","Journal of Materials Chemistry C","2016","4","","3963","3969","10.1039/C5TC02305J","","","0.61933","synchrotron","","0.0565","0.0547","","","0.1565","0.1582","","","","","","1.059","","","","has coordinates","219421","2020-10-21","18:00:00",""
"7234721","14.339","0.006","9.36","0.003","17.092","0.007","90","","108.095","0.015","90","","2180.5","1.5","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 B F2 N4 -","- C26 H23 B F2 N4 -","- C104 H92 B4 F8 N16 -","4","1","","Samantha Novoa; Joseph A. Paquette; Stephanie M. Barbon; Ryan R. Maar; Joe B. Gilroy","Side-chain boron difluoride formazanate polymers via ring-opening metathesis polymerization","Journal of Materials Chemistry C","2016","4","","3987","3994","10.1039/C5TC03287C","","","0.71073","MoKα","","0.0985","0.0622","","","0.1425","0.1621","","","","","","1.036","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234722","10.4721","0.0007","20.8688","0.0013","14.2792","0.001","90","","98.592","0.004","90","","3085.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SSB-10-102","Nelson04","","- C37 H39 N O4 -","- C37 H39 N O4 -","- C148 H156 N4 O16 -","4","1","","Subhashini Selvaraju; Santosh Adhikari; RaiAnna A. Hopson; Shuo Dai; Arnold L. Rheingold; Mario F. Borunda; Toby L. Nelson","Effects of structural variations on the optical and electronic properties of eumelanin-inspired small molecules","Journal of Materials Chemistry C","2016","4","","3995","3999","10.1039/C5TC03982G","","","0.71073","MoKα","","0.1031","0.0559","","","0.1349","0.1592","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234723","14.0196","0.0003","13.8603","0.0004","12.8511","0.0004","90","","90.778","0.001","90","","2496.94","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SSB-14-17","Nelson05","","- C29 H21 N3 O8 -","- C29 H21 N3 O8 -","- C116 H84 N12 O32 -","4","1","","Subhashini Selvaraju; Santosh Adhikari; RaiAnna A. Hopson; Shuo Dai; Arnold L. Rheingold; Mario F. Borunda; Toby L. Nelson","Effects of structural variations on the optical and electronic properties of eumelanin-inspired small molecules","Journal of Materials Chemistry C","2016","4","","3995","3999","10.1039/C5TC03982G","","","0.71073","MoKα","","0.0553","0.0399","","","0.098","0.1082","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234724","23.809","0.004","13.756","0.003","7.2297","0.0012","90","","90","","90","","2367.8","0.8","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Nelson002","","- C29 H21 F2 N O4 -","- C29 H21 F2 N O4 -","- C116 H84 F8 N4 O16 -","4","1","","Subhashini Selvaraju; Santosh Adhikari; RaiAnna A. Hopson; Shuo Dai; Arnold L. Rheingold; Mario F. Borunda; Toby L. Nelson","Effects of structural variations on the optical and electronic properties of eumelanin-inspired small molecules","Journal of Materials Chemistry C","2016","4","","3995","3999","10.1039/C5TC03982G","","","0.71073","MoKα","","0.1051","0.0671","","","0.1461","0.1652","","","","","","0.942","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234725","19.825","0.003","7.4082","0.001","22.347","0.003","90","","95.552","0.002","90","","3266.7","0.8","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8,8'-dimethyl-4,4'-diphenyl-2,2'-di-p-tolyl-6,6'-biquinoline","","- C46 H36 N2 -","- C46 H36 N2 -","- C184 H144 N8 -","4","1","","Mehran J. Umerani; David J. Dibble; Austin G. Wardrip; Amir Mazaheripour; Eriberto Vargas; Joseph W. Ziller; Alon A. Gorodetsky","Synthesis of polyquinolines via an AA/BB-type aza-Diels-Alder polymerization reaction","Journal of Materials Chemistry C","2016","4","","4060","4066","10.1039/C5TC03974F","","","0.71073","MoKα","","0.0816","0.0515","","","0.139","0.1591","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234726","10.659","0.0019","12.327","0.002","18.406","0.004","90","","90","","90","","2418.4","0.8","293","2","293","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C16 H8 Dy0.5 N8 O12 Zn2 -","- C16 H8 Dy0.5 N8 O12 Zn2 -","- C64 H32 Dy2 N32 O48 Zn8 -","4","0.5","","Yu-Fei Li; Dan Wang; Zhuang Liao; Yang Kang; Wei-Hua Ding; Xiang-Jun Zheng; Lin-Pei Jin","Luminescence tuning of the Dy-Zn metal-organic framework and its application in the detection of Fe(iii) ions","Journal of Materials Chemistry C","2016","4","","4211","4217","10.1039/C6TC00832A","","","0.71073","MoKα","","0.0478","0.0455","","","0.144","0.1457","","","","","","1.166","","","","has coordinates,has disorder","219425","2020-10-21","18:00:00",""
"7234727","13.201","0.0004","15.9948","0.0004","19.217","0.0007","90.118","0.003","97.538","0.003","95.431","0.002","4004.1","0.2","143","0.1","143","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H31 Ir N6 O2 -","- C45 H31 Ir N6 O2 -","- C180 H124 Ir4 N24 O8 -","4","2","","Yan Jiao; Ming Li; Ning Wang; Tao Lu; Liang Zhou; Yan Huang; Zhiyun Lu; Daibing Luo; Xuemei Pu","A facile color-tuning strategy for constructing a library of Ir(iii) complexes with fine-tuned phosphorescence from bluish green to red using a synergetic substituent effect of -OCH3 and -CN at only the C-ring of C/Ν ligand","Journal of Materials Chemistry C","2016","4","","4269","4277","10.1039/C6TC00153J","","","0.71073","MoKα","","0.1133","0.0633","","","0.1242","0.143","","","","","","0.962","","","","has coordinates,has disorder","219426","2020-10-21","18:00:00",""
"7234728","12.9834","0.0005","12.9966","0.0006","17.3152","0.0007","107.588","0.004","97.441","0.003","110.78","0.004","2510.5","0.2","143","0.1","143","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C47 H35 Ir N6 O4 -","- C47 H35 Ir N6 O4 -","- C94 H70 Ir2 N12 O8 -","2","1","","Yan Jiao; Ming Li; Ning Wang; Tao Lu; Liang Zhou; Yan Huang; Zhiyun Lu; Daibing Luo; Xuemei Pu","A facile color-tuning strategy for constructing a library of Ir(iii) complexes with fine-tuned phosphorescence from bluish green to red using a synergetic substituent effect of -OCH3 and -CN at only the C-ring of C/Ν ligand","Journal of Materials Chemistry C","2016","4","","4269","4277","10.1039/C6TC00153J","","","0.71073","MoKα","","0.1081","0.101","","","0.2738","0.279","","","","","","1.074","","","","has coordinates","219426","2020-10-21","18:00:00",""
"7234729","24.588","0.002","14.8019","0.0005","18.5369","0.0015","90","","137.444","0.016","90","","4562.7","1.5","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H31 Ir N6 O2 -","- C45 H31 Ir N6 O2 -","- C180 H124 Ir4 N24 O8 -","4","0.5","","Yan Jiao; Ming Li; Ning Wang; Tao Lu; Liang Zhou; Yan Huang; Zhiyun Lu; Daibing Luo; Xuemei Pu","A facile color-tuning strategy for constructing a library of Ir(iii) complexes with fine-tuned phosphorescence from bluish green to red using a synergetic substituent effect of -OCH3 and -CN at only the C-ring of C/Ν ligand","Journal of Materials Chemistry C","2016","4","","4269","4277","10.1039/C6TC00153J","","","0.71073","MoKα","","0.0415","0.0362","","","0.087","0.0894","","","","","","1.079","","","","has coordinates","219426","2020-10-21","18:00:00",""
"7234730","13.1742","0.0003","13.1742","0.0003","28.3375","0.0008","90","","90","","90","","4918.2","0.2","143.05","0.1","143.05","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C47 H35 Ir N6 O4 -","- C47 H35 Ir N6 O4 -","- C188 H140 Ir4 N24 O16 -","4","0.5","","Yan Jiao; Ming Li; Ning Wang; Tao Lu; Liang Zhou; Yan Huang; Zhiyun Lu; Daibing Luo; Xuemei Pu","A facile color-tuning strategy for constructing a library of Ir(iii) complexes with fine-tuned phosphorescence from bluish green to red using a synergetic substituent effect of -OCH3 and -CN at only the C-ring of C/Ν ligand","Journal of Materials Chemistry C","2016","4","","4269","4277","10.1039/C6TC00153J","","","0.71073","MoKα","","0.064","0.0597","","","0.1261","0.1279","","","","","","1.173","","","","has coordinates","219426","2020-10-21","18:00:00",""
"7234766","8.632","0.002","5.2017","0.0017","14.695","0.004","90","","91","0.03","90","","659.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BOXD","2,2-bis(phenyl)-bi-1,3,4-oxadiazole","","- C32 H20 N8 O4 -","- C32 H20 N8 O4 -","- C32 H20 N8 O4 -","1","0.25","","Fangyi Chen; Taiji Tian; Binglian Bai; Jian Wang; Haitao Wang; Min Li","Crystal structures, intermolecular interactions and fluorescence properties of a series of symmetrical bi-1,3,4-oxadiazole derivatives","Journal of Materials Chemistry C","2016","4","","4451","4458","10.1039/C6TC00324A","","","0.71073","MoKα","","0.0757","0.0469","","","0.0925","0.1047","","","","","","1.077","","","","has coordinates","220064","2020-10-21","18:00:00",""
"7234767","6.73","0.0013","7.8225","0.0016","13.239","0.003","90","","92.76","0.03","90","","696.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BOXD-m-F","2,2-bis(3-fluorophenyl)-bi-1,3,4-oxadiazole","","- C16 H8 F2 N4 O2 -","- C16 H8 F2 N4 O2 -","- C32 H16 F4 N8 O4 -","2","0.5","","Fangyi Chen; Taiji Tian; Binglian Bai; Jian Wang; Haitao Wang; Min Li","Crystal structures, intermolecular interactions and fluorescence properties of a series of symmetrical bi-1,3,4-oxadiazole derivatives","Journal of Materials Chemistry C","2016","4","","4451","4458","10.1039/C6TC00324A","","","0.71073","MoKα","","0.0546","0.0477","","","0.1208","0.1263","","","","","","1.104","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234768","8.0707","0.0016","6.187","0.0012","13.704","0.003","90","","95.88","0.03","90","","680.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BOXD-o-F","2,2-bis(2-fluorophenyl)-bi-1,3,4-oxadiazole","","- C16 H8 F2 N4 O2 -","- C16 H8 F2 N4 O2 -","- C32 H16 F4 N8 O4 -","2","0.5","","Fangyi Chen; Taiji Tian; Binglian Bai; Jian Wang; Haitao Wang; Min Li","Crystal structures, intermolecular interactions and fluorescence properties of a series of symmetrical bi-1,3,4-oxadiazole derivatives","Journal of Materials Chemistry C","2016","4","","4451","4458","10.1039/C6TC00324A","","","0.71073","MoKα","","0.0853","0.0577","","","0.1578","0.177","","","","","","1.089","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234769","3.9373","0.0008","11.632","0.002","16.943","0.003","90","","96.33","0.03","90","","771.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BOXD-o-OCH3","2,2-bis(2-methyloxyphenyl)-bi-1,3,4-oxadiazole","","- C18 H14 N4 O4 -","- C18 H14 N4 O4 -","- C36 H28 N8 O8 -","2","0.5","","Fangyi Chen; Taiji Tian; Binglian Bai; Jian Wang; Haitao Wang; Min Li","Crystal structures, intermolecular interactions and fluorescence properties of a series of symmetrical bi-1,3,4-oxadiazole derivatives","Journal of Materials Chemistry C","2016","4","","4451","4458","10.1039/C6TC00324A","","","0.71073","MoKα","","0.0457","0.0392","","","0.1106","0.1146","","","","","","1.104","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234770","13.425","0.003","3.8641","0.0008","27.628","0.006","90","","99.63","0.03","90","","1413","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BOXD-p-F","2,2-bis(4-fluorophenyl)-bi-1,3,4-oxadiazole","","- C16 H8 F2 N4 O2 -","- C16 H8 F2 N4 O2 -","- C64 H32 F8 N16 O8 -","4","1","","Fangyi Chen; Taiji Tian; Binglian Bai; Jian Wang; Haitao Wang; Min Li","Crystal structures, intermolecular interactions and fluorescence properties of a series of symmetrical bi-1,3,4-oxadiazole derivatives","Journal of Materials Chemistry C","2016","4","","4451","4458","10.1039/C6TC00324A","","","0.71073","MoKα","","0.0932","0.0433","","","0.0952","0.1127","","","","","","0.926","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234771","3.8535","0.0008","15.665","0.003","10.114","0.002","90","","97.98","0.03","90","","604.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TBOXD","2,2-bis(thienyl)-bi-1,3,4-oxadiazole","","- C12 H6 N4 O2 S2 -","- C12 H6 N4 O2 S2 -","- C24 H12 N8 O4 S4 -","2","0.5","","Fangyi Chen; Taiji Tian; Binglian Bai; Jian Wang; Haitao Wang; Min Li","Crystal structures, intermolecular interactions and fluorescence properties of a series of symmetrical bi-1,3,4-oxadiazole derivatives","Journal of Materials Chemistry C","2016","4","","4451","4458","10.1039/C6TC00324A","","","0.71073","MoKα","","0.0519","0.0428","","","0.1091","0.114","","","","","","1.092","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234772","11.4915","0.0012","14.5392","0.0016","15.7532","0.0017","90","","90","","90","","2632","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H18 B F2 N3 O3 -","- C33 H18 B F2 N3 O3 -","- C132 H72 B4 F8 N12 O12 -","4","1","","Yanping Wu; Sisi Wang; Zhifang Li; Zhen Shen; Hua Lu","Chiral binaphthyl-linked BODIPY analogues: synthesis and spectroscopic properties","Journal of Materials Chemistry C","2016","4","","4668","4674","10.1039/C6TC00975A","","","0.71073","MoKα","","0.0624","0.0387","","","0.0812","0.0918","","","","","","1.015","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234773","11.4844","0.0015","14.5457","0.0016","15.7575","0.0019","90","","90","","90","","2632.3","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H18 B F2 N3 O3 -","- C33 H18 B F2 N3 O3 -","- C132 H72 B4 F8 N12 O12 -","4","1","","Yanping Wu; Sisi Wang; Zhifang Li; Zhen Shen; Hua Lu","Chiral binaphthyl-linked BODIPY analogues: synthesis and spectroscopic properties","Journal of Materials Chemistry C","2016","4","","4668","4674","10.1039/C6TC00975A","","","0.71073","MoKα","","0.068","0.0407","","","0.0855","0.1049","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234774","8.9442","0.0009","25.154","0.002","6.7966","0.0007","90","","98.632","0.007","90","","1511.8","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 O20 Sr2 -","- C28 H16 O20 Sr2 -","- C56 H32 O40 Sr4 -","2","0.5","","Muhammad Usman; Golam Haider; Shruti Mendiratta; Tzuoo-Tsair Luo; Yang-Fang Chen; Kuang-Lieh Lu","Continuous broadband emission from a metal-organic framework as a human-friendly white light source","Journal of Materials Chemistry C","2016","4","","4728","4732","10.1039/C6TC00839A","","","0.71073","MoKα","","0.0702","0.0496","","","0.1169","0.1276","","","","","","1.043","","","","has coordinates","220081","2020-10-21","18:00:00",""
"7234775","5.9071","0.0005","8.9508","0.0008","20.8754","0.0013","99.023","0.006","96.445","0.006","95.404","0.007","1076.15","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H22 O -","- C32 H22 O -","- C64 H44 O2 -","2","1","","Zhiju Zhao; Taixin Chen; Shuting Jiang; Zhengping Liu; Decai Fang; Yong Qiang Dong","The construction of a multicolored mechanochromic luminogen with high contrast through the combination of a large conjugation core and peripheral phenyl rings","Journal of Materials Chemistry C","2016","4","","4800","4804","10.1039/C6TC00972G","","","0.71073","MoKα","","0.074","0.0493","","","0.1062","0.1181","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234776","5.5225","0.0004","8.0712","0.0004","31.0578","0.0015","94.482","0.004","92.994","0.005","105.696","0.005","1324.76","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","2,7-dioctyloxy-[1]benzothieno[3,2,b]benzothiophene","","- C30 H40 O2 S2 -","- C30 H40 O2 S2 -","- C60 H80 O4 S4 -","2","1","","Christian Ruzie; Jolanta Karpinska; Anne Laurent; Lionel Sanguinet; Simon Hunter; Thomas D. Anthopoulos; Vincent Lemaur; Jerome Cornil; Alan R. Kennedy; Oliver Fenwick; Paolo Samori; Guillaume Schweicher; Basab Chattopadhyay; Yves Henri Geerts","Design, synthesis, chemical stability, packing, cyclic voltammetry, ionisation potential, and charge transport of [1]benzothieno[3,2-b][1]benzothiophene derivatives","Journal of Materials Chemistry C","2016","4","","4863","4879","10.1039/C6TC01409G","","","0.71073","MoKα","","0.0939","0.0537","","","0.0918","0.104","","","","","","1.054","","","","has coordinates","220094","2020-10-21","18:00:00",""
"7234777","7.639","0.003","7.759","0.003","42.556","0.017","90","","90","","90","","2522.3","1.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 O2 S2 -","- C28 H36 O2 S2 -","- C112 H144 O8 S8 -","4","1","","Christian Ruzie; Jolanta Karpinska; Anne Laurent; Lionel Sanguinet; Simon Hunter; Thomas D. Anthopoulos; Vincent Lemaur; Jerome Cornil; Alan R. Kennedy; Oliver Fenwick; Paolo Samori; Guillaume Schweicher; Basab Chattopadhyay; Yves Henri Geerts","Design, synthesis, chemical stability, packing, cyclic voltammetry, ionisation potential, and charge transport of [1]benzothieno[3,2-b][1]benzothiophene derivatives","Journal of Materials Chemistry C","2016","4","","4863","4879","10.1039/C6TC01409G","","","0.71073","MoKα","","0.0511","0.0489","","","0.1207","0.1232","","","","","","1.064","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234778","23.0898","0.0013","5.6492","0.0003","11.3886","0.0008","90","","93.482","0.005","90","","1482.77","0.16","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 F10 O2 S2 -","- C30 H30 F10 O2 S2 -","- C60 H60 F20 O4 S4 -","2","0.5","","Christian Ruzie; Jolanta Karpinska; Anne Laurent; Lionel Sanguinet; Simon Hunter; Thomas D. Anthopoulos; Vincent Lemaur; Jerome Cornil; Alan R. Kennedy; Oliver Fenwick; Paolo Samori; Guillaume Schweicher; Basab Chattopadhyay; Yves Henri Geerts","Design, synthesis, chemical stability, packing, cyclic voltammetry, ionisation potential, and charge transport of [1]benzothieno[3,2-b][1]benzothiophene derivatives","Journal of Materials Chemistry C","2016","4","","4863","4879","10.1039/C6TC01409G","","","0.71073","MoKα","","0.0632","0.0452","","","0.1025","0.1156","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234779","49.296","0.002","5.4166","0.0003","10.2355","0.0006","90","","96.31","0.005","90","","2716.5","0.2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 O4 S4 -","- C28 H36 O4 S4 -","- C112 H144 O16 S16 -","4","0.5","","Christian Ruzie; Jolanta Karpinska; Anne Laurent; Lionel Sanguinet; Simon Hunter; Thomas D. Anthopoulos; Vincent Lemaur; Jerome Cornil; Alan R. Kennedy; Oliver Fenwick; Paolo Samori; Guillaume Schweicher; Basab Chattopadhyay; Yves Henri Geerts","Design, synthesis, chemical stability, packing, cyclic voltammetry, ionisation potential, and charge transport of [1]benzothieno[3,2-b][1]benzothiophene derivatives","Journal of Materials Chemistry C","2016","4","","4863","4879","10.1039/C6TC01409G","","","1.5418","CuKα","","0.036","0.0333","","","0.0879","0.0912","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234780","11.4145","0.0002","11.5693","0.0002","17.3062","0.0003","90","","90","","90","","2285.42","0.07","323","2","323","2","","","","","","","","3","I b a m","-I 2 2c","72","","","","- C18 Co N10 -","- C17.96 Co N10 -","- C71.84 Co4 N40 -","4","0.25","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.0491","0.0402","","","0.1145","0.1251","","","","","","1.115","","","","has coordinates","220095","2020-10-21","18:00:00",""
"7234781","17.2246","0.0006","23.0205","0.0009","22.831","0.0008","90","","90","","90","","9052.9","0.6","300","2","300","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C18 H28 Co N10 -","- C18 H10.5 Co N10 -","- C288 H168 Co16 N160 -","16","2","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.137","0.0747","","","0.2068","0.2717","","","","","","1.036","","","","has coordinates","220096","2020-10-21","18:00:00",""
"7234782","16.1258","0.0004","16.1258","0.0004","17.1229","0.0004","90","","90","","90","","4452.66","0.19","200","2","200","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H28 Co N10 -","- C18 H7 Co N10 -","- C144 H56 Co8 N80 -","8","1","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.0529","0.0507","","","0.1389","0.1409","","","","","","1.198","","","","has coordinates","220097","2020-10-21","18:00:00",""
"7234783","11.39","0.005","11.39","0.005","17.301","0.005","90","0.005","90","0.005","90","0.005","2244.5","1.5","368","2","368","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- C18 N10 Ni -","- C18 N10 Ni -","- C72 N40 Ni4 -","4","0.125","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.048","0.0402","","","0.1157","0.1282","","","","","","1.154","","","","has coordinates","220098","2020-10-21","18:00:00",""
"7234784","11.3524","0.0003","11.5038","0.0003","17.1916","0.0004","90","","90","","90","","2245.15","0.1","323","2","323","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C18 H28 N10 Ni -","- C17.96 N10 Ni -","- C71.84 N40 Ni4 -","4","0.25","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.047","0.0382","","","0.1019","0.114","","","","","","1.091","","","","has coordinates","220099","2020-10-21","18:00:00",""
"7234785","17.1299","0.0005","22.9364","0.0006","22.6975","0.0006","90","","90","","90","","8917.8","0.4","300","2","300","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C18 H28 N10 Ni -","- C18 H17.5 N10 Ni -","- C288 H280 N160 Ni16 -","16","2","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.1075","0.0671","","","0.1814","0.2257","","","","","","1.042","","","","has coordinates","220100","2020-10-21","18:00:00",""
"7234786","16.083","0.0004","16.083","0.0004","17.0185","0.0004","90","","90","","90","","4402.05","0.19","180","2","180","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H28 N10 Ni -","- C18 H14 N10 Ni -","- C144 H112 N80 Ni8 -","8","1","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.074","0.072","","","0.1724","0.1757","","","","","","1.262","","","","has coordinates","220101","2020-10-21","18:00:00",""
"7234787","11.498","0.0002","11.498","0.0002","17.498","0.0003","90","","90","","90","","2313.31","0.07","368","2","368","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- C18 Fe N10 -","- C18 Fe N10 -","- C72 Fe4 N40 -","4","0.125","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.0574","0.0479","","","0.1508","0.1643","","","","","","1.137","","","","has coordinates","220102","2020-10-21","18:00:00",""
"7234788","11.5219","0.0004","11.5355","0.0004","17.3841","0.0005","90","","90","","90","","2310.54","0.13","323","2","323","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C18 H28 Fe N10 -","- C18 Fe N10 -","- C72 Fe4 N40 -","4","0.25","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.0605","0.0445","","","0.127","0.1423","","","","","","1.037","","","","has coordinates","220103","2020-10-21","18:00:00",""
"7234789","16.1494","0.0006","16.1494","0.0006","17.2252","0.0005","90","","90","","90","","4492.4","0.3","200","2","200","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H28 Fe N10 -","- C18 H7 Fe N10 -","- C144 H56 Fe8 N80 -","8","1","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.0549","0.048","","","0.1315","0.137","","","","","","1.142","","","","has coordinates","220104","2020-10-21","18:00:00",""
"7234790","11.4551","0.0002","11.4551","0.0002","17.4294","0.0003","90","","90","","90","","2287.07","0.07","368","2","368","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- C18 Co N10 -","- C18 Co N10 -","- C72 Co4 N40 -","4","0.125","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.0602","0.0505","","","0.1449","0.1591","","","","","","1.105","","","","has coordinates","220105","2020-10-21","18:00:00",""
"7234819","22.126","0.005","11.533","0.002","18.308","0.004","90","","109.595","0.004","90","","4401.3","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","ST_tBu","","- C50 H50 N6 Si -","- C50 H50 N6 Si -","- C200 H200 N24 Si4 -","4","0.5","","Seungjun Yi; Woo-Ri Bae; Jin-Hyoung Kim; Ah-Rang Lee; Woo-Young Kim; Won-Sik Han; Ho-Jin Son; Sang Ook Kang","Electronic alteration of end-on phenyl groups of bis-triazolyl-silanes: electron-transport materials for blue phosphorescent OLEDs","Journal of Materials Chemistry C","2016","4","","4978","4987","10.1039/C6TC00017G","","","0.71073","MoKα","","0.1202","0.0559","","","0.1352","0.1807","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234820","10.1268","0.0007","32.36","0.003","8.71","0.0006","90","","108.832","0.004","90","","2701.5","0.4","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,3-bis(Dicyanomethylene)-2-(4-(dimethylamino)benzylidene) -2,3-dihydro-1H-indene-5-carboxylic acetic anhydride benzene solvate","","- C33 H23 N5 O3 -","- C33 H23 N5 O3 -","- C132 H92 N20 O12 -","4","1","","Kaspars Traskovskis; Valdis Kokars; Andrejs Tokmakovs; Igors Mihailovs; Edgars Nitiss; Marina Petrova; Sergey Belyakov; Martins Rutkis","Stereoselective synthesis and properties of 1,3-bis(dicyanomethylidene)indane-5-carboxylic acid acceptor fragment containing nonlinear optical chromophores","Journal of Materials Chemistry C","2016","4","","5019","5030","10.1039/C6TC00203J","","","0.71073","MoKα","","0.1657","0.0864","","","0.1782","0.2108","","","","","","1.069","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234821","22.1451","0.0008","16.0302","0.0006","10.211","0.0004","90","","100.04","0.004","90","","3569.3","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 O12 Tb -","- C15 H15 O12 Tb -","- C120 H120 O96 Tb8 -","8","1","","E. Bartolome; J. Bartolome; A. Arauzo; J. Luzon; L. Badia; R. Cases; F. Luis; S. Melnic; D. Prodius; S. Shova; C. Turta","Antiferromagnetic single-chain magnet slow relaxation in the {Tb(alpha-fur)3}n polymer with non-Kramers ions","Journal of Materials Chemistry C","2016","4","","5038","5050","10.1039/C6TC00919K","","","0.71073","MoKα","","0.0489","0.0396","","","0.0907","0.0987","","","","","","1.074","","","","has coordinates,has disorder","220357","2020-10-21","18:00:00",""
"7234822","16.505","0.003","16.849","0.003","23.262","0.005","90","","95.08","0.03","90","","6444","2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C67 H36.5 B F24 Ir N5 O -","- C67 H36.5 B F24 Ir N5 O -","- C268 H146 B4 F96 Ir4 N20 O4 -","4","2","","Dongxin Ma; Lian Duan; Yong Qiu","Orange-red- and white-emitting diodes fabricated by vacuum evaporation deposition of sublimable cationic iridium complexes","Journal of Materials Chemistry C","2016","4","","5051","5058","10.1039/C6TC00738D","","","0.71073","MoKα","","0.0519","0.0629","","","0.1059","0.1268","","","","","","1.067","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7234823","8.07","0.05","11.393","0.007","12.568","0.007","106.171","0.01","106.915","0.008","99.301","0.003","1024","6","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H52 S2 Si2 -","- C46 H52 S2 Si2 -","- C46 H52 S2 Si2 -","1","0.5","","Longbin Ren; Chunming Liu; Zhaohui Wang; Xiaozhang Zhu","Isomeric indacenedibenzothiophenes: synthesis, photoelectric properties and ambipolar semiconductivity","Journal of Materials Chemistry C","2016","4","","5202","5206","10.1039/C6TC01808D","","","0.71073","MoKα","","0.1614","0.1151","","","0.1893","0.2133","","","","","","1.15","","","","has coordinates","220359","2020-10-21","18:00:00",""
"7234824","18.517","0.003","18.517","0.003","7.2125","0.0014","90","","90","","90","","2473","0.7","153","2","153","2","","","","","","","","4","I -4","I -4","82","","","","- C32 H21 N6 O0.5 -","- C32 H20 N6 O0.5 -","- C128 H80 N24 O2 -","4","0.5","","Jianghong Tan; Bo Wang; Zhi Huang; Xialei Lv; Wei Yi; Shaoqing Zhuang; Lei Wang","Design, synthesis, characterization and application of a novel electron-deficient moiety 1,5-diazacarbazole in high triplet energy host materials","Journal of Materials Chemistry C","2016","4","","5222","5230","10.1039/C6TC01266C","","","0.71073","MoKα","","0.0772","0.0542","","","0.1309","0.142","","","","","","1.02","","","","has coordinates","220360","2020-10-21","18:00:00",""
"7234825","14.646","0.003","16.035","0.003","12.956","0.003","90","","93.24","0.03","90","","3037.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N O S -","- C19 H13 N O S -","- C152 H104 N8 O8 S8 -","8","2","","Pengchong Xue; Jipeng Ding; Peng Chen; Panpan Wang; Boqi Yao; Jiabao Sun; Jingbo Sun; Ran Lu","Mechanical force-induced luminescence enhancement and chromism of a nonplanar D-A phenothiazine derivative","Journal of Materials Chemistry C","2016","4","","5275","5280","10.1039/C6TC01193D","","","0.71073","MoKα","","0.0583","0.0425","","","0.1061","0.1157","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234826","9.4098","0.001","10.0034","0.001","13.9777","0.0014","76.368","0.003","84.054","0.003","66.078","0.003","1168.8","0.2","288","2","288","2","","","","","","","","5","P -1","-P 1","2","CA-V(IV)","ammonium citrato-oxovanadate (IV)","","- C12 H28 N4 O18 V2 -","- C12 H28 N4 O18 V2 -","- C24 H56 N8 O36 V4 -","2","1","","Jing Zhang; Hong Tian; Liang Hao; Xin Jin; Chunming Yang; Jing Wang; Xinmin Cui; Conghui Wang; Ce Zhang; Cong Zhang; Yao Xu","Thermochromic VO2 films from ammonium citrato-oxovanadate(iv) with excellent optical and phase transition properties","Journal of Materials Chemistry C","2016","4","","5281","5288","10.1039/C6TC00315J","","","0.71073","MoKα","","0.0395","0.0344","","","0.0938","0.0974","","","","","","1.061","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234827","9.8811","0.0006","21.9613","0.0011","11.8955","0.0007","90","","106.396","0.007","90","","2476.4","0.3","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 B F2 I2 N2 -","- C27 H19 B F2 I2 N2 -","- C108 H76 B4 F8 I8 N8 -","4","1","","Madoka Yamaguchi; Shunichiro Ito; Amane Hirose; Kazuo Tanaka; Yoshiki Chujo","Modulation of sensitivity to mechanical stimulus in mechanofluorochromic properties by altering substituent positions in solid-state emissive diiodo boron diiminates","Journal of Materials Chemistry C","2016","4","","5314","5319","10.1039/C6TC01111J","","","0.71075","MoKα","","0.0402","0.0347","","","0.1108","0.1159","","","","","","0.923","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234828","10.1509","0.0019","10.2761","0.0019","13.098","0.002","73.482","0.005","71.61","0.005","76.301","0.005","1226.6","0.4","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H19 B F2 I2 N2 O0 -","- C27 H19 B F2 I2 N2 -","- C54 H38 B2 F4 I4 N4 -","2","1","","Madoka Yamaguchi; Shunichiro Ito; Amane Hirose; Kazuo Tanaka; Yoshiki Chujo","Modulation of sensitivity to mechanical stimulus in mechanofluorochromic properties by altering substituent positions in solid-state emissive diiodo boron diiminates","Journal of Materials Chemistry C","2016","4","","5314","5319","10.1039/C6TC01111J","","","0.71075","MoKα","","0.0549","0.0441","","","0.1352","0.1506","","","","","","1.031","","","","has coordinates","220363","2020-10-21","18:00:00",""
"7234829","9.714","0.002","10.007","0.002","13.415","0.003","104.363","0.007","99.942","0.007","99.426","0.007","1214.8","0.4","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H19 B F2 I2 N2 O0 -","- C27 H19 B F2 I2 N2 -","- C54 H38 B2 F4 I4 N4 -","2","1","","Madoka Yamaguchi; Shunichiro Ito; Amane Hirose; Kazuo Tanaka; Yoshiki Chujo","Modulation of sensitivity to mechanical stimulus in mechanofluorochromic properties by altering substituent positions in solid-state emissive diiodo boron diiminates","Journal of Materials Chemistry C","2016","4","","5314","5319","10.1039/C6TC01111J","","","0.71075","MoKα","","0.1048","0.081","","","0.2002","0.2198","","","","","","1.187","","","","has coordinates","220363","2020-10-21","18:00:00",""
"7234830","7.4834","0.0008","20.9617","0.0019","15.6517","0.0015","90","","94.901","0.007","90","","2446.2","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 B F2 I2 N2 O0 -","- C27 H19 B F2 I2 N2 -","- C108 H76 B4 F8 I8 N8 -","4","1","","Madoka Yamaguchi; Shunichiro Ito; Amane Hirose; Kazuo Tanaka; Yoshiki Chujo","Modulation of sensitivity to mechanical stimulus in mechanofluorochromic properties by altering substituent positions in solid-state emissive diiodo boron diiminates","Journal of Materials Chemistry C","2016","4","","5314","5319","10.1039/C6TC01111J","","","0.71075","MoKα","","0.0597","0.0477","","","0.1377","0.1496","","","","","","1.003","","","","has coordinates","220363","2020-10-21","18:00:00",""
"7234831","9.407","0.002","26.048","0.007","24.745","0.006","90","","94.94","0.003","90","","6041","3","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4?-((2?,5?-bis((4-(dimesitylboryl)phenyl)ethynyl)-[1,1?:4?,1?-terphenyl] -4,4?-diyl)bis(1,2-diphenylethene-2,1-diyl))bis(N,N-diphenylaniline)","","- C134 H110 B2 N2 -","- C134 H110 B2 N2 -","- C268 H220 B4 N4 -","2","0.5","","Shuhong Li; Yanli Shang; Lifang Wang; Ryan T. K. Kwok; Ben Zhong Tang","Donor-acceptor pi-conjugated aggregation-induced emission molecules for reversible nanometer-scale data storage","Journal of Materials Chemistry C","2016","4","","5363","5369","10.1039/C6TC00803H","","","0.71073","MoKα","","0.2101","0.1681","","","0.3635","0.3789","","","","","","1.822","","","","has coordinates,has disorder","301866","2025-08-22","21:38:29",""
"7234832","22.277","0.005","13.12","0.003","52.44","0.012","90","","90","","90","","15327","6","296","2","296.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H86 Dy2 N6 O100 P2 W22 -","- C32 H76 Dy2 N6 O100 P2 W22 -","- C128 H304 Dy8 N24 O400 P8 W88 -","4","1","","Pengtao Ma; Feng Hu; Rong Wan; Yu Huo; Dongdi Zhang; Jingyang Niu; Jingping Wang","Magnetic double-tartaric bridging mono-lanthanide substituted phosphotungstates with photochromic and switchable luminescence properties","Journal of Materials Chemistry C","2016","4","","5424","5433","10.1039/C6TC00960C","","","0.71073","MoKα","","0.1056","0.0625","","","0.1367","0.1602","","","","","","1.026","","","","has coordinates,has disorder","220365","2020-10-21","18:00:00",""
"7234833","22.1047","0.0014","13.0665","0.0009","52.158","0.004","90","","90","","90","","15064.9","1.8","296","2","296.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H86 Er2 N6 O100 P2 W22 -","- C32 H76 Er2 N6 O100 P2 W22 -","- C128 H304 Er8 N24 O400 P8 W88 -","4","1","","Pengtao Ma; Feng Hu; Rong Wan; Yu Huo; Dongdi Zhang; Jingyang Niu; Jingping Wang","Magnetic double-tartaric bridging mono-lanthanide substituted phosphotungstates with photochromic and switchable luminescence properties","Journal of Materials Chemistry C","2016","4","","5424","5433","10.1039/C6TC00960C","","","0.71073","MoKα","","0.1021","0.0591","","","0.1245","0.1454","","","","","","1.032","","","","has coordinates,has disorder","220365","2020-10-21","18:00:00",""
"7234834","22.1006","0.0013","13.0302","0.0007","51.964","0.003","90","","90","","90","","14964.3","1.5","296","2","296.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H86 N6 O100 P2 W22 Yb2 -","- C32 H76 N6 O100 P2 W22 Yb2 -","- C128 H304 N24 O400 P8 W88 Yb8 -","4","1","","Pengtao Ma; Feng Hu; Rong Wan; Yu Huo; Dongdi Zhang; Jingyang Niu; Jingping Wang","Magnetic double-tartaric bridging mono-lanthanide substituted phosphotungstates with photochromic and switchable luminescence properties","Journal of Materials Chemistry C","2016","4","","5424","5433","10.1039/C6TC00960C","","","0.71073","MoKα","","0.1148","0.0648","","","0.137","0.1618","","","","","","1.017","","","","has coordinates,has disorder","220365","2020-10-21","18:00:00",""
"7234835","29.5811","0.0002","29.5811","0.0002","5.99453","0.00005","90","","90","","90","","5245.46","0.07","298","","298","","","","","","","","","6","I 41 m d","I 4bw -2","109","Ga_acetone","","","- C28.5 H24 Cl2 Ga N2 O0.5 -","- C28.5 H24 Cl2 Ga N2 O0.5 -","- C228 H192 Cl16 Ga8 N16 O4 -","8","0.5","","Shunichiro Ito; Amane Hirose; Madoka Yamaguchi; Kazuo Tanaka; Yoshiki Chujo","Size-discrimination of volatile organic compounds utilizing gallium diiminate by luminescent chromism of crystallization-induced emission via encapsulation-triggered crystal-crystal transition","Journal of Materials Chemistry C","2016","4","","5564","5571","10.1039/C6TC01819J","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.0864","","","","","","","has coordinates","220366","2020-10-21","18:00:00",""
"7234836","29.549","0.004","29.549","0.004","6.0559","0.0008","90","","90","","90","","5287.7","1.2","298","","298","","","","","","","","","5","I 41 m d","I 4bw -2","109","Ga_benzene","","","- C30 H24 Cl2 Ga N2 -","- C30 H23.75 Cl2 Ga N2 -","- C240 H190 Cl16 Ga8 N16 -","8","0.5","","Shunichiro Ito; Amane Hirose; Madoka Yamaguchi; Kazuo Tanaka; Yoshiki Chujo","Size-discrimination of volatile organic compounds utilizing gallium diiminate by luminescent chromism of crystallization-induced emission via encapsulation-triggered crystal-crystal transition","Journal of Materials Chemistry C","2016","4","","5564","5571","10.1039/C6TC01819J","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","0.9592","","","","","","","has coordinates","220366","2020-10-21","18:00:00",""
"7234837","29.526","0.005","29.526","0.005","6.0428","0.0012","90","","90","","90","","5268","1.6","298","","298","","","","","","","","","5","I 41 m d","I 4bw -2","109","Ga_pyridine","","","- C29.5 H23.5 Cl2 Ga N2.5 -","- C29.25 H23.5 Cl2 Ga N2.5 -","- C234 H188 Cl16 Ga8 N20 -","8","0.5","","Shunichiro Ito; Amane Hirose; Madoka Yamaguchi; Kazuo Tanaka; Yoshiki Chujo","Size-discrimination of volatile organic compounds utilizing gallium diiminate by luminescent chromism of crystallization-induced emission via encapsulation-triggered crystal-crystal transition","Journal of Materials Chemistry C","2016","4","","5564","5571","10.1039/C6TC01819J","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","0.9397","","","","","","","has coordinates","220366","2020-10-21","18:00:00",""
"7234838","29.637","0.004","29.637","0.004","5.9954","0.0009","90","","90","","90","","5266.1","1.3","298","","298","","","","","","","","","6","I 41 m d","I 4bw -2","109","Ga_dioxane","","","- C29 H25 Cl2 Ga N2 O -","- C28.75 H25 Cl2 Ga N2 O -","- C230 H200 Cl16 Ga8 N16 O8 -","8","0.5","","Shunichiro Ito; Amane Hirose; Madoka Yamaguchi; Kazuo Tanaka; Yoshiki Chujo","Size-discrimination of volatile organic compounds utilizing gallium diiminate by luminescent chromism of crystallization-induced emission via encapsulation-triggered crystal-crystal transition","Journal of Materials Chemistry C","2016","4","","5564","5571","10.1039/C6TC01819J","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","0.9806","","","","","","","has coordinates","220366","2020-10-21","18:00:00",""
"7234839","29.6117","0.0003","29.6117","0.0003","6.01011","0.0001","90","","90","","90","","5269.98","0.12","298","","298","","","","","","","","","6","I 41 m d","I 4bw -2","109","Ga_THF","","","- C29 H25 Cl2 Ga N2 O0.5 -","- C29 H25 Cl2 Ga N2 O0.5 -","- C232 H200 Cl16 Ga8 N16 O4 -","8","0.5","","Shunichiro Ito; Amane Hirose; Madoka Yamaguchi; Kazuo Tanaka; Yoshiki Chujo","Size-discrimination of volatile organic compounds utilizing gallium diiminate by luminescent chromism of crystallization-induced emission via encapsulation-triggered crystal-crystal transition","Journal of Materials Chemistry C","2016","4","","5564","5571","10.1039/C6TC01819J","powder diffraction","","1.54059","CuKα","","","","","","","","","","1.1934","","","","","","","has coordinates","220366","2020-10-21","18:00:00",""
"7234840","11.299","0.0003","12.8774","0.0003","17.2581","0.0004","90","","105.688","0.0005","90","","2417.54","0.1","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ga_pristine","","","- C27 H21 Cl2 Ga N2 -","- C27 H21 Cl2 Ga N2 -","- C108 H84 Cl8 Ga4 N8 -","4","1","","Shunichiro Ito; Amane Hirose; Madoka Yamaguchi; Kazuo Tanaka; Yoshiki Chujo","Size-discrimination of volatile organic compounds utilizing gallium diiminate by luminescent chromism of crystallization-induced emission via encapsulation-triggered crystal-crystal transition","Journal of Materials Chemistry C","2016","4","","5564","5571","10.1039/C6TC01819J","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.4272","","","","","","","has coordinates","220366","2020-10-21","18:00:00",""
"7234841","29.5356","0.0007","29.5356","0.0007","5.99455","0.00014","90","","90","","90","","5229.4","0.2","298","","298","","","","","","","","","6","I 41 m d","I 4bw -2","109","Ga_furan","","","- C29 H23 Cl2 Ga N2 O0.5 -","- C28.75 H23 Cl2 Ga N2 O0.5 -","- C230 H184 Cl16 Ga8 N16 O4 -","8","0.5","","Shunichiro Ito; Amane Hirose; Madoka Yamaguchi; Kazuo Tanaka; Yoshiki Chujo","Size-discrimination of volatile organic compounds utilizing gallium diiminate by luminescent chromism of crystallization-induced emission via encapsulation-triggered crystal-crystal transition","Journal of Materials Chemistry C","2016","4","","5564","5571","10.1039/C6TC01819J","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.0409","","","","","","","has coordinates","220366","2020-10-21","18:00:00",""
"7234860","36.085","0.007","17.076","0.003","17.762","0.004","90","","110.34","0.03","90","","10262","4","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H31 B F20 Ir N5 O2 -","- C56 H31 B F20 Ir N5 O2 -","- C448 H248 B8 F160 Ir8 N40 O16 -","8","1","","Dongxin Ma; Chen Zhang; Yong Qiu; Lian Duan","Highly efficient blue-green organic light-emitting diodes achieved by controlling the anionic migration of cationic iridium(iii) complexes","Journal of Materials Chemistry C","2016","4","","5731","5738","10.1039/C6TC01302C","","","0.71073","MoKα","","0.0501","0.0477","","","0.1102","0.1116","","","","","","1.197","","","","has coordinates,has disorder","220537","2020-10-21","18:00:00",""
"7234861","10.625","0.002","15.478","0.003","32.301","0.007","90","","90","","90","","5312","1.8","","","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H23 B F3.569 Ir N5 -","- C30 H23 B F3.58 Ir N5 -","- C240 H184 B8 F28.64 Ir8 N40 -","8","1","","Dongxin Ma; Chen Zhang; Yong Qiu; Lian Duan","Highly efficient blue-green organic light-emitting diodes achieved by controlling the anionic migration of cationic iridium(iii) complexes","Journal of Materials Chemistry C","2016","4","","5731","5738","10.1039/C6TC01302C","","","0.71073","MoKα","","0.1104","0.0898","","","0.2274","0.251","","","","","","1.4862","","","","has coordinates,has disorder","220537","2020-10-21","18:00:00",""
"7234862","9.2347","0.001","15.8096","0.0017","12.127","0.001","90","","113.975","0.006","90","","1617.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Yanze Liu; Yunxiang Lei; Miaochang Liu; Fei Li; Hongping Xiao; Jiuxi Chen; Xiaobo Huang; Wenxia Gao; Huayue Wu; Yixiang Cheng","The effect of N-alkyl chain length on the photophysical properties of indene-1,3-dionemethylene-1,4-dihydropyridine derivatives","Journal of Materials Chemistry C","2016","4","","5970","5980","10.1039/C6TC01877G","","","0.71073","MoKα","","0.0393","0.0354","","","0.1067","0.1104","","","","","","1.034","","","","has coordinates","220538","2020-10-21","18:00:00",""
"7234863","7.9388","0.0015","8.0318","0.0015","17.599","0.003","82.094","0.003","88.252","0.003","65.864","0.003","1013.9","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N O2 -","- C24 H29 N O2 -","- C48 H58 N2 O4 -","2","1","","Yanze Liu; Yunxiang Lei; Miaochang Liu; Fei Li; Hongping Xiao; Jiuxi Chen; Xiaobo Huang; Wenxia Gao; Huayue Wu; Yixiang Cheng","The effect of N-alkyl chain length on the photophysical properties of indene-1,3-dionemethylene-1,4-dihydropyridine derivatives","Journal of Materials Chemistry C","2016","4","","5970","5980","10.1039/C6TC01877G","","","0.71073","MoKα","","0.0778","0.0719","","","0.2329","0.245","","","","","","1.096","","","","has coordinates","220538","2020-10-21","18:00:00",""
"7234864","8.9842","0.0017","25.762","0.004","15.533","0.002","90","","124.28","0.007","90","","2970.6","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C69 H62 N2 O5 -","- C69 H62 N2 O5 -","- C138 H124 N4 O10 -","2","0.5","","Yanze Liu; Yunxiang Lei; Miaochang Liu; Fei Li; Hongping Xiao; Jiuxi Chen; Xiaobo Huang; Wenxia Gao; Huayue Wu; Yixiang Cheng","The effect of N-alkyl chain length on the photophysical properties of indene-1,3-dionemethylene-1,4-dihydropyridine derivatives","Journal of Materials Chemistry C","2016","4","","5970","5980","10.1039/C6TC01877G","","","0.71073","MoKα","","0.1266","0.0787","","","0.2046","0.2459","","","","","","1.004","","","","has coordinates","220538","2020-10-21","18:00:00",""
"7234865","8.5014","0.0004","12.7359","0.0006","16.5492","0.0008","109.704","0.002","97.327","0.002","95.42","0.002","1654.91","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H35 Cl3 N O3 -","- C37 H35 Cl3 N O3 -","- C74 H70 Cl6 N2 O6 -","2","1","","Yanze Liu; Yunxiang Lei; Miaochang Liu; Fei Li; Hongping Xiao; Jiuxi Chen; Xiaobo Huang; Wenxia Gao; Huayue Wu; Yixiang Cheng","The effect of N-alkyl chain length on the photophysical properties of indene-1,3-dionemethylene-1,4-dihydropyridine derivatives","Journal of Materials Chemistry C","2016","4","","5970","5980","10.1039/C6TC01877G","","","1.54178","CuKα","","0.1711","0.0869","","","0.226","0.2588","","","","","","0.992","","","","has coordinates","220538","2020-10-21","18:00:00",""
"7234866","8.286","0.003","10.555","0.004","7.814","0.004","90","","95.42","0.03","90","","680.3","0.5","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMeO-BTBT","","- C16 H12 O2 S2 -","- C16 H12 O2 S2 -","- C32 H24 O4 S4 -","2","0.5","","Toshiki Higashino; Masaki Dogishi; Tomofumi Kadoya; Ryonosuke Sato; Tadashi Kawamoto; Takehiko Mori","Air-stable n-channel organic field-effect transistors based on charge-transfer complexes including dimethoxybenzothienobenzothiophene and tetracyanoquinodimethane derivatives","Journal of Materials Chemistry C","2016","4","","5981","5987","10.1039/C6TC01532H","","","0.71069","MoKα","","","0.0327","","","","0.0947","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234867","8.693","0.003","9.371","0.004","7.302","0.004","93.55","0.04","97.81","0.04","89.44","0.03","588.2","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","","(DMeO-BTBT)(TCNQ)","","- C28 H16 N4 O2 S2 -","- C28 H16 N4 O2 S2 -","- C28 H16 N4 O2 S2 -","1","0.5","","Toshiki Higashino; Masaki Dogishi; Tomofumi Kadoya; Ryonosuke Sato; Tadashi Kawamoto; Takehiko Mori","Air-stable n-channel organic field-effect transistors based on charge-transfer complexes including dimethoxybenzothienobenzothiophene and tetracyanoquinodimethane derivatives","Journal of Materials Chemistry C","2016","4","","5981","5987","10.1039/C6TC01532H","","","0.71069","MoKα","","","0.0396","","","","0.1055","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234868","7.777","0.002","11.695","0.004","7.117","0.003","94.34","0.03","105.31","0.03","72.63","0.02","595.9","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","","(DMeO-BTBT)(F2-TCNQ)","","- C28 H14 F2 N4 O2 S2 -","- C28 H14 F2 N4 O2 S2 -","- C28 H14 F2 N4 O2 S2 -","1","0.5","","Toshiki Higashino; Masaki Dogishi; Tomofumi Kadoya; Ryonosuke Sato; Tadashi Kawamoto; Takehiko Mori","Air-stable n-channel organic field-effect transistors based on charge-transfer complexes including dimethoxybenzothienobenzothiophene and tetracyanoquinodimethane derivatives","Journal of Materials Chemistry C","2016","4","","5981","5987","10.1039/C6TC01532H","","","0.71069","MoKα","","","0.0568","","","","0.1597","","","","","","0.955","","","","has coordinates,has disorder","301866","2025-08-22","21:38:29",""
"7234869","7.971","0.003","11.72","0.006","7.066","0.003","94.55","0.04","105.54","0.03","71.28","0.03","602.3","0.5","298","","298","","","","","","","","","6","P -1","-P 1","2","","(DMeO-BTBT)(F4-TCNQ)","","- C28 H12 F4 N4 O2 S2 -","- C28 H12 F4 N4 O2 S2 -","- C28 H12 F4 N4 O2 S2 -","1","0.5","","Toshiki Higashino; Masaki Dogishi; Tomofumi Kadoya; Ryonosuke Sato; Tadashi Kawamoto; Takehiko Mori","Air-stable n-channel organic field-effect transistors based on charge-transfer complexes including dimethoxybenzothienobenzothiophene and tetracyanoquinodimethane derivatives","Journal of Materials Chemistry C","2016","4","","5981","5987","10.1039/C6TC01532H","","","0.71069","MoKα","","","0.0964","","","","0.3494","","","","","","1.311","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234870","12.9601","0.0006","16.5337","0.0008","18.6183","0.001","90","","105.737","0.005","90","","3840","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H0.25 N6 O2 Pt2 S2 -","- C46 H30 N6 O2 Pt2 S2 -","- C184 H120 N24 O8 Pt8 S8 -","4","1","","Wenjing Xiong; Fanyuan Meng; Hua Tan; Yafei Wang; Pu Wang; Youming Zhang; Qiang Tao; Shijian Su; Weiguo Zhu","Dinuclear platinum complexes containing aryl-isoquinoline and oxadiazole-thiol with an efficiency of over 8.8%: in-depth investigation of the relationship between their molecular structure and near-infrared electroluminescent properties in PLEDs","Journal of Materials Chemistry C","2016","4","","6007","6015","10.1039/C6TC00825A","","x-ray","0.71073","MoKα","","0.1136","0.0733","","","0.1669","0.2022","","","","","","0.994","","","","has coordinates","220540","2020-10-21","18:00:00",""
"7234871","23.492","0.0015","9.2655","0.0005","22.1072","0.0012","90","","92.766","0.004","90","","4806.4","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H23 N O S2 -","- C31 H23 N O S2 -","- C248 H184 N8 O8 S16 -","8","1","","G. Turkoglu; M. E. Cinar; A. Buyruk; E. Tekin; S. P. Mucur; K. Kaya; T. Ozturk","Novel organoboron compounds derived from thieno[3,2-b]thiophene and triphenylamine units for OLED devices","Journal of Materials Chemistry C","2016","4","","6045","6053","10.1039/C6TC01285J","","","0.71073","MoKα","","0.036","0.0323","","","0.084","0.0878","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234872","37.895","0.011","11.54","0.003","16.393","0.005","90","","102.316","0.009","90","","7004","3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H36 B N O2 S2 -","- C41 H36 B N O2 S2 -","- C328 H288 B8 N8 O16 S16 -","8","2","","G. Turkoglu; M. E. Cinar; A. Buyruk; E. Tekin; S. P. Mucur; K. Kaya; T. Ozturk","Novel organoboron compounds derived from thieno[3,2-b]thiophene and triphenylamine units for OLED devices","Journal of Materials Chemistry C","2016","4","","6045","6053","10.1039/C6TC01285J","","","0.71073","MoKα","","0.041","0.0354","","","0.0792","0.0817","","","","","","0.999","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234873","12.7147","0.0006","13.4286","0.0006","13.6609","0.0006","118.723","0.002","97.87","0.002","94.81","0.002","1995.91","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H44 B N O S2 -","- C49 H44 B N O S2 -","- C98 H88 B2 N2 O2 S4 -","2","1","","G. Turkoglu; M. E. Cinar; A. Buyruk; E. Tekin; S. P. Mucur; K. Kaya; T. Ozturk","Novel organoboron compounds derived from thieno[3,2-b]thiophene and triphenylamine units for OLED devices","Journal of Materials Chemistry C","2016","4","","6045","6053","10.1039/C6TC01285J","","","0.71073","MoKα","","0.0524","0.0407","","","0.1062","0.1158","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234874","13.445","0.003","3.727","0.0007","9.646","0.0019","90","","106.44","0.03","90","","463.6","0.18","293","2","293","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Tri gadolinium di nickel","","- Gd3 Ni2 -","- Gd3 Ni2 -","- Gd12 Ni8 -","4","0.5","","Alessia Provino; Volodymyr Smetana; Durga Paudyal; Karl A. Gschneidner, Jr.; Anja-Verena Mudring; Vitalij K. Pecharsky; Pietro Manfrinetti; Marina Putti","Gd3Ni2 and Gd3CoxNi2-x: magnetism and unexpected Co/Ni crystallographic ordering","Journal of Materials Chemistry C","2016","4","","6078","6089","10.1039/C6TC01035K","","","0.71073","MoKα","","0.0619","0.0379","","","0.0633","0.0685","","","","","","1.037","","","","has coordinates","220542","2020-10-21","18:00:00",""
"7234875","13.407","0.002","3.8118","0.0007","9.5351","0.0019","90","","109.079","0.01","90","","460.52","0.15","296","2","296","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Tri gadolinium cobalt nickel","","- Co Gd3 Ni -","- Co Gd3 Ni -","- Co4 Gd12 Ni4 -","4","0.5","","Alessia Provino; Volodymyr Smetana; Durga Paudyal; Karl A. Gschneidner, Jr.; Anja-Verena Mudring; Vitalij K. Pecharsky; Pietro Manfrinetti; Marina Putti","Gd3Ni2 and Gd3CoxNi2-x: magnetism and unexpected Co/Ni crystallographic ordering","Journal of Materials Chemistry C","2016","4","","6078","6089","10.1039/C6TC01035K","","","0.71073","MoKα","","0.0389","0.0315","","","0.0755","0.1096","","","","","","1.234","","","","has coordinates","220542","2020-10-21","18:00:00",""
"7234876","12.7978","0.0001","14.9854","0.0003","16.8833","0.0003","84.385","0.008","74.318","0.008","70.229","0.007","2933.52","0.19","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C107 H88 Au2 Cl8 N2 O8 P6 Pt S2 -","- C104 H82 Au2 Cl2 N2 O8 P6 Pt S2 -","- C104 H82 Au2 Cl2 N2 O8 P6 Pt S2 -","1","0.5","","Xian-Chong Zeng; Jin-Yun Wang; Liang-Jin Xu; Hui-Min Wen; Zhong-Ning Chen","Solution-processed OLEDs based on phosphorescent PtAu2 complexes with phenothiazine-functionalized acetylides","Journal of Materials Chemistry C","2016","4","","6096","6103","10.1039/C6TC01539E","","","0.71073","MoKα","","0.0574","0.0489","","","0.144","0.1482","","","","","","0.995","","","","has coordinates","220543","2020-10-21","18:00:00",""
"7234877","10.0671","0.0005","10.865","0.0005","19.0097","0.0012","101.792","0.003","101.965","0.003","104.347","0.002","1897.56","0.18","295","","295.15","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 Dy2 N16 O22 -","- C72 H68 Dy2 N16 O22 -","- C72 H68 Dy2 N16 O22 -","1","0.5","","Soumyabrata Roy; Oinam Bijeta Chanu; Sumanta Sarkar; Sebastian C. Peter","Selective colorimetric detection of Cu2+ by lanthanide based hybrid complexes associated with a single crystal growth mediated transformation","Journal of Materials Chemistry C","2016","4","","6256","6269","10.1039/C6TC00785F","","","0.71073","MoKα","","0.1171","0.0653","","","0.1615","0.2162","","","","","","1.044","","","","has coordinates","220544","2020-10-21","18:00:00",""
"7234878","8.3654","0.0011","9.0861","0.0013","17.047","0.003","76.876","0.006","89.866","0.006","67.226","0.005","1158.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H44 N4 Nd2 O24 -","- C32 H44 N4 Nd2 O24 -","- C32 H44 N4 Nd2 O24 -","1","0.5","","Soumyabrata Roy; Oinam Bijeta Chanu; Sumanta Sarkar; Sebastian C. Peter","Selective colorimetric detection of Cu2+ by lanthanide based hybrid complexes associated with a single crystal growth mediated transformation","Journal of Materials Chemistry C","2016","4","","6256","6269","10.1039/C6TC00785F","","","0.71073","MoKα","","0.0485","0.0387","","","0.0896","0.0948","","","","","","1.067","","","","has coordinates,has disorder","220544","2020-10-21","18:00:00",""
"7234879","17.3672","0.0015","7.1242","0.0006","14.5591","0.0013","90","","101.285","0.005","90","","1766.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Cu2 N4 O24 -","- C28 H32 Cu2 N4 O24 -","- C56 H64 Cu4 N8 O48 -","2","0.5","","Soumyabrata Roy; Oinam Bijeta Chanu; Sumanta Sarkar; Sebastian C. Peter","Selective colorimetric detection of Cu2+ by lanthanide based hybrid complexes associated with a single crystal growth mediated transformation","Journal of Materials Chemistry C","2016","4","","6256","6269","10.1039/C6TC00785F","","","0.71073","MoKα","","0.1013","0.0623","","","0.1544","0.1795","","","","","","1.073","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234883","21.49","0.02","7.949","0.009","15.222","0.017","90","","90.696","0.013","90","","2600","5","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- H4 La2 N10 Na4 O32 -","- H4 La2 N10 Na4 O32 -","- H16 La8 N40 Na16 O128 -","4","1","","Bing-Hua Lei; Qingrong Kong; Zhihua Yang; Yun Yang; Ying Wang; Shilie Pan","Hierarchized band gap and enhanced optical responses of trivalent rare-earth metal nitrates due to (d-p)pi conjugation interactions","Journal of Materials Chemistry C","2016","4","","6295","6301","10.1039/C6TC01512C","","","0.71073","MoKα","","0.0994","0.0449","","","0.0833","0.1053","","","","","","0.932","","","","has coordinates","220589","2020-10-21","18:00:00",""
"7234884","34.635","0.003","7.3106","0.0007","6.5139","0.0006","90","","90.186","0.002","90","","1649.3","0.3","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl Gd3 H8 O8 -","- Cl Gd3 O8 -","- Cl8 Gd24 O64 -","8","1","","Yanyan Wang; Lei Qin; Guo-Jun Zhou; Xinxin Ye; Jiaqing He; Yan-Zhen Zheng","High-performance low-temperature magnetic refrigerants made of gadolinium-hydroxy-chloride","Journal of Materials Chemistry C","2016","4","","6473","6477","10.1039/C6TC01291D","","","0.71073","MoKα","","0.0609","0.0526","","","0.1411","0.1531","","","","","","1.176","","","","has coordinates","220590","2020-10-21","18:00:00",""
"7234885","6.18","0.007","3.757","0.004","6.734","0.007","90","","111.075","0.017","90","","145.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl Gd H2 O2 -","- Cl Gd H2 O2 -","- Cl2 Gd2 H4 O4 -","2","0.5","","Yanyan Wang; Lei Qin; Guo-Jun Zhou; Xinxin Ye; Jiaqing He; Yan-Zhen Zheng","High-performance low-temperature magnetic refrigerants made of gadolinium-hydroxy-chloride","Journal of Materials Chemistry C","2016","4","","6473","6477","10.1039/C6TC01291D","","","0.71073","MoKα","","0.0379","0.0342","","","0.0858","0.0882","","","","","","1.118","","","","has coordinates","220590","2020-10-21","18:00:00",""
"7234886","14.74","0.003","14.827","0.003","18.17","0.004","90","","90","","90","","3971.1","1.4","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H18 B F2 N5 O4 -","- C18 H18 B F2 N5 O4 -","- C144 H144 B8 F16 N40 O32 -","8","1","","Ryan R. Maar; Joe B. Gilroy","Aggregation-induced emission enhancement in boron difluoride complexes of 3-cyanoformazanates","Journal of Materials Chemistry C","2016","4","","6478","6482","10.1039/C6TC01782G","","","1.54178","CuKα","","0.0313","0.0296","","","0.074","0.0753","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234887","5.6328","0.0005","11.2617","0.001","11.2686","0.001","86.443","0.001","77.439","0.001","85.486","0.001","694.81","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2-(4-dicyanomethylenecyclohexa-2,5-dieny1idene)-imidazolidine.DMF","","","- C15 H17 N5 O -","- C15 H17 N5 O -","- C30 H34 N10 O2 -","2","1","","P. Srujana; Tarun Gera; T. P. Radhakrishnan","Fluorescence enhancement in crystals tuned by a molecular torsion angle: a model to analyze structural impact","Journal of Materials Chemistry C","2016","4","","6510","6515","10.1039/C6TC01610C","","","0.71073","MoKα","","0.0375","0.036","","","0.1","0.1016","","","","","","1.047","","","","has coordinates","220592","2020-10-21","18:00:00",""
"7234888","14.7692","0.0012","7.355","0.0006","24.42","0.002","90","","105.388","0.001","90","","2557.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(4-dicyanomethylenecyclohexa-2,5-dieny1idene)-1-ethylimidazolidine.","","","- C14 H15 N4 O0.5 -","- C14 H15 N4 O0.5 -","- C112 H120 N32 O4 -","8","2","","P. Srujana; Tarun Gera; T. P. Radhakrishnan","Fluorescence enhancement in crystals tuned by a molecular torsion angle: a model to analyze structural impact","Journal of Materials Chemistry C","2016","4","","6510","6515","10.1039/C6TC01610C","","","0.71073","MoKα","","0.073","0.0594","","","0.121","0.1278","","","","","","1.127","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7234889","9.1349","0.0006","11.5867","0.0007","11.7632","0.0007","90","","98.442","0.001","90","","1231.57","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-(4-dicyanomethylenecyclohexa-2,5-dieny1idene)-1,3-dimethylimidazolidine","","","- C14 H14 N4 -","- C14 H14 N4 -","- C56 H56 N16 -","4","1","","P. Srujana; Tarun Gera; T. P. Radhakrishnan","Fluorescence enhancement in crystals tuned by a molecular torsion angle: a model to analyze structural impact","Journal of Materials Chemistry C","2016","4","","6510","6515","10.1039/C6TC01610C","","","0.71073","MoKα","","0.0378","0.0353","","","0.0905","0.0925","","","","","","1.05","","","","has coordinates","220592","2020-10-21","18:00:00",""
"7234890","9.5084","0.0006","10.1887","0.0006","29.8085","0.0017","87.885","0.004","83.205","0.004","80.832","0.004","2830.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H78 N6 O6 -","- C60 H78 N6 O6 -","- C120 H156 N12 O12 -","2","1","","Suraj Kumar Pathak; Balaram Pradhan; Ravindra Kumar Gupta; Monika Gupta; Santanu Kumar Pal; Ammathnadu S. Achalkumar","Aromatic pi-pi driven supergelation, aggregation induced emission and columnar self-assembly of star-shaped 1,2,4-oxadiazole derivatives","Journal of Materials Chemistry C","2016","4","","6546","6561","10.1039/C6TC01939K","","","0.71073","MoKα","","0.1543","0.0674","","","0.1695","0.2203","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234891","19.0077","0.0007","15.6418","0.0006","8.2319","0.0003","90","","97.654","0.004","90","","2425.66","0.16","175","","175","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Br2 O2 S2 -","- C26 H26 Br2 O2 S2 -","- C104 H104 Br8 O8 S8 -","4","1","","Gilles H. Roche; Yu-Tang Tsai; Simon Clevers; Damien Thuau; Frederic Castet; Yves H. Geerts; Joel J. E. Moreau; Guillaume Wantz; Olivier J. Dautel","The role of H-bonds in the solid state organization of [1]benzothieno[3,2-b][1]benzothiophene (BTBT) structures: bis(hydroxy-hexyl)-BTBT, as a functional derivative offering efficient air stable organic field effect transistors (OFETs)","Journal of Materials Chemistry C","2016","4","","6742","6749","10.1039/C6TC01814A","","","1.5418","CuKα","","0.1223","0.1194","","0.1133","0.1096","0.1096","","","","","","0.9036","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234892","8.446","0.0003","5.58942","0.00019","50.2534","0.0015","90","","92.829","0.003","90","","2369.48","0.14","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","Gilles H. Roche; Yu-Tang Tsai; Simon Clevers; Damien Thuau; Frederic Castet; Yves H. Geerts; Joel J. E. Moreau; Guillaume Wantz; Olivier J. Dautel","The role of H-bonds in the solid state organization of [1]benzothieno[3,2-b][1]benzothiophene (BTBT) structures: bis(hydroxy-hexyl)-BTBT, as a functional derivative offering efficient air stable organic field effect transistors (OFETs)","Journal of Materials Chemistry C","2016","4","","6742","6749","10.1039/C6TC01814A","","","0.71073","MoKα","","0.0403","0.0357","","0.0303","0.0272","0.0272","","","","","","1.0996","","","","has coordinates","220594","2020-10-21","18:00:00",""
"7234894","14.4602","0.001","12.4339","0.0009","23.7507","0.0017","90","","107.564","0.001","90","","4071.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H120 As8 In8 -","- C56 H120 As8 In8 -","- C112 H240 As16 In16 -","2","0.5","","Peter Marchand; Sanjayan Sathasivam; Benjamin A. D. Williamson; David Pugh; Salem M. Bawaked; Sulaiman N. Basahel; Abdullah Y. Obaid; David O. Scanlon; Ivan P. Parkin; Claire J. Carmalt","A single-source precursor approach to solution processed indium arsenide thin films","Journal of Materials Chemistry C","2016","4","","6761","6768","10.1039/C6TC02293F","","","0.71075","MoKα","","0.0482","0.0324","","","0.0678","0.0749","","","","","","1.05","","","","has coordinates,has disorder","222409","2020-10-21","18:00:00",""
"7234895","10.1788","0.0005","12.4494","0.0007","12.8652","0.0006","67.749","0.005","85.414","0.004","78.057","0.005","1476.21","0.14","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H27 N3 O S -","- C41 H30 N3 O S -","- C82 H60 N6 O2 S2 -","2","1","","Sunil Kumar; Meenu Singh; Jwo-Huei Jou; Subrata Ghosh","Trend breaking substitution pattern of phenothiazine with acceptors as a rational design platform for blue emitters","Journal of Materials Chemistry C","2016","4","","6769","6777","10.1039/C6TC01367H","","x-ray","0.71073","MoKα","","0.0758","0.0662","","","0.1728","0.181","","","","","","1.09","","","","has coordinates,has disorder","222425","2020-10-21","18:00:00",""
"7234896","14.328","0.0009","15.8222","0.0008","16.519","0.001","90","","93.784","0.005","90","","3736.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 N6 O5 S -","- C42 H38 N6 O5 S -","- C168 H152 N24 O20 S4 -","4","1","","Sunil Kumar; Meenu Singh; Jwo-Huei Jou; Subrata Ghosh","Trend breaking substitution pattern of phenothiazine with acceptors as a rational design platform for blue emitters","Journal of Materials Chemistry C","2016","4","","6769","6777","10.1039/C6TC01367H","","x-ray","0.71073","MoKα","","0.1289","0.0855","","","0.2458","0.2836","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234897","10.4101","0.0006","12.6325","0.0006","13.2754","0.0006","91.976","0.004","92.533","0.004","113.252","0.005","1599.86","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 F3 N3 O7 -","- C34 H30 F3 N3 O7 -","- C68 H60 F6 N6 O14 -","2","1","","Ling Chen; Shao-Yun Yin; Mei Pan; Kai Wu; Hai-Ping Wang; Ya-Nan Fan; Cheng-Yong Su","A naked eye colorimetric sensor for alcohol vapor discrimination and amplified spontaneous emission (ASE) from a highly fluorescent excited-state intramolecular proton transfer (ESIPT) molecule","Journal of Materials Chemistry C","2016","4","","6962","6966","10.1039/C6TC01308B","","","0.71","MoKα","","0.1111","0.0739","","","0.1701","0.1921","","","","","","1.071","","","","has coordinates,has disorder","301866","2025-08-22","21:38:29",""
"7234898","9.4844","0.0005","11.976","0.0006","12.6807","0.0006","70.466","0.004","70.427","0.004","75.767","0.004","1264.39","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 F3 N2 O6 -","- C30 H21 F3 N2 O6 -","- C60 H42 F6 N4 O12 -","2","1","","Ling Chen; Shao-Yun Yin; Mei Pan; Kai Wu; Hai-Ping Wang; Ya-Nan Fan; Cheng-Yong Su","A naked eye colorimetric sensor for alcohol vapor discrimination and amplified spontaneous emission (ASE) from a highly fluorescent excited-state intramolecular proton transfer (ESIPT) molecule","Journal of Materials Chemistry C","2016","4","","6962","6966","10.1039/C6TC01308B","","","0.71073","MoKα","","0.0824","0.0492","","","0.1055","0.1212","","","","","","1.001","","","","has coordinates","222461","2020-10-21","18:00:00",""
"7234899","10.3694","0.0003","12.9551","0.0005","13.3347","0.0005","87.15","0.003","86.739","0.003","66.714","0.003","1642.03","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H31 F3 N4 O7 -","- C35 H31 F3 N4 O7 -","- C70 H62 F6 N8 O14 -","2","1","","Ling Chen; Shao-Yun Yin; Mei Pan; Kai Wu; Hai-Ping Wang; Ya-Nan Fan; Cheng-Yong Su","A naked eye colorimetric sensor for alcohol vapor discrimination and amplified spontaneous emission (ASE) from a highly fluorescent excited-state intramolecular proton transfer (ESIPT) molecule","Journal of Materials Chemistry C","2016","4","","6962","6966","10.1039/C6TC01308B","","","1.54178","CuKα","","0.0457","0.0383","","","0.1028","0.1099","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234900","9.1127","0.0003","12.7452","0.0007","14.6534","0.0009","89.06","0.005","89.138","0.004","69.885","0.004","1597.79","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H32 F3 N3 O7 -","- C35 H32 F3 N3 O7 -","- C70 H64 F6 N6 O14 -","2","1","","Ling Chen; Shao-Yun Yin; Mei Pan; Kai Wu; Hai-Ping Wang; Ya-Nan Fan; Cheng-Yong Su","A naked eye colorimetric sensor for alcohol vapor discrimination and amplified spontaneous emission (ASE) from a highly fluorescent excited-state intramolecular proton transfer (ESIPT) molecule","Journal of Materials Chemistry C","2016","4","","6962","6966","10.1039/C6TC01308B","","","0.71073","MoKα","","0.0754","0.0545","","","0.1348","0.1473","","","","","","0.999","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234901","14.8457","0.0002","20.0452","0.0003","16.2309","0.0002","90","","104.788","0.001","90","","4670.09","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H17 F3 N2 O5 -","- C29 H17 F3 N2 O5 -","- C232 H136 F24 N16 O40 -","8","2","","Ling Chen; Shao-Yun Yin; Mei Pan; Kai Wu; Hai-Ping Wang; Ya-Nan Fan; Cheng-Yong Su","A naked eye colorimetric sensor for alcohol vapor discrimination and amplified spontaneous emission (ASE) from a highly fluorescent excited-state intramolecular proton transfer (ESIPT) molecule","Journal of Materials Chemistry C","2016","4","","6962","6966","10.1039/C6TC01308B","","","0.71","MoKα","","0.0612","0.0476","","","0.1341","0.1483","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234902","14.1247","0.0005","10.541","0.0004","14.3333","0.0004","90","","93.617","0.003","90","","2129.81","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H17 F3 N2 O -","- C27 H17 F3 N2 O -","- C108 H68 F12 N8 O4 -","4","1","","Ling Chen; Shao-Yun Yin; Mei Pan; Kai Wu; Hai-Ping Wang; Ya-Nan Fan; Cheng-Yong Su","A naked eye colorimetric sensor for alcohol vapor discrimination and amplified spontaneous emission (ASE) from a highly fluorescent excited-state intramolecular proton transfer (ESIPT) molecule","Journal of Materials Chemistry C","2016","4","","6962","6966","10.1039/C6TC01308B","","","0.71073","MoKα","","0.0923","0.0522","","","0.1509","0.1789","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234903","9.6401","0.0003","26.2037","0.0008","9.8735","0.0004","90","","109.829","0.004","90","","2346.23","0.15","97.2","0.6","97.2","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","1","","Qiuhua Zhu; Weijie Yang; Sichao Zheng; Herman H. Y. Sung; Ian D. Williams; Shuwen Liu; Ben Zhong Tang","Reversible thermo-stimulus solid-state fluorescence-colour/on-off switching and uses as sensitive fluorescent thermometers in different temperature ranges","Journal of Materials Chemistry C","2016","4","","7383","7386","10.1039/C6TC01887D","","x-ray","1.5418","CuKα","","0.0501","0.0456","","","0.1159","0.1217","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234904","9.65524","0.00016","26.2814","0.0003","9.90428","0.00018","90","","110.134","0.002","90","","2359.66","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","1","","Qiuhua Zhu; Weijie Yang; Sichao Zheng; Herman H. Y. Sung; Ian D. Williams; Shuwen Liu; Ben Zhong Tang","Reversible thermo-stimulus solid-state fluorescence-colour/on-off switching and uses as sensitive fluorescent thermometers in different temperature ranges","Journal of Materials Chemistry C","2016","4","","7383","7386","10.1039/C6TC01887D","","","1.54184","CuKα","","0.0424","0.0356","","","0.0874","0.0912","","","","","","1.06","","","","has coordinates,has disorder","301866","2025-08-22","21:38:29",""
"7234905","9.6807","0.0002","26.3829","0.0006","9.9379","0.0003","90","","110.33","0.003","90","","2380.08","0.11","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","1","","Qiuhua Zhu; Weijie Yang; Sichao Zheng; Herman H. Y. Sung; Ian D. Williams; Shuwen Liu; Ben Zhong Tang","Reversible thermo-stimulus solid-state fluorescence-colour/on-off switching and uses as sensitive fluorescent thermometers in different temperature ranges","Journal of Materials Chemistry C","2016","4","","7383","7386","10.1039/C6TC01887D","","","1.54184","CuKα","","0.0609","0.0423","","","0.0996","0.1093","","","","","","0.997","","","","has coordinates,has disorder","301866","2025-08-22","21:38:29",""
"7234906","12.279","0.003","16.264","0.003","36.106","0.007","90","","90","","90","","7211","3","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C48 H34 N4 -","- C48 H34 N4 -","- C384 H272 N32 -","8","2","","Chuan Li; Muddasir Hanif; Xianglong Li; Shitong Zhang; Zengqi Xie; Linlin Liu; Bing Yang; Shijian Su; Yuguang Ma","Effect of cyano-substitution in distyrylbenzene derivatives on their fluorescence and electroluminescence properties","Journal of Materials Chemistry C","2016","4","","7478","7484","10.1039/C6TC01886F","","","0.71073","MoKα","","0.2423","0.0531","","","0.0843","0.1358","","","","","","0.823","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234907","9.5046","0.0019","9.874","0.002","19.372","0.004","81.04","0.03","81.1","0.03","89.66","0.03","1773.9","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H34 N4 -","- C48 H34 N4 -","- C96 H68 N8 -","2","1","","Chuan Li; Muddasir Hanif; Xianglong Li; Shitong Zhang; Zengqi Xie; Linlin Liu; Bing Yang; Shijian Su; Yuguang Ma","Effect of cyano-substitution in distyrylbenzene derivatives on their fluorescence and electroluminescence properties","Journal of Materials Chemistry C","2016","4","","7478","7484","10.1039/C6TC01886F","","","0.71073","MoKα","","0.2824","0.089","","","0.2266","0.3725","","","","","","0.878","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234908","9.4129","0.0003","9.5475","0.0003","23.9584","0.0007","90","","90","","90","","2153.13","0.12","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H32 Br4 Cu N2 -","- C12 H32 Br4 Cu N2 -","- C48 H128 Br16 Cu4 N8 -","4","1","","Muhammad Adnan Asghar; Shuquan Zhang; Tariq Khan; Zhihua Sun; Aurang Zeb; Chengmin Ji; Lina Li; Sangen Zhao; Junhua Luo","Reversible phase transition driven by order-disorder transformations of metal-halide moieties in [(C6H14)NH2]2.CuBr4","Journal of Materials Chemistry C","2016","4","","7537","7540","10.1039/C6TC02034H","","","1.54184","CuKα","","0.044","0.0431","","","0.1092","0.1105","","","","","","1.042","","","","has coordinates","222548","2020-10-21","18:00:00",""
"7234909","9.4357","0.0005","9.5934","0.0005","24.6862","0.0008","90","","90","","90","","2234.61","0.18","173","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H32 Br4 Cu N2 -","- C12 H32 Br4 Cu N2 -","- C48 H128 Br16 Cu4 N8 -","4","1","","Muhammad Adnan Asghar; Shuquan Zhang; Tariq Khan; Zhihua Sun; Aurang Zeb; Chengmin Ji; Lina Li; Sangen Zhao; Junhua Luo","Reversible phase transition driven by order-disorder transformations of metal-halide moieties in [(C6H14)NH2]2.CuBr4","Journal of Materials Chemistry C","2016","4","","7537","7540","10.1039/C6TC02034H","","","1.54184","CuKα","","0.0509","0.0334","","","0.0702","0.0788","","","","","","1","","","","has coordinates,has disorder","222548","2020-10-21","18:00:00",""
"7234910","20.8899","0.0013","20.488","0.001","23.843","0.002","90","","106.869","0.008","90","","9765.5","1.2","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H60 B2 Si -","- C54 H60 B2 Si -","- C432 H480 B16 Si8 -","8","1","","Bin Chen; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Insights into the correlation between the molecular conformational change and AIE activity of 2,5-bis(dimesitylboryl)-3,4-diphenylsiloles","Journal of Materials Chemistry C","2016","4","","7541","7545","10.1039/C6TC02738E","","","0.71073","MoKα","","0.1378","0.0708","","","0.191","0.2273","","","","","","0.989","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234911","10.788","0.01","23.33","0.02","13.186","0.012","90","","97.821","0.009","90","","3288","5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 B N -","- C42 H40 B N -","- C168 H160 B4 N4 -","4","1","","Chen Wang; Yi Yuan; Sheng-Yong Li; Zuo-Bang Sun; Zuo-Quan Jiang; Cui-Hua Zhao","A highly twisted triarylborane-based biphenyl as an efficient host for blue and green phosphorescent OLEDs","Journal of Materials Chemistry C","2016","4","","7607","7613","10.1039/C6TC02451C","","","0.71","MoKα","","0.1191","0.064","","","0.1417","0.1757","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234912","17.866","0.003","9.2669","0.0017","21.413","0.004","90","","110.057","0.0019","90","","3330.2","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H0.25 B N -","- C42 H40 B N -","- C168 H160 B4 N4 -","4","1","","Chen Wang; Yi Yuan; Sheng-Yong Li; Zuo-Bang Sun; Zuo-Quan Jiang; Cui-Hua Zhao","A highly twisted triarylborane-based biphenyl as an efficient host for blue and green phosphorescent OLEDs","Journal of Materials Chemistry C","2016","4","","7607","7613","10.1039/C6TC02451C","","","0.71","MoKα","","0.0947","0.0539","","","0.1268","0.1517","","","","","","1.055","","","","has coordinates","222647","2020-10-21","18:00:00",""
"7234913","5.3294","0.0002","10.3097","0.0005","19.2218","0.0009","90","","90","","90","","1056.13","0.08","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Cl N2 O6 -","- C8 H11 Cl N2 O6 -","- C32 H44 Cl4 N8 O24 -","4","1","","Maciej Wojtas; Anna Gagor; Andrei L. Kholkin","Strong piezoelectricity in [H-beta-(2-pyridyl)-Ala-OH][BF4] and [H-beta-(2-pyridyl)-Ala-OH][ClO4] - new amino acid based hybrid crystals","Journal of Materials Chemistry C","2016","4","","7622","7631","10.1039/C6TC02206E","","","0.71073","MoKα","","0.0447","0.0325","","","0.0781","0.0832","","","","","","0.852","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234914","5.0586","0.0002","9.4971","0.0004","11.2012","0.0005","87.637","0.004","80.166","0.003","89.255","0.003","529.76","0.04","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C8 H11 B F4 N2 O2 -","- C8 H11 B F4 N2 O2 -","- C16 H22 B2 F8 N4 O4 -","2","2","","Maciej Wojtas; Anna Gagor; Andrei L. Kholkin","Strong piezoelectricity in [H-beta-(2-pyridyl)-Ala-OH][BF4] and [H-beta-(2-pyridyl)-Ala-OH][ClO4] - new amino acid based hybrid crystals","Journal of Materials Chemistry C","2016","4","","7622","7631","10.1039/C6TC02206E","","x-ray","0.71073","MoKα","","0.0599","0.0492","","","0.1102","0.1192","","","","","","1.137","","","","has coordinates,has disorder","222668","2020-10-21","18:00:00",""
"7234915","5.012","0.0002","9.4413","0.0004","11.0484","0.0005","88.242","0.004","80.518","0.003","89.255","0.003","515.41","0.04","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C8 H11 B F4 N2 O2 -","- C8 H11 B F4.0005 N2 O2 -","- C16 H22 B2 F8.001 N4 O4 -","2","2","","Maciej Wojtas; Anna Gagor; Andrei L. Kholkin","Strong piezoelectricity in [H-beta-(2-pyridyl)-Ala-OH][BF4] and [H-beta-(2-pyridyl)-Ala-OH][ClO4] - new amino acid based hybrid crystals","Journal of Materials Chemistry C","2016","4","","7622","7631","10.1039/C6TC02206E","","x-ray","0.71073","MoKα","","0.0495","0.0468","","","0.1174","0.1201","","","","","","1.156","","","","has coordinates","222668","2020-10-21","18:00:00",""
"7235011","47.441","0.002","5.6576","0.0003","35.9697","0.0017","90","","105.817","0.003","90","","9288.8","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H42 Cl3 N2 -","- C58 H42 Cl3 N2 -","- C464 H336 Cl24 N16 -","8","1","","Ruizhi Tang; Xinyang Wang; Wanzheng Zhang; Xiaodong Zhuang; Shuai Bi; Wenbei Zhang; Fan Zhang","Aromatic azaheterocycle-cored luminogens with tunable physical properties via nitrogen atoms for sensing strong acids","Journal of Materials Chemistry C","2016","4","","7640","7648","10.1039/C6TC02591A","","","1.54178","CuKα","","0.1647","0.1473","","","0.398","0.4133","","","","","","1.121","","","","has coordinates","227651","2020-10-21","18:00:00",""
"7235012","45.0139","0.0016","5.615","0.0002","19.2525","0.0007","90","","112.628","0.002","90","","4491.5","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C57 H42 Cl2 N2 O -","- C57 H42 Cl2 N2 O -","- C228 H168 Cl8 N8 O4 -","4","1","","Ruizhi Tang; Xinyang Wang; Wanzheng Zhang; Xiaodong Zhuang; Shuai Bi; Wenbei Zhang; Fan Zhang","Aromatic azaheterocycle-cored luminogens with tunable physical properties via nitrogen atoms for sensing strong acids","Journal of Materials Chemistry C","2016","4","","7640","7648","10.1039/C6TC02591A","","","1.54178","CuKα","","0.117","0.108","","","0.2904","0.3189","","","","","","1.452","","","","has coordinates,has disorder","227651","2020-10-21","18:00:00",""
"7235013","17.199","0.002","9.8597","0.0013","16.463","0.002","90","","90","","90","","2791.7","0.6","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H22 N12 Ni O2 S2 -","- C26 H22 N12 Ni O2 S2 -","- C104 H88 N48 Ni4 O8 S8 -","4","1","","Lin Sun; Sheng Zhang; Sanping Chen; Bing Yin; Yichen Sun; Zhenxing Wang; Zhongwen Ouyang; Jianlin Ren; Wenyuan Wang; Qing Wei; Gang Xie; Shengli Gao","A two-dimensional cobalt(ii) network with a remarkable positive axial anisotropy parameter exhibiting field-induced single-ion magnet behavior","Journal of Materials Chemistry C","2016","4","","7798","7808","10.1039/C6TC02234K","","","0.71073","MoKα","","0.0605","0.046","","","0.1173","0.1279","","","","","","1.049","","","","has coordinates","227652","2020-10-21","18:00:00",""
"7235014","17.246","0.007","9.876","0.004","16.48","0.007","90","","90","","90","","2807","2","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H22 Co N12 O2 S2 -","- C26 H22 Co N12 O2 S2 -","- C104 H88 Co4 N48 O8 S8 -","4","1","","Lin Sun; Sheng Zhang; Sanping Chen; Bing Yin; Yichen Sun; Zhenxing Wang; Zhongwen Ouyang; Jianlin Ren; Wenyuan Wang; Qing Wei; Gang Xie; Shengli Gao","A two-dimensional cobalt(ii) network with a remarkable positive axial anisotropy parameter exhibiting field-induced single-ion magnet behavior","Journal of Materials Chemistry C","2016","4","","7798","7808","10.1039/C6TC02234K","","","0.71073","MoKα","","0.1992","0.0923","","","0.2039","0.2491","","","","","","0.913","","","","has coordinates","227652","2020-10-21","18:00:00",""
"7235015","5.016","0.001","5.466","0.0011","16.124","0.003","93.12","0.03","96.16","0.03","93.03","0.03","438.11","0.15","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C4.5 H5 N O0.5 -","- C4.5 H5 N O0.5 -","- C18 H20 N4 O2 -","4","2","","Yang-Hui Luo; Qing-Ling Liu; Li-Jing Yang; Yu Sun; Jin-Wen Wang; Chao-Qun You; Bai-Wang Sun","Magnetic observation of above room-temperature spin transition in vesicular nano-spheres","Journal of Materials Chemistry C","2016","4","","8061","8069","10.1039/C6TC02796B","","","0.71073","MoKα","","0.1943","0.0795","","","0.1699","0.2173","","","","","","0.9548","","","","has coordinates","227653","2020-10-21","18:00:00",""
"7235016","10.1984","0.0003","10.1984","0.0003","8.7126","0.0004","90","","90","","120","","784.77","0.05","293","2","293","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- B10 Ba3 H5 Li O21 -","- B10 Ba3 H4.98 Li O20.99 -","- B20 Ba6 H9.96 Li2 O41.98 -","2","0.333333","","Chao Wu; Junling Song; Longhua Li; Mark G. Humphrey; Chi Zhang","Alkali metal-alkaline earth metal borate crystal LiBa3(OH)(B9O16)[B(OH)4] as a new deep-UV nonlinear optical material","Journal of Materials Chemistry C","2016","4","","8189","8196","10.1039/C6TC02306A","","","0.71073","MoKα","","0.0214","0.021","","","0.0455","0.0456","","","","","","1.13","","","","has coordinates","227654","2020-10-21","18:00:00",""
"7235017","19.293","0.003","4.0674","0.0007","20.37","0.004","90","","118.107","0.003","90","","1410","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C80 H48 N8 -","4","1","","Lingyan Zhu; Fei Tong; Norhan Zaghloul; Omar Baz; Christopher J. Bardeen; Rabih O. Al-Kaysi","Characterization of a P-type photomechanical molecular crystal based on the E -> Z photoisomerization of 9-divinylanthracene malonitrile","Journal of Materials Chemistry C","2016","4","","8245","8252","10.1039/C6TC02517J","","","0.71073","MoKα","","0.0809","0.0519","","","0.1248","0.1413","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235018","10.167","0.011","10.88","0.011","14.496","0.015","73.632","0.013","79.944","0.012","89.367","0.013","1514","3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H34 Br2 -","- C34 H34 Br2 -","- C68 H68 Br4 -","2","1","","Jie Yang; Qingxun Guo; Xiaodong Wen; Xuming Gao; Qian Peng; Qianqian Li; Dongge Ma; Zhen Li","Pyrene-based blue AIEgens: tunable intramolecular conjugation, good hole mobility and reversible mechanochromism","Journal of Materials Chemistry C","2016","4","","8506","8513","10.1039/C6TC02533A","","","0.71073","MoKα","","0.1025","0.0472","","","0.1352","0.1494","","","","","","1.091","","","","has coordinates","297561","2025-02-01","07:07:35",""
"7235019","5.8265","0.0001","7.6208","0.0002","31.9178","0.0009","90","","90","","90","","1417.23","0.06","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","""poly-[(mu4-thiobenzoato-kO:kS:kS:kS)silver(I)]""","","- C7 H5 Ag O S -","- C7 H5 Ag O S -","- C56 H40 Ag8 O8 S8 -","8","1","","Javier Troyano; Oscar Castillo; Pilar Amo-Ochoa; Vanesa Fernandez-Moreira; Carlos J. Gomez-Garcia; Felix Zamora; Salome Delgado","A crystalline and free-standing silver thiocarboxylate thin-film showing high green to yellow luminescence","Journal of Materials Chemistry C","2016","4","","8545","8551","10.1039/C6TC02401G","","","0.71073","MoKα","","0.0523","0.0299","","","0.0559","0.0625","","","","","","1.081","","","","has coordinates","227665","2020-10-21","18:00:00",""
"7235020","5.781","0.005","7.593","0.006","31.74","0.03","90","","90","","90","","1393","2","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","""poly-[(mu4-thiobenzoato-kO:kS:kS:kS)silver(I)]""","","- C7 H5 Ag O S -","- C7 H5 Ag O S -","- C56 H40 Ag8 O8 S8 -","8","1","","Javier Troyano; Oscar Castillo; Pilar Amo-Ochoa; Vanesa Fernandez-Moreira; Carlos J. Gomez-Garcia; Felix Zamora; Salome Delgado","A crystalline and free-standing silver thiocarboxylate thin-film showing high green to yellow luminescence","Journal of Materials Chemistry C","2016","4","","8545","8551","10.1039/C6TC02401G","","","0.71073","MoKα","","0.0384","0.032","","","0.0635","0.0656","","","","","","1.149","","","","has coordinates","227665","2020-10-21","18:00:00",""
"7235021","7.262","0.0005","7.4725","0.0006","23.2818","0.0016","90","","91.999","0.002","90","","1262.62","0.16","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H32 Cl4 Cu N2 -","- C20 H32 Cl4 Cu N2 -","- C40 H64 Cl8 Cu2 N4 -","2","0.5","","Bo Huang; Bao-Ying Wang; Zi-Yi Du; Wei Xue; Wei-Jian Xu; Yu-Jun Su; Wei-Xiong Zhang; Ming-Hua Zeng; Xiao-Ming Chen","Importing spontaneous polarization into a Heisenberg ferromagnet for a potential single-phase multiferroic","Journal of Materials Chemistry C","2016","4","","8704","8710","10.1039/C6TC02715F","","","0.71073","MoKα","","0.0585","0.0496","","","0.1449","0.155","","","","","","1.058","","","","has coordinates,has disorder","227667","2020-10-21","18:00:00",""
"7235022","7.4531","0.0004","7.4531","0.0004","23.317","0.0016","90","","90","","90","","1295.23","0.13","350","2","350","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- C20 H32 Cl4 Cu N2 -","- C20 H32 Cl4 Cu N2 -","- C40 H64 Cl8 Cu2 N4 -","2","0.125","","Bo Huang; Bao-Ying Wang; Zi-Yi Du; Wei Xue; Wei-Jian Xu; Yu-Jun Su; Wei-Xiong Zhang; Ming-Hua Zeng; Xiao-Ming Chen","Importing spontaneous polarization into a Heisenberg ferromagnet for a potential single-phase multiferroic","Journal of Materials Chemistry C","2016","4","","8704","8710","10.1039/C6TC02715F","","","0.71073","MoKα","","0.0808","0.0471","","","0.1083","0.1241","","","","","","1.126","","","","has coordinates,has disorder","227667","2020-10-21","18:00:00",""
"7235023","27.6628","0.0014","7.4916","0.0005","29.4231","0.0018","90","","101.819","0.002","90","","5968.3","0.6","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H32 Cl4 Cu N2 -","- C20 H32 Cl4 Cu N2 -","- C200 H320 Cl40 Cu10 N20 -","10","5","","Bo Huang; Bao-Ying Wang; Zi-Yi Du; Wei Xue; Wei-Jian Xu; Yu-Jun Su; Wei-Xiong Zhang; Ming-Hua Zeng; Xiao-Ming Chen","Importing spontaneous polarization into a Heisenberg ferromagnet for a potential single-phase multiferroic","Journal of Materials Chemistry C","2016","4","","8704","8710","10.1039/C6TC02715F","","","0.71073","MoKα","","0.0862","0.0632","","","0.1546","0.1746","","","","","","0.985","","","","has coordinates,has disorder","227667","2020-10-21","18:00:00",""
"7235024","7.6772","0.0006","15.0035","0.0013","47.276","0.003","90","","95.078","0.001","90","","5424.1","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 O -","- C39 H28 O -","- C312 H224 O8 -","8","2","","Xianchao Du; Fan Xu; Mao-Sen Yuan; Pengchong Xue; Lei Zhao; Dong-En Wang; Wenji Wang; Qin Tu; Shu-Wei Chen; Jinyi Wang","Reversible luminescence color switching in the crystal polymorphs of 2,7-bis(2'-methyl-[1,1'-biphenyl]-4-yl)-fluorenone by thermal and mechanical stimuli","Journal of Materials Chemistry C","2016","4","","8724","8730","10.1039/C6TC02804G","","","0.71073","MoKα","","0.2603","0.1421","","","0.2996","0.3524","","","","","","1.071","","","","has coordinates,has disorder","301866","2025-08-22","21:38:29",""
"7235025","27.852","0.003","5.163","0.0004","20.8582","0.0018","90","","115.191","0.003","90","","2714.1","0.4","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C39 H28 O -","- C39 H28 O -","- C156 H112 O4 -","4","1","","Xianchao Du; Fan Xu; Mao-Sen Yuan; Pengchong Xue; Lei Zhao; Dong-En Wang; Wenji Wang; Qin Tu; Shu-Wei Chen; Jinyi Wang","Reversible luminescence color switching in the crystal polymorphs of 2,7-bis(2'-methyl-[1,1'-biphenyl]-4-yl)-fluorenone by thermal and mechanical stimuli","Journal of Materials Chemistry C","2016","4","","8724","8730","10.1039/C6TC02804G","","","0.71073","MoKα","","0.1232","0.0631","","","0.1088","0.1225","","","","","","1.042","","","","has coordinates,has disorder","301866","2025-08-22","21:38:29",""
"7235026","6.7436","0.0015","6.7436","0.0015","5.6182","0.0013","90","","90","","120","","221.26","0.09","173","2","173","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Cl3 Cu3 H6 O6 Y -","- Cl3 Cu3 H6 O6 Y -","- Cl3 Cu3 H6 O6 Y -","1","0.0833333","","Wei Sun; Ya-Xi Huang; Sergiy Nokhrin; Yuanming Pan; Jin-Xiao Mi","Perfect Kagome lattices in YCu3(OH)6Cl3: a new candidate for the quantum spin liquid state","Journal of Materials Chemistry C","2016","4","","8772","8777","10.1039/C6TC02399A","","","0.71073","MoKα","","0.0137","0.0137","","","0.042","0.042","","","","","","1.062","","","","has coordinates","227669","2020-10-21","18:00:00",""
"7235027","6.749","0.0009","6.749","0.0009","5.6244","0.0011","90","","90","","120","","221.86","0.06","295","2","295","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Cl3 Cu3 H6 O6 Y -","- Cl3 Cu3 H6 O6 Y0.999 -","- Cl3 Cu3 H6 O6 Y0.999 -","1","0.0833333","","Wei Sun; Ya-Xi Huang; Sergiy Nokhrin; Yuanming Pan; Jin-Xiao Mi","Perfect Kagome lattices in YCu3(OH)6Cl3: a new candidate for the quantum spin liquid state","Journal of Materials Chemistry C","2016","4","","8772","8777","10.1039/C6TC02399A","","","0.71073","MoKα","","0.028","0.0265","","","0.0683","0.0691","","","","","","1.079","","","","has coordinates","227669","2020-10-21","18:00:00",""
"7235028","10.1994","0.0003","10.2834","0.0004","23.9507","0.0008","84.458","0.003","79.792","0.003","72.903","0.003","2360.4","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H45 Cl2 N3 O2 S -","- C56 H42 Cl2 N3 O2 S -","- C112 H84 Cl4 N6 O4 S2 -","2","1","","Guang Li; Juewen Zhao; Dan Zhang; Zhichun Shi; Zelin Zhu; Huanquan Song; Jieji Zhu; Silu Tao; Feng Lu; Qingxiao Tong","Mechanochromic asymmetric sulfone derivatives for use in efficient blue organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","8787","8794","10.1039/C6TC02917E","","","0.71073","MoKα","","0.123","0.0995","","","0.2945","0.3217","","","","","","1.046","","","","has coordinates,has disorder","227670","2020-10-21","18:00:00",""
"7235029","10.0674","0.0005","10.1635","0.0008","28.2487","0.0008","89.93","0.004","80.73","0.003","74.382","0.006","2744.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H46 N3 O2 S -","- C61 H46 N3 O2 S -","- C122 H92 N6 O4 S2 -","2","1","","Guang Li; Juewen Zhao; Dan Zhang; Zhichun Shi; Zelin Zhu; Huanquan Song; Jieji Zhu; Silu Tao; Feng Lu; Qingxiao Tong","Mechanochromic asymmetric sulfone derivatives for use in efficient blue organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","8787","8794","10.1039/C6TC02917E","","","0.71073","MoKα","","0.1226","0.0897","","","0.269","0.3037","","","","","","0.982","","","","has coordinates,has disorder","227670","2020-10-21","18:00:00",""
"7235030","21.7114","0.0004","4.9659","0.0001","26.7513","0.0005","90","","90.2752","0.0009","90","","2884.2","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O4 S -","- C32 H38 N2 O4 S -","- C128 H152 N8 O16 S4 -","4","1","","Wangqiao Chen; Masahiro Nakano; Ji-Hoon Kim; Kazuo Takimiya; Qichun Zhang","Naphtho[2,3-b]thiophene diimide (NTI): a mono-functionalisable core-extended naphthalene diimide for electron-deficient architectures","Journal of Materials Chemistry C","2016","4","","8879","8883","10.1039/C6TC03476D","","","1.54187","CuKα","","0.0733","0.0618","","","0.191","0.2025","","","","","","1.464","","","","has coordinates,has disorder","301866","2025-08-22","21:38:29",""
"7235031","7.5568","0.0005","32.8316","0.0017","10.9474","0.0007","90","","109.928","0.003","90","","2553.4","0.3","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-bis(4,2':6'4''-terpyridin-4'-yl)benzene","","- C36 H24 N6 -","- C36 H24 N6 -","- C144 H96 N24 -","4","1","","Yuichiro Watanabe; Ryo Yoshioka; Hisahiro Sasabe; Takahiro Kamata; Hiroshi Katagiri; Daisuke Yokoyama; Junji Kido","Fundamental functions of peripheral and core pyridine rings in a series of bis-terpyridine derivatives for high-performance organic light-emitting devices","Journal of Materials Chemistry C","2016","4","","8980","8988","10.1039/C6TC02631A","","","0.71075","MoKα","","0.0488","0.0449","","","0.1237","0.1279","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235032","9.6557","0.0019","16.827","0.003","7.3429","0.0015","90","","90","","90","","1193","0.4","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C6 H12 Cd Cl2 N2 O4 S -","- C6 H12 Cd Cl2 N2 O4 S -","- C24 H48 Cd4 Cl8 N8 O16 S4 -","4","0.25","","Cheng Chen; Wan-Ying Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu","Rapid dielectric bistable switching materials without a time/temperature responsive blind area in the linarite-like type molecular large-size single crystals","Journal of Materials Chemistry C","2016","4","","9009","9020","10.1039/C6TC02166B","","","0.71073","MoKα","","0.0394","0.0376","","","0.2152","0.2222","","","","","","1.076","","","","has coordinates","227700","2020-10-21","18:00:00",""
"7235033","16.939","0.011","7.303","0.005","9.723","0.007","90","","90","","90","","1202.8","1.4","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H12 Cd Cl2 N2 O4 S -","- C6 H12 Cd Cl2 N2 O4 S -","- C24 H48 Cd4 Cl8 N8 O16 S4 -","4","0.5","","Cheng Chen; Wan-Ying Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu","Rapid dielectric bistable switching materials without a time/temperature responsive blind area in the linarite-like type molecular large-size single crystals","Journal of Materials Chemistry C","2016","4","","9009","9020","10.1039/C6TC02166B","","","0.71073","MoKα","","0.0475","0.0454","","","0.1492","0.1551","","","","","","1.064","","","","has coordinates","227700","2020-10-21","18:00:00",""
"7235034","9.773","0.005","17.299","0.01","7.551","0.004","90","","90","","90","","1276.6","1.2","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C6 H12 Br2 Cd N2 O3 S -","- C6 H12 Br2 Cd N2 O3 S -","- C24 H48 Br8 Cd4 N8 O12 S4 -","4","0.25","","Cheng Chen; Wan-Ying Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu","Rapid dielectric bistable switching materials without a time/temperature responsive blind area in the linarite-like type molecular large-size single crystals","Journal of Materials Chemistry C","2016","4","","9009","9020","10.1039/C6TC02166B","","","0.71073","MoKα","","0.0679","0.0549","","","0.1687","0.1964","","","","","","1.241","","","","has coordinates","227700","2020-10-21","18:00:00",""
"7235035","9.752","0.007","17.244","0.012","7.521","0.005","90","","90","","90","","1264.8","1.5","223","2","223","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C6 H12 Br2 Cd N2 O4 S -","- C6 H12 Br2 Cd N2 O4 S -","- C24 H48 Br8 Cd4 N8 O16 S4 -","4","0.25","","Cheng Chen; Wan-Ying Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu","Rapid dielectric bistable switching materials without a time/temperature responsive blind area in the linarite-like type molecular large-size single crystals","Journal of Materials Chemistry C","2016","4","","9009","9020","10.1039/C6TC02166B","","","0.71073","MoKα","","0.0903","0.0838","","","0.2475","0.2546","","","","","","1.973","","","","has coordinates","227700","2020-10-21","18:00:00",""
"7235036","9.67202","0.000084","9.67202","0.000084","7.25393","0.000071","90","","90","","120","","587.677","0.009","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","","","- Ca O12 P2 Si Sr4 -","- Ca0.022 O4.21467 P0.881 Si0.119 Sr1.64467 -","- Ca0.132 O25.288 P5.286 Si0.714 Sr9.868 -","6","0.5","","Manli Zhang; Zhiguo Xia; Maxim S. Molokeev; Lin Shi; Quanlin Liu","New insight into the crystal structure of Sr4Ca(PO4)2SiO4 and the photoluminescence tuning of Sr4Ca(PO4)2SiO4:Ce3+,Na+,Eu2+ phosphors","Journal of Materials Chemistry C","2016","4","","9078","9084","10.1039/C6TC03373C","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.93","2.19","","","","","","","has coordinates","227701","2020-10-21","18:00:00",""
"7235037","6.9099","0.0003","6.9099","0.0003","11.9332","0.0011","90","","90","","120","","493.44","0.05","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- Cs H12 Mg O10 P -","- Cs H12 Mg O10 P -","- Cs2 H24 Mg2 O20 P2 -","2","0.166667","","Yuqiao Zhou; Liling Cao; Chensheng Lin; Min Luo; Tao Yan; Ning Ye; Wendan Cheng","AMgPO4.6H2O (A = Rb, Cs): strong SHG responses originated from orderly PO4 groups","Journal of Materials Chemistry C","2016","4","","9219","9226","10.1039/C6TC03295H","","","0.71073","MoKα","","0.0163","0.0154","","","0.0316","0.0319","","","","","","1.01","","","","has coordinates","227702","2020-10-21","18:00:00",""
"7235038","6.896","0.006","6.191","0.005","11.341","0.009","90","","90","","90","","484.2","0.7","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- H12 Mg O10 P Rb -","- H12 Mg O10 P Rb -","- H24 Mg2 O20 P2 Rb2 -","2","0.5","","Yuqiao Zhou; Liling Cao; Chensheng Lin; Min Luo; Tao Yan; Ning Ye; Wendan Cheng","AMgPO4.6H2O (A = Rb, Cs): strong SHG responses originated from orderly PO4 groups","Journal of Materials Chemistry C","2016","4","","9219","9226","10.1039/C6TC03295H","","","0.71073","MoKα","","0.071","0.0501","","","0.0897","0.0937","","","","","","1.29","","","","has coordinates","227702","2020-10-21","18:00:00",""
"7235039","5.7908","0.0006","11.3325","0.0013","17.388","0.0019","90","","90","","90","","1141.1","0.2","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H4 Br2 O2 S2 -","- C10 H4 Br2 O2 S2 -","- C40 H16 Br8 O8 S8 -","4","1","","Weifeng Zhang; Zupan Mao; Naihang Zheng; Jiabin Zou; Liping Wang; Congyuan Wei; Jianyao Huang; Dong Gao; Gui Yu","Highly planar cross-conjugated alternating polymers with multiple conformational locks: synthesis, characterization and their field-effect properties","Journal of Materials Chemistry C","2016","4","","9266","9275","10.1039/C6TC02891H","","","0.71073","MoKα","","0.0297","0.0277","","","0.0571","0.0582","","","","","","1.069","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235040","14.0019","0.001","14.0989","0.0011","20.1686","0.0013","78.253","0.003","78.004","0.002","82.267","0.003","3795.3","0.5","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C52.75 H37.5 Cl1.5 -","- C52.75 H37.5 Cl1.5 -","- C211 H150 Cl6 -","4","2","","Yingying Zhang; Bairong He; Wenwen Luo; Huiren Peng; Shuming Chen; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Aggregation-enhanced emission and through-space conjugation of tetraarylethanes and folded tetraarylethenes","Journal of Materials Chemistry C","2016","4","","9316","9324","10.1039/C6TC03767D","","","0.71073","MoKα","","0.1795","0.082","","","0.1845","0.2426","","","","","","1.073","","","","has coordinates,has disorder","227707","2020-10-21","18:00:00",""
"7235041","7.7741","0.0004","11.8714","0.0008","21.2066","0.0013","84.073","0.005","82.043","0.005","86.516","0.005","1925.8","0.2","293","2","293.15","","","","","","","","","2","P -1","-P 1","2","","","","- C58 H38 -","- C58 H38 -","- C116 H76 -","2","1","","Yingying Zhang; Bairong He; Wenwen Luo; Huiren Peng; Shuming Chen; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Aggregation-enhanced emission and through-space conjugation of tetraarylethanes and folded tetraarylethenes","Journal of Materials Chemistry C","2016","4","","9316","9324","10.1039/C6TC03767D","","","0.71073","MoKα","","0.0738","0.0459","","","0.1031","0.1212","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235042","9.8761","0.0007","18.5457","0.0014","19.1881","0.0015","95.226","0.002","93.21","0.002","94.902","0.002","3479.9","0.5","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C50 H36 -","- C50 H36 -","- C200 H144 -","4","2","","Yingying Zhang; Bairong He; Wenwen Luo; Huiren Peng; Shuming Chen; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Aggregation-enhanced emission and through-space conjugation of tetraarylethanes and folded tetraarylethenes","Journal of Materials Chemistry C","2016","4","","9316","9324","10.1039/C6TC03767D","","","0.71073","MoKα","","0.1379","0.0562","","","0.098","0.1333","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235043","12.797","0.004","13.085","0.005","27.664","0.009","90","","92.323","0.012","90","","4628","3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62.5 H49 Cl N2 -","- C62.5 H49 Cl N2 -","- C250 H196 Cl4 N8 -","4","1","","Yingying Zhang; Bairong He; Wenwen Luo; Huiren Peng; Shuming Chen; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Aggregation-enhanced emission and through-space conjugation of tetraarylethanes and folded tetraarylethenes","Journal of Materials Chemistry C","2016","4","","9316","9324","10.1039/C6TC03767D","","","0.71073","MoKα","","0.1364","0.0582","","","0.1139","0.1414","","","","","","1.047","","","","has coordinates","227707","2020-10-21","18:00:00",""
"7235044","12.5537","0.0008","6.3103","0.0004","23.6534","0.0017","90","","99.738","0.006","90","","1846.8","0.2","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2'-[2-(benzo[d]thiazol-2-yl)vinyl]-N, N-dimethyl-(1,1'-biphenyl)-4-amine","","- C23 H20 N2 S -","- C23 H20 N2 S -","- C92 H80 N8 S4 -","4","1","","Xiao-Lin Lu; Min Xia","Multi-stimuli response of a novel half-cut cruciform and its application as a security ink","Journal of Materials Chemistry C","2016","4","","9350","9358","10.1039/C6TC02618D","","","0.71073","MoKα","","0.064","0.0437","","","0.1003","0.1125","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235045","12.365","0.0004","14.4741","0.0004","15.2565","0.0004","64.148","0.001","71.704","0.001","89.432","0.001","2307.11","0.12","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","CC-MP7","","- C57 H51 B N2 S2 -","- C57 H51 B N2 S2 -","- C114 H102 B2 N4 S4 -","2","1","","Yu-Jen Cheng; Siao-Yin Yu; Song-Cheng Lin; Jiann T. Lin; Li-Yin Chen; Dai-Sin Hsiu; Yuh Sheng Wen; Mandy M. Lee; Shih-Sheng Sun","A phenothiazine/dimesitylborane hybrid material as a bipolar transport host of red phosphor","Journal of Materials Chemistry C","2016","4","","9499","9508","10.1039/C6TC03335K","","","0.71073","MoKα","","0.0551","0.0412","","","0.1033","0.1179","","","","","","1.076","","","","has coordinates","227709","2020-10-21","18:00:00",""
"7235046","12.7131","0.0004","31.5821","0.0011","13.1493","0.0004","90","","96.177","0.002","90","","5248.9","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","CC-MP8","","- C63 H65 B2 N S -","- C63 H65 B2 N S -","- C252 H260 B8 N4 S4 -","4","1","","Yu-Jen Cheng; Siao-Yin Yu; Song-Cheng Lin; Jiann T. Lin; Li-Yin Chen; Dai-Sin Hsiu; Yuh Sheng Wen; Mandy M. Lee; Shih-Sheng Sun","A phenothiazine/dimesitylborane hybrid material as a bipolar transport host of red phosphor","Journal of Materials Chemistry C","2016","4","","9499","9508","10.1039/C6TC03335K","","","0.71073","MoKα","","0.0763","0.0532","","","0.1233","0.1394","","","","","","1.04","","","","has coordinates,has disorder","227709","2020-10-21","18:00:00",""
"7235047","8.4398","0.0003","13.9346","0.0004","41.3013","0.0013","90","","95.627","0.002","90","","4833.8","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","CC-MP4","","- C117 H109 B2 N4 S4 -","- C117 H109 B2 N4.0026 S4 -","- C234 H218 B4 N8.0052 S8 -","2","0.5","","Yu-Jen Cheng; Siao-Yin Yu; Song-Cheng Lin; Jiann T. Lin; Li-Yin Chen; Dai-Sin Hsiu; Yuh Sheng Wen; Mandy M. Lee; Shih-Sheng Sun","A phenothiazine/dimesitylborane hybrid material as a bipolar transport host of red phosphor","Journal of Materials Chemistry C","2016","4","","9499","9508","10.1039/C6TC03335K","","","0.71073","MoKα","","0.0942","0.0785","","","0.2022","0.2167","","","","","","1.056","","","","has coordinates,has disorder","227709","2020-10-21","18:00:00",""
"7235050","4.7412","0.0003","7.7243","0.0006","16.8734","0.0014","95.985","0.007","90.633","0.006","92.942","0.006","613.68","0.08","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Br2 N4 O2 -","- C26 H26 Br2 N4 O2 -","- C26 H26 Br2 N4 O2 -","1","0.5","","Wan Yue; Mark Nikolka; Mingfei Xiao; Aditya Sadhanala; Christian B. Nielsen; Andrew J. P. White; Hung-Yang Chen; Ada Onwubiko; Henning Sirringhaus; Iain McCulloch","Azaisoindigo conjugated polymers for high performance n-type and ambipolar thin film transistor applications","Journal of Materials Chemistry C","2016","4","","9704","9710","10.1039/C6TC03000A","","","1.54184","CuKα","","0.0516","0.0417","","","0.096","0.1021","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235051","12.9459","0.0008","17.2178","0.001","14.0795","0.0008","90","","110.666","0.002","90","","2936.4","0.3","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 Cl F6 N5 P Ru -","- C31 H23 Cl F6 N5 P Ru -","- C124 H92 Cl4 F24 N20 P4 Ru4 -","4","1","","Felix Brunner; Nathalie Marinakis; Cedric Wobill; Markus Willgert; Cathrin D. Ertl; Tatjana Kosmalski; Markus Neuburger; Biljana Bozic-Weber; Thilo Glatzel; Edwin C. Constable; Catherine E. Housecroft","Modular synthesis of simple cycloruthenated complexes with state-of-the-art performance in p-type DSCs","Journal of Materials Chemistry C","2016","4","","9823","9833","10.1039/C6TC03874C","","","1.54178","CuKα","","0.0311","0.0257","","0.036","0.0266","0.0251","","","","","","1.1321","","","","has coordinates","227765","2020-10-21","18:00:00",""
"7235052","28.0947","0.0013","28.0947","0.0013","3.71428","0.00016","90","","90","","120","","2538.9","0.2","298","","298","","","","","","","","see text","4","R 3 :H","R 3","146","","","eu_antr3","- C45 H27 Eu O6 -","- C45 H27 Eu O6 -","- C135 H81 Eu3 O18 -","3","0.333333","","Valentina V. Utochnikova; Alena S. Kalyakina; Ivan S. Bushmarinov; Andrey A. Vashchenko; Lukasz Marciniak; Anna M. Kaczmarek; Rik Van Deun; Stefan Brase; Natalia P. Kuzmina","Lanthanide 9-anthracenate: solution processable emitters for efficient purely NIR emitting host-free OLEDs","Journal of Materials Chemistry C","2016","4","","9848","9855","10.1039/C6TC03586H","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.006","2.448","","","","","","","has coordinates","227766","2020-10-21","18:00:00",""
"7235053","21.337","0.003","21.337","0.003","8.7908","0.0011","90","","90","","120","","3466","0.8","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C51 H45.64 O9.48 S3 Yb -","- C51 H45.64 O9.48 S3 Yb -","- C153 H136.92 O28.44 S9 Yb3 -","3","0.333333","","Valentina V. Utochnikova; Alena S. Kalyakina; Ivan S. Bushmarinov; Andrey A. Vashchenko; Lukasz Marciniak; Anna M. Kaczmarek; Rik Van Deun; Stefan Brase; Natalia P. Kuzmina","Lanthanide 9-anthracenate: solution processable emitters for efficient purely NIR emitting host-free OLEDs","Journal of Materials Chemistry C","2016","4","","9848","9855","10.1039/C6TC03586H","","x-ray","1.54178","CuKα","","0.0177","0.0177","","","0.0426","0.0427","","","","","","1.062","","","","has coordinates,has disorder","227766","2020-10-21","18:00:00",""
"7235054","26.426","0.007","6.8665","0.0017","13.432","0.004","90","","93.45","0.005","90","","2432.9","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 F N2 -","- C33 H23 F N2 -","- C132 H92 F4 N8 -","4","1","","Yujian Zhang; Moge Qile; Jingwei Sun; Minhong Xu; Kai Wang; Feng Cao; Weijun Li; Qingbao Song; Bo Zou; Cheng Zhang","Ratiometric pressure sensors based on cyano-substituted oligo(p-phenylene vinylene) derivatives in the hybridized local and charge-transfer excited state","Journal of Materials Chemistry C","2016","4","","9954","9960","10.1039/C6TC03157A","","","0.71073","MoKα","","0.0785","0.0451","","","0.1091","0.123","","","","","","1.004","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235055","9.6528","0.001","16.9821","0.0017","13.8598","0.0013","90","","91.648","0.004","90","","2271","0.4","296","2","296","2","","","","","","","chemical","4","P 1 21/n 1","-P 2yn","14","9-(triphenylsilyl)-9H-carbazole","CzSi","","- C30 H23 N Si -","- C30 H23 N Si -","- C120 H92 N4 Si4 -","4","1","","Huanhuan Li; Lijia Xu; Yuting Tang; Ye Tao; Shen Xu; Chao Zheng; Guichuan Xing; Xinhui Zhou; Wei Huang; Runfeng Chen","Direct silicon-nitrogen bonded host materials with enhanced sigma-pi conjugation for blue phosphorescent organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","10047","10052","10.1039/C6TC03877H","","","0.71073","MoKα","","0.0605","0.046","","","0.1233","0.1352","","","","","","1.073","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235056","14.382","0.004","9.215","0.002","21.897","0.005","90","","111.629","0.014","90","","2697.7","1.2","293","2","293","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","di(9H-carbazol-9-yl)diphenylsilane","DCzSi","","- C36 H26 N2 Si -","- C36 H26 N2 Si -","- C144 H104 N8 Si4 -","4","1","","Huanhuan Li; Lijia Xu; Yuting Tang; Ye Tao; Shen Xu; Chao Zheng; Guichuan Xing; Xinhui Zhou; Wei Huang; Runfeng Chen","Direct silicon-nitrogen bonded host materials with enhanced sigma-pi conjugation for blue phosphorescent organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","10047","10052","10.1039/C6TC03877H","","","0.71073","MoKα","","0.0645","0.0569","","","0.1425","0.1529","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235057","11.684","0.003","11.696","0.003","12.506","0.003","107.411","0.003","96.921","0.003","101.986","0.003","1564.3","0.7","296","2","296","2","","","","","","","synthesis","4","P -1","-P 1","2","3,6-di-tert-butyl-9-(triphenylsilyl)-9H-carbazole","BuCzSi","","- C38 H39 N Si -","- C38 H39 N Si -","- C76 H78 N2 Si2 -","2","1","","Huanhuan Li; Lijia Xu; Yuting Tang; Ye Tao; Shen Xu; Chao Zheng; Guichuan Xing; Xinhui Zhou; Wei Huang; Runfeng Chen","Direct silicon-nitrogen bonded host materials with enhanced sigma-pi conjugation for blue phosphorescent organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","10047","10052","10.1039/C6TC03877H","","","0.71073","MoKα","","0.0587","0.044","","","0.1261","0.1573","","","","","","1.125","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235058","16.008","0.003","18.367","0.004","15.659","0.003","90","","102.9","0.003","90","","4487.8","1.6","296","2","296","2","","","","","","","synthesis","4","C 1 2/c 1","-C 2yc","15","bis(3,6-di-tert-butyl-9H-carbazol-9-yl)diphenylsilane","DBuCzSi","","- C52 H58 N2 Si -","- C52 H58 N2 Si -","- C208 H232 N8 Si4 -","4","0.5","","Huanhuan Li; Lijia Xu; Yuting Tang; Ye Tao; Shen Xu; Chao Zheng; Guichuan Xing; Xinhui Zhou; Wei Huang; Runfeng Chen","Direct silicon-nitrogen bonded host materials with enhanced sigma-pi conjugation for blue phosphorescent organic light-emitting diodes","Journal of Materials Chemistry C","2016","4","","10047","10052","10.1039/C6TC03877H","","","0.71073","MoKα","","0.0899","0.0731","","","0.2113","0.231","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235059","12.39","0.003","5.9175","0.0012","23.356","0.005","90","","95.62","0.03","90","","1704.2","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C47 H32 N2 -","- C47 H32 N2 -","- C94 H64 N4 -","2","1","","Chenglong Li; Jinbei Wei; Jianxiong Han; Zhiqiang Li; Xiaoxian Song; Zuolun Zhang; Jingying Zhang; Yue Wang","Efficient deep-blue OLEDs based on phenanthro[9,10-d]imidazole-containing emitters with AIE and bipolar transporting properties","Journal of Materials Chemistry C","2016","4","","10120","10129","10.1039/C6TC03923E","","","0.71073","MoKα","","0.1367","0.0699","","","0.1546","0.1839","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235060","9.907","0.002","14.375","0.003","16.621","0.003","97.46","0.03","91.84","0.03","105.68","0.03","2254.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","DPAC-DBTDO","","- C62 H42 N2 O2 S -","- C62 H42 N2 O2 S -","- C124 H84 N4 O4 S2 -","2","1","","Xin He; Tong Shan; Xiangyang Tang; Yu Gao; Jinyu Li; Bing Yang; Ping Lu","Highly efficient organic light emitting diodes based on a D-A-D type dibenzothiophene derivative exhibiting thermally activated delayed fluorescence with small deltaEST","Journal of Materials Chemistry C","2016","4","","10205","10208","10.1039/C6TC03382B","","","0.71073","MoKα","","0.0714","0.0485","","","0.1427","0.1627","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235061","8.3049","0.0011","16.413","0.002","29.185","0.003","90","","92.477","0.009","90","","3974.4","0.8","105.5","","105.54","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H37 N6 O10.25 S2 -","- C44 H37 N6 O10.25 S2 -","- C176 H148 N24 O41 S8 -","4","1","","Morteza Adinehnia; Bryan Borders; Michael Ruf; Bhaskar Chilukuri; K. W. Hipps; Ursula Mazur","Comprehensive structure-function correlation of photoactive ionic pi-conjugated supermolecular assemblies: an experimental and computational study","Journal of Materials Chemistry C","2016","4","","10223","10239","10.1039/C6TC03957J","","","1.54178","CuKα","","0.1059","0.0625","","","0.1588","0.1822","","","","","","1.0312","","","","has coordinates","227771","2020-10-21","18:00:00",""
"7235062","32.451","0.007","10.272","0.002","15.874","0.003","90","","92.58","0.03","90","","5286","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ir(dfpypy)2(fptz)","","- C28 H14 F7 Ir N8 -","- C28 H14 F7 Ir N8 -","- C224 H112 F56 Ir8 N64 -","8","1","","Yansong Feng; Xuming Zhuang; Dongxia Zhu; Yu Liu; Yue Wang; Martin R. Bryce","Rational design and characterization of heteroleptic phosphorescent iridium(iii) complexes for highly efficient deep-blue OLEDs","Journal of Materials Chemistry C","2016","4","","10246","10252","10.1039/C6TC04119A","","","0.71073","MoKα","","0.0381","0.0256","","","0.0566","0.0689","","","","","","1.068","","","","has coordinates,has disorder","227772","2020-10-21","18:00:00",""
"7235063","10.423","0.002","16.123","0.003","17.439","0.004","90","","96.28","0.03","90","","2913","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ir(Medfpypy)2(fptz).fcf","","- C30 H18 F7 Ir N8 -","- C30 H18 F7 Ir N8 -","- C120 H72 F28 Ir4 N32 -","4","1","","Yansong Feng; Xuming Zhuang; Dongxia Zhu; Yu Liu; Yue Wang; Martin R. Bryce","Rational design and characterization of heteroleptic phosphorescent iridium(iii) complexes for highly efficient deep-blue OLEDs","Journal of Materials Chemistry C","2016","4","","10246","10252","10.1039/C6TC04119A","","","0.71073","MoKα","","0.0557","0.0358","","","0.0662","0.0715","","","","","","1.067","","","","has coordinates,has disorder","227772","2020-10-21","18:00:00",""
"7235064","21.848","0.002","15.4782","0.0016","19.843","0.002","90","","106.46","0.002","90","","6435.3","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H58 Au2 Cl2 N2 O8 P4 -","- C73 H58 Au2 Cl2 N2 O8 P4 -","- C292 H232 Au8 Cl8 N8 O32 P16 -","4","1","","Csaba Jobbagy; Peter Baranyai; Gabor Marsi; Barbara Racz; Liang Li; Pance Naumov; Andrea Deak","Novel gold(i) diphosphine-based dimers with aurophilicity triggered multistimuli light-emitting properties","Journal of Materials Chemistry C","2016","4","","10253","10264","10.1039/C6TC01427E","","","0.71073","MoKα","","0.0393","0.024","","","0.0417","0.0455","","","","","","0.999","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235065","22.275","0.003","16.505","0.002","19.91","0.003","90","","105.095","0.002","90","","7067.3","1.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C75 H58 Au2 Cl2 F6 O8 P4 S2 -","- C75 H58 Au2 Cl2 F6 O8 P4 S2 -","- C300 H232 Au8 Cl8 F24 O32 P16 S8 -","4","1","","Csaba Jobbagy; Peter Baranyai; Gabor Marsi; Barbara Racz; Liang Li; Pance Naumov; Andrea Deak","Novel gold(i) diphosphine-based dimers with aurophilicity triggered multistimuli light-emitting properties","Journal of Materials Chemistry C","2016","4","","10253","10264","10.1039/C6TC01427E","","","0.71073","MoKα","","0.0513","0.0336","","","0.0752","0.0846","","","","","","1.011","","","","has coordinates,has disorder","227774","2020-10-21","18:00:00",""
"7235066","21.8263","0.0018","16.0732","0.0013","19.7116","0.0016","90","","106.692","0.003","90","","6623.8","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73 H58 Au2 B2 Cl2 F8 O2 P4 -","- C73 H58 Au2 B2 Cl2 F8 O2 P4 -","- C292 H232 Au8 B8 Cl8 F32 O8 P16 -","4","1","","Csaba Jobbagy; Peter Baranyai; Gabor Marsi; Barbara Racz; Liang Li; Pance Naumov; Andrea Deak","Novel gold(i) diphosphine-based dimers with aurophilicity triggered multistimuli light-emitting properties","Journal of Materials Chemistry C","2016","4","","10253","10264","10.1039/C6TC01427E","","","0.71073","MoKα","","0.0596","0.0363","","","0.0716","0.0791","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235067","22.2139","0.0017","16.1798","0.0012","19.9656","0.0015","90","","105.74","0.001","90","","6906.9","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H58 Au2 Cl2 F12 O2 P6 -","- C73 H58 Au2 Cl2 F12 O2 P6 -","- C292 H232 Au8 Cl8 F48 O8 P24 -","4","1","","Csaba Jobbagy; Peter Baranyai; Gabor Marsi; Barbara Racz; Liang Li; Pance Naumov; Andrea Deak","Novel gold(i) diphosphine-based dimers with aurophilicity triggered multistimuli light-emitting properties","Journal of Materials Chemistry C","2016","4","","10253","10264","10.1039/C6TC01427E","","","0.71073","MoKα","","0.0506","0.0314","","","0.0613","0.0685","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235068","12.5913","0.0004","13.4958","0.0004","23.9939","0.0009","91.744","0.001","101.643","0.001","112.048","0.001","3675.9","0.2","98","2","98","2","","","","","","","","7","P -1","-P 1","2","","","","- C75.56 H65.11 Au2 Cl7.11 N2 O9 P4 -","- C75.557 H65.114 Au2 Cl7.114 N2 O9 P4 -","- C151.114 H130.228 Au4 Cl14.228 N4 O18 P8 -","2","1","","Csaba Jobbagy; Peter Baranyai; Gabor Marsi; Barbara Racz; Liang Li; Pance Naumov; Andrea Deak","Novel gold(i) diphosphine-based dimers with aurophilicity triggered multistimuli light-emitting properties","Journal of Materials Chemistry C","2016","4","","10253","10264","10.1039/C6TC01427E","","","0.71075","MoKα","","0.0644","0.0514","","","0.1185","0.1217","","","","","","1.176","","","","has coordinates","227777","2020-10-21","18:00:00",""
"7235069","22.6394","0.0016","16.3498","0.0011","20.1213","0.0014","90","","105.23","0.001","90","","7186.3","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73 H58 Au2 Cl2 F12 O2 P4 Sb2 -","- C73 H58 Au2 Cl2 F12 O2 P4 Sb2 -","- C292 H232 Au8 Cl8 F48 O8 P16 Sb8 -","4","1","","Csaba Jobbagy; Peter Baranyai; Gabor Marsi; Barbara Racz; Liang Li; Pance Naumov; Andrea Deak","Novel gold(i) diphosphine-based dimers with aurophilicity triggered multistimuli light-emitting properties","Journal of Materials Chemistry C","2016","4","","10253","10264","10.1039/C6TC01427E","","","0.71073","MoKα","","0.0421","0.0302","","","0.0699","0.0767","","","","","","1.026","","","","has coordinates,has disorder","227778","2020-10-21","18:00:00",""
"7235113","5.917849","0.000038","5.917849","0.000038","20.75995","0.00038","90","","90","","120","","629.629","0.013","","","4","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","vesignieite","- Ba Cu3 D2 O10 V2 -","- Ba Cu3 D2 H0 O10 V2 -","- Ba3 Cu9 D6 H0 O30 V6 -","3","0.5","","David Boldrin; Kevin Knight; Andrew S. Wills","Orbital frustration in the S = 1/2 kagome magnet vesignieite, BaCu3V2O8(OH)2","Journal of Materials Chemistry C","2016","4","","10315","10322","10.1039/C6TC02935C","","neutron","","","","","","","","","","","","","","","","","","","has coordinates","227869","2020-10-21","18:00:00",""
"7235114","12.067","0.003","7.0775","0.0017","15.484","0.004","90","","110.374","0.003","90","","1239.7","0.5","153.15","","153.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ht-dma","","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","","Ting Han; Xinggui Gu; Jacky W. Y. Lam; Anakin C. S. Leung; Ryan T. K. Kwok; Tianyu Han; Bin Tong; Jianbing Shi; Yuping Dong; Ben Zhong Tang","Diaminomaleonitrile-based Schiff bases: aggregation-enhanced emission, red fluorescence, mechanochromism and bioimaging applications","Journal of Materials Chemistry C","2016","4","","10430","10434","10.1039/C6TC03883B","","x-ray","0.71073","MoKα","","0.0487","0.0403","","","0.1047","0.1107","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235115","13.594","0.003","13.655","0.003","20.363","0.004","90","","98.363","0.002","90","","3739.7","1.4","153.15","","153.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N5 -","- C19 H25 N5 -","- C152 H200 N40 -","8","2","","Ting Han; Xinggui Gu; Jacky W. Y. Lam; Anakin C. S. Leung; Ryan T. K. Kwok; Tianyu Han; Bin Tong; Jianbing Shi; Yuping Dong; Ben Zhong Tang","Diaminomaleonitrile-based Schiff bases: aggregation-enhanced emission, red fluorescence, mechanochromism and bioimaging applications","Journal of Materials Chemistry C","2016","4","","10430","10434","10.1039/C6TC03883B","","","0.71073","MoKα","","0.0643","0.0545","","","0.144","0.1516","","","","","","1.001","","","","has coordinates,has disorder","301866","2025-08-22","21:38:29",""
"7235116","9.4059","0.0004","11.4024","0.0005","15.4542","0.0005","94.338","0.003","105.333","0.003","92.789","0.003","1589.82","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 F6 N P -","- C38 H30 F6 N P -","- C76 H60 F12 N2 P2 -","2","1","","Rui Xue Zhang; Peng Fei Li; Wen Juan Zhang; Nan Li; Na Zhao","A highly sensitive fluorescent sensor with aggregation-induced emission characteristics for the detection of iodide and mercury ions in aqueous solution","Journal of Materials Chemistry C","2016","4","","10479","10485","10.1039/C6TC03696A","","","1.54184","CuKα","","0.135","0.1202","","","0.4019","0.4268","","","","","","1.833","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235117","8.547","0.0016","7.1652","0.0013","10.8277","0.0018","90","","90.898","0.011","90","","663","0.2","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- Cs O15 P5 Pb2 -","- Cs O15 P5 Pb2 -","- Cs2 O30 P10 Pb4 -","2","1","","Maierhaba Abudoureheman; Shujuan Han; Bing-Hua Lei; Zhihua Yang; Xifa Long; Shilie Pan","KPb2(PO3)5: a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge","Journal of Materials Chemistry C","2016","4","","10630","10637","10.1039/C6TC03424A","","","0.71073","MoKα","","0.0552","0.0511","","","0.1382","0.1424","","","","","","1.077","","","","has coordinates","227872","2020-10-21","18:00:00",""
"7235118","8.5207","0.0008","7.1635","0.0007","10.6027","0.001","90","","90.882","0.006","90","","647.09","0.11","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- K O15 P5 Pb2 -","- K O15 P5 Pb2 -","- K2 O30 P10 Pb4 -","2","1","","Maierhaba Abudoureheman; Shujuan Han; Bing-Hua Lei; Zhihua Yang; Xifa Long; Shilie Pan","KPb2(PO3)5: a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge","Journal of Materials Chemistry C","2016","4","","10630","10637","10.1039/C6TC03424A","","","0.71073","MoKα","","0.0314","0.0282","","","0.0579","0.0597","","","","","","1.02","","","","has coordinates","227872","2020-10-21","18:00:00",""
"7235119","8.5503","0.0008","7.1666","0.0006","10.7861","0.001","90","","91.03","0.006","90","","660.83","0.1","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- O15 P5 Pb2 Rb -","- O15 P5 Pb2 Rb -","- O30 P10 Pb4 Rb2 -","2","1","","Maierhaba Abudoureheman; Shujuan Han; Bing-Hua Lei; Zhihua Yang; Xifa Long; Shilie Pan","KPb2(PO3)5: a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge","Journal of Materials Chemistry C","2016","4","","10630","10637","10.1039/C6TC03424A","","","0.71073","MoKα","","0.0288","0.0273","","","0.055","0.0558","","","","","","1.043","","","","has coordinates","227872","2020-10-21","18:00:00",""
"7235120","10.8077","0.0005","17.3778","0.0008","18.139","0.0009","90","","90.09","0.004","90","","3406.8","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H60 N4 O3 Zr -","- C29 H60 N4 O3 Zr -","- C116 H240 N16 O12 Zr4 -","4","1","","Amanda L. Catherall; Michael S. Hill; Andrew L. Johnson; Gabriele Kociok-Kohn; Mary F. Mahon","Homoleptic zirconium amidates: single source precursors for the aerosol-assisted chemical vapour deposition of ZrO2","Journal of Materials Chemistry C","2016","4","","10731","10739","10.1039/C6TC03631G","","x-ray","0.71073","MoKα","","0.071","0.0521","","","0.1245","0.136","","","","","","1.026","","","","has coordinates,has disorder","301866","2025-08-22","21:38:29",""
"7235121","20.1357","0.0005","15.0949","0.0004","12.2443","0.0003","90","","98.836","0.002","90","","3677.44","0.16","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H64 N4 O4 Zr -","- C32 H64 N4 O4 Zr -","- C128 H256 N16 O16 Zr4 -","4","1","","Amanda L. Catherall; Michael S. Hill; Andrew L. Johnson; Gabriele Kociok-Kohn; Mary F. Mahon","Homoleptic zirconium amidates: single source precursors for the aerosol-assisted chemical vapour deposition of ZrO2","Journal of Materials Chemistry C","2016","4","","10731","10739","10.1039/C6TC03631G","","x-ray","0.71073","MoKα","","0.0649","0.0517","","","0.146","0.1553","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235122","11.7212","0.0006","16.1788","0.0009","19.0915","0.001","68.599","0.005","79.594","0.004","81.912","0.005","3304.3","0.3","150","0.3","150","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C28 H56 N4 O4 Zr -","- C28 H56 N4 O4 Zr -","- C112 H224 N16 O16 Zr4 -","4","2","","Amanda L. Catherall; Michael S. Hill; Andrew L. Johnson; Gabriele Kociok-Kohn; Mary F. Mahon","Homoleptic zirconium amidates: single source precursors for the aerosol-assisted chemical vapour deposition of ZrO2","Journal of Materials Chemistry C","2016","4","","10731","10739","10.1039/C6TC03631G","","x-ray","0.71073","MoKα","","0.0924","0.0464","","","0.0701","0.0756","","","","","","0.81","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235123","18.3482","0.0007","11.992","0.0005","8.9002","0.0004","90","","112.527","0.002","90","","1808.9","0.13","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H64 N4 O4 Zr -","- C32 H64 N4 O4 Zr -","- C64 H128 N8 O8 Zr2 -","2","0.5","","Amanda L. Catherall; Michael S. Hill; Andrew L. Johnson; Gabriele Kociok-Kohn; Mary F. Mahon","Homoleptic zirconium amidates: single source precursors for the aerosol-assisted chemical vapour deposition of ZrO2","Journal of Materials Chemistry C","2016","4","","10731","10739","10.1039/C6TC03631G","","","0.71069","MoKα","","0.0342","0.0318","","","0.0631","0.0643","","","","","","1.061","","","","has coordinates,has disorder","301866","2025-08-22","21:38:29",""
"7235124","7.7718","0.0016","7.7718","0.0016","19.077","0.007","90","","90","","90","","1152.3","0.5","153.15","","153.15","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ge4 Mn2 Na4 Se12 -","- Ge4 Mn2 Na4 Se12 -","- Ge8 Mn4 Na8 Se24 -","2","0.0625","","Molin Zhou; Wenlong Yin; Fei Liang; Arthur Mar; Zheshuai Lin; Jiyong Yao; Yicheng Wu","Na2MnGe2Se6: a new Mn-based antiferromagnetic chalcogenide with large Mn...Mn separation","Journal of Materials Chemistry C","2016","4","","10812","10819","10.1039/C6TC03825E","","","0.71073","MoKα","","0.0587","0.0448","","","0.1059","0.1141","","","","","","1.148","","","","has coordinates","227874","2020-10-21","18:00:00",""
"7235125","13.0582","0.0005","15.5436","0.0005","16.7528","0.0006","90","","111.039","0.002","90","","3173.7","0.2","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cu F12 N4 O6 -","- C26 H25 Cu F12 N4 O6 -","- C104 H100 Cu4 F48 N16 O24 -","4","1","","N. A. Artiukhova; G. V. Romanenko; A. S. Bogomyakov; I. Yu. Barskaya; S. L. Veber; M. V. Fedin; K. Yu. Maryunina; K. Inoue; V. I. Ovcharenko","Cu(ii) complex with nitronyl nitroxide whose paramagnetism is suppressed by temperature decrease and/or pressure increase","Journal of Materials Chemistry C","2016","4","","11157","11163","10.1039/C6TC03216H","","","0.71073","MoKα","","0.0691","0.0414","","","0.1065","0.1164","","","","","","0.948","","","","has coordinates,has disorder","227875","2020-10-21","18:00:00",""
"7235126","18.0709","0.0005","11.8731","0.0004","16.624","0.0005","90","","115.725","0.001","90","","3213.29","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N4 O2 -","- C16 H23 N4 O2 -","- C128 H184 N32 O16 -","8","2","","N. A. Artiukhova; G. V. Romanenko; A. S. Bogomyakov; I. Yu. Barskaya; S. L. Veber; M. V. Fedin; K. Yu. Maryunina; K. Inoue; V. I. Ovcharenko","Cu(ii) complex with nitronyl nitroxide whose paramagnetism is suppressed by temperature decrease and/or pressure increase","Journal of Materials Chemistry C","2016","4","","11157","11163","10.1039/C6TC03216H","","","1.54178","CuKα","","0.0645","0.0554","","","0.1617","0.171","","","","","","1.074","","","","has coordinates,has disorder","227875","2020-10-21","18:00:00",""
"7235127","13.113","0.006","15.597","0.007","16.766","0.008","90","","111.173","0.019","90","","3198","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cu F12 N4 O6 -","- C26 H25 Cu F12 N4 O6 -","- C104 H100 Cu4 F48 N16 O24 -","4","1","","N. A. Artiukhova; G. V. Romanenko; A. S. Bogomyakov; I. Yu. Barskaya; S. L. Veber; M. V. Fedin; K. Yu. Maryunina; K. Inoue; V. I. Ovcharenko","Cu(ii) complex with nitronyl nitroxide whose paramagnetism is suppressed by temperature decrease and/or pressure increase","Journal of Materials Chemistry C","2016","4","","11157","11163","10.1039/C6TC03216H","","","0.71073","MoKα","","0.1081","0.0495","","","0.1164","0.1391","","","","","","1.004","","","","has coordinates,has disorder","227875","2020-10-21","18:00:00",""
"7235128","12.9049","0.0006","15.4562","0.0007","16.6873","0.0008","90","","110.803","0.002","90","","3111.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cu F12 N4 O6 -","- C26 H25 Cu F12 N4 O6 -","- C104 H100 Cu4 F48 N16 O24 -","4","1","","N. A. Artiukhova; G. V. Romanenko; A. S. Bogomyakov; I. Yu. Barskaya; S. L. Veber; M. V. Fedin; K. Yu. Maryunina; K. Inoue; V. I. Ovcharenko","Cu(ii) complex with nitronyl nitroxide whose paramagnetism is suppressed by temperature decrease and/or pressure increase","Journal of Materials Chemistry C","2016","4","","11157","11163","10.1039/C6TC03216H","","","0.71073","MoKα","","0.061","0.0408","","","0.1061","0.113","","","","","","1.033","","","","has coordinates,has disorder","227875","2020-10-21","18:00:00",""
"7235129","11.4229","0.0009","11.441","0.0009","14.0936","0.0011","105.066","0.005","95.834","0.005","109.95","0.006","1634.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Cu F12 N4 O6 -","- C26 H25 Cu F12 N4 O6 -","- C52 H50 Cu2 F24 N8 O12 -","2","1","","N. A. Artiukhova; G. V. Romanenko; A. S. Bogomyakov; I. Yu. Barskaya; S. L. Veber; M. V. Fedin; K. Yu. Maryunina; K. Inoue; V. I. Ovcharenko","Cu(ii) complex with nitronyl nitroxide whose paramagnetism is suppressed by temperature decrease and/or pressure increase","Journal of Materials Chemistry C","2016","4","","11157","11163","10.1039/C6TC03216H","","","0.71073","MoKα","","0.1822","0.0549","","","0.1385","0.1855","","","","","","0.909","","","","has coordinates,has disorder","227875","2020-10-21","18:00:00",""
"7235130","13.481","0.002","14.38","0.002","16.521","0.003","90","","111.68","0.007","90","","2976.2","0.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cu F12 N4 O6 -","- C26 H25 Cu F12 N4 O6 -","- C104 H100 Cu4 F48 N16 O24 -","4","1","","N. A. Artiukhova; G. V. Romanenko; A. S. Bogomyakov; I. Yu. Barskaya; S. L. Veber; M. V. Fedin; K. Yu. Maryunina; K. Inoue; V. I. Ovcharenko","Cu(ii) complex with nitronyl nitroxide whose paramagnetism is suppressed by temperature decrease and/or pressure increase","Journal of Materials Chemistry C","2016","4","","11157","11163","10.1039/C6TC03216H","","","0.71073","MoKα","","0.1474","0.068","","","0.1558","0.1989","","","","","","1.043","","","","has coordinates,has disorder","227875","2020-10-21","18:00:00",""
"7235131","8.1795","0.0004","11.5234","0.0006","8.0835","0.0004","90","","90","","90","","761.92","0.07","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","methylammonium formato nickel(ii)","","","- C4 H9 N Ni O6 -","- C4 H9 N Ni O6 -","- C16 H36 N4 Ni4 O24 -","4","0.5","","B. Pato-Doldan; L. C. Gomez-Aguirre; A. P. Hansen; J. Mira; S. Castro-Garcia; M. Sanchez-Andujar; M. A. Senaris-Rodriguez; V. S. Zapf; J. Singleton","Magnetic transitions and isotropic versus anisotropic magnetic behaviour of [CH3NH3][M(HCOO)3] M = Mn2+, Co2+, Ni2+, Cu2+ metal-organic perovskites","Journal of Materials Chemistry C","2016","4","","11164","11172","10.1039/C6TC03992H","","","0.71073","MoKα","","0.0271","0.0215","","","0.0605","0.0661","","","","","","0.807","","","","has coordinates","227876","2020-10-21","18:00:00",""
"7235132","18.4219","0.0009","16.0449","0.0008","18.5278","0.0009","90","","112.218","0.002","90","","5069.8","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 Ir Mo4 N5 O13 -","- C48 H60 Ir Mo4 N5 O13 -","- C192 H240 Ir4 Mo16 N20 O52 -","4","1","","P. Bolle; H. Serier-Brault; R. Genois; E. Faulques; A. Boulmier; O. Oms; M. Lepeltier; J. Marrot; A. Dolbecq; P. Mialane; R. Dessapt","Drastic solid-state luminescence color tuning of an archetypal Ir(iii) complex using polyoxometalates and its application as a vapoluminescence chemosensor","Journal of Materials Chemistry C","2016","4","","11392","11395","10.1039/C6TC04341K","","","0.71073","MoKα","","0.0906","0.0679","","","0.1457","0.1737","","","","","","1.228","","","","has coordinates,has disorder","227877","2020-10-21","18:00:00",""
"7235133","12.3566","0.0013","13.4083","0.0015","21.918","0.003","90","","92.173","0.005","90","","3628.8","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H66 Ir2 Mo4 N8 O18 -","- C72 H66 Ir2 Mo4 N8 O18 -","- C144 H132 Ir4 Mo8 N16 O36 -","2","0.5","","P. Bolle; H. Serier-Brault; R. Genois; E. Faulques; A. Boulmier; O. Oms; M. Lepeltier; J. Marrot; A. Dolbecq; P. Mialane; R. Dessapt","Drastic solid-state luminescence color tuning of an archetypal Ir(iii) complex using polyoxometalates and its application as a vapoluminescence chemosensor","Journal of Materials Chemistry C","2016","4","","11392","11395","10.1039/C6TC04341K","","","0.71073","MoKα","","0.0305","0.0227","","","0.0573","0.0627","","","","","","0.847","","","","has coordinates","227878","2020-10-21","18:00:00",""
"7235134","39.372","0.004","13.8234","0.0012","29.806","0.003","90","","125.343","0.004","90","","13232","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C128 H96 Ir4 Mo8 N16 O26 -","- C128 H96 Ir4 Mo8 N16 O26 -","- C512 H384 Ir16 Mo32 N64 O104 -","4","0.5","","P. Bolle; H. Serier-Brault; R. Genois; E. Faulques; A. Boulmier; O. Oms; M. Lepeltier; J. Marrot; A. Dolbecq; P. Mialane; R. Dessapt","Drastic solid-state luminescence color tuning of an archetypal Ir(iii) complex using polyoxometalates and its application as a vapoluminescence chemosensor","Journal of Materials Chemistry C","2016","4","","11392","11395","10.1039/C6TC04341K","","","0.71073","MoKα","","0.187","0.0941","","","0.2007","0.2421","","","","","","1.116","","","","has coordinates","227879","2020-10-21","18:00:00",""
"7235135","15.2896","0.0002","15.2896","0.0002","15.6713","0.0004","90","","90","","120","","3172.69","0.1","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C66 H48 Ir2 N6 O19 W6 -","- C66 H48 Ir2 N6 O19 W6 -","- C132 H96 Ir4 N12 O38 W12 -","2","0.166667","","P. Bolle; H. Serier-Brault; R. Genois; E. Faulques; A. Boulmier; O. Oms; M. Lepeltier; J. Marrot; A. Dolbecq; P. Mialane; R. Dessapt","Drastic solid-state luminescence color tuning of an archetypal Ir(iii) complex using polyoxometalates and its application as a vapoluminescence chemosensor","Journal of Materials Chemistry C","2016","4","","11392","11395","10.1039/C6TC04341K","","","0.71073","MoKα","","0.0453","0.0361","","","0.0982","0.1046","","","","","","1.115","","","","has coordinates","227880","2020-10-21","18:00:00",""
"7235136","8.6563","0.0009","9.064","0.0009","13.2673","0.0013","106.62","0.001","92.775","0.001","100.439","0.001","975.4","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H19 Cd N5 O5 S -","- C17 H19 Cd N5 O5 S -","- C34 H38 Cd2 N10 O10 S2 -","2","1","","Ying-Jiao Yang; Meng-Jie Wang; Kou-Lin Zhang","A novel photoluminescent Cd(ii)-organic framework exhibiting rapid and efficient multi-responsive fluorescence sensing for trace amounts of Fe3+ ions and some NACs, especially for 4-nitroaniline and 2-methyl-4-nitroaniline","Journal of Materials Chemistry C","2016","4","","11404","11418","10.1039/C6TC04195G","","","0.71073","MoKα","","0.039","0.0383","","","0.1043","0.105","","","","","","1.075","","","","has coordinates","227882","2020-10-21","18:00:00",""
"7235137","9.224","0.005","15.412","0.008","16.217","0.008","90","","99.827","0.014","90","","2272","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 B N -","- C28 H28 B N -","- C112 H112 B4 N4 -","4","1","","Kalluvettukuzhy K. Neena; Pakkirisamy Thilagar","Replacing the non-polarized C[double bond, length as m-dash]C bond with an isoelectronic polarized B-N unit for the design and development of smart materials","Journal of Materials Chemistry C","2016","4","","11465","11473","10.1039/C6TC04470K","","","0.71073","MoKα","","0.0889","0.0675","","","0.1858","0.2023","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235138","9.418","0.004","15.613","0.006","16.741","0.007","90","","94.846","0.011","90","","2452.9","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 B N -","- C30 H32 B N -","- C120 H128 B4 N4 -","4","1","","Kalluvettukuzhy K. Neena; Pakkirisamy Thilagar","Replacing the non-polarized C[double bond, length as m-dash]C bond with an isoelectronic polarized B-N unit for the design and development of smart materials","Journal of Materials Chemistry C","2016","4","","11465","11473","10.1039/C6TC04470K","","","0.71073","MoKα","","0.0969","0.0662","","","0.1914","0.2148","","","","","","0.962","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235139","17.373","0.003","9.3612","0.0014","18.579","0.003","90","","113.262","0.007","90","","2775.9","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 B N2 -","- C32 H37 B N2 -","- C128 H148 B4 N8 -","4","1","","Kalluvettukuzhy K. Neena; Pakkirisamy Thilagar","Replacing the non-polarized C[double bond, length as m-dash]C bond with an isoelectronic polarized B-N unit for the design and development of smart materials","Journal of Materials Chemistry C","2016","4","","11465","11473","10.1039/C6TC04470K","","","0.71073","MoKα","","0.0889","0.049","","","0.1214","0.1374","","","","","","0.966","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235140","20.5005","0.0012","12.535","0.0007","14.2586","0.0008","90","","105.861","0.002","90","","3524.6","0.3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 B0.5 N1.5 -","- C17 H21 B0.5 N1.5 -","- C136 H168 B4 N12 -","8","1","","Kalluvettukuzhy K. Neena; Pakkirisamy Thilagar","Replacing the non-polarized C[double bond, length as m-dash]C bond with an isoelectronic polarized B-N unit for the design and development of smart materials","Journal of Materials Chemistry C","2016","4","","11465","11473","10.1039/C6TC04470K","","","0.71073","MoKα","","0.0929","0.061","","","0.1691","0.1821","","","","","","1.128","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235284","9.8296","0.0015","10.2016","0.0016","12.6394","0.0019","78.083","0.002","70.581","0.002","70.89","0.002","1122.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 Br N2 O3 -","- C26 H23 Br N2 O3 -","- C52 H46 Br2 N4 O6 -","2","1","","Sun, Cheng-Jun; Chen, Wen; Li, Yan; Liu, Lan-Xiang; Wang, Xue-Quan; Li, Li-Juan; Zhang, Hong-Bin; Yang, Xiao-Dong","Design, synthesis and antitumor activity of novel 8-substituted 2,3,5,6-tetrahydrobenzo[1,2-b:4,5-b′]difuran imidazolium salt derivatives","RSC Adv.","2014","4","31","16312","","10.1039/C3RA43183E","","","0.71073","MoKα","","0.1095","0.0596","","","0.1702","0.2265","","","","","","0.929","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235289","9.359","0.004","10.657","0.004","19.105","0.007","90","","90","","90","","1905.5","1.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N5 O4 -","- C17 H27 N5 O4 -","- C68 H108 N20 O16 -","4","1","","Agrawal, Sumit K.; Panini, Piyush; Sathe, Manisha; Chopra, Deepak; Kaushik, M. P.","Design and synthesis of cyclic depsipeptides containing triazole (CDPT) rings","RSC Advances","2014","4","21","10728","","10.1039/c3ra45100c","","","0.71073","MoKα","","0.1384","0.0719","","","0.1407","0.1679","","","","","","0.906","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7235290","10.045","0.002","25.202","0.005","11.186","0.002","90","","114.18","0.03","90","","2583.3","1.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Cl Co N4 O6 -","- C24 H34 Cl Co N4 O6 -","- C96 H136 Cl4 Co4 N16 O24 -","4","1","","Nasr-Esfahani, Mojtaba; Zendehdel, Mahmoud; Yaghoobi Nia, Narges; Jafari, Behroz; Khosravi Babadi, Mohsen","Fabrication and characterization of a new dye sensitized solar cell with a new Schiff base cobalt complex as a redox mediator","RSC Advances","2014","4","31","15961","","10.1039/C3RA46531D","","","0.71073","MoKα","","0.1449","0.0658","","","0.1084","0.1284","","","","","","0.956","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235291","10.115","0.002","8.791","0.0018","15.671","0.003","90","","103.74","0.03","90","","1353.6","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H37 N O7 -","- C29 H37 N O7 -","- C58 H74 N2 O14 -","2","1","","Liu, Zhuyun; Law, Wai-Kit; Wang, Decai; Nie, Xin; Sheng, Dekuan; Song, Genrui; Guo, Kai; Wei, Ping; Ouyang, Pingkai; Wong, Chi-Wai; Zhou, Guo-Chun","Synthesis and discovery of andrographolide derivatives as non-steroidal farnesoid X receptor (FXR) antagonists","RSC Adv.","2014","4","26","13533","","10.1039/C3RA46715E","","","0.71073","MoKα","","0.133","0.0686","","","0.1442","0.1788","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235292","10.997","0.005","11.276","0.005","14.078","0.005","108.664","0.005","95.444","0.005","103.641","0.005","1579.5","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 N6 O4 S -","- C36 H29 N3 O7 S -","- C72 H58 N6 O14 S2 -","2","1","","Bakthadoss, Manickam; Kannan, Damodharan","A novel synthesis of tetra and pentacyclic quinolinopyran tethered pyrazole/coumarin scaffolds via a solid state melt reaction","RSC Advances","2014","4","23","11723","","10.1039/c3ra46894a","","","0.71073","MoKα","","0.0791","0.0533","","","0.1501","0.1861","","","","","","0.817","","","","has coordinates","232666","2020-10-21","18:00:00",""
"7235293","9.6865","0.0002","9.0575","0.0003","38.51","0.001","90","","92.175","0.002","90","","3376.26","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 N4 O3 S -","- C40 H32 N4 O3 S -","- C160 H128 N16 O12 S4 -","4","1","","Bakthadoss, Manickam; Kannan, Damodharan","A novel synthesis of tetra and pentacyclic quinolinopyran tethered pyrazole/coumarin scaffolds via a solid state melt reaction","RSC Advances","2014","4","23","11723","","10.1039/c3ra46894a","","","0.71073","MoKα","","0.0737","0.0505","","","0.1177","0.1301","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235294","28.633","0.003","9.3215","0.0007","24.59","0.002","90","","115.976","0.003","90","","5900.1","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Br N O7 S -","- C34 H26 Br N O7 S -","- C272 H208 Br8 N8 O56 S8 -","8","1","","Bakthadoss, Manickam; Kannan, Damodharan","A novel synthesis of tetra and pentacyclic quinolinopyran tethered pyrazole/coumarin scaffolds via a solid state melt reaction","RSC Advances","2014","4","23","11723","","10.1039/c3ra46894a","","","0.71073","MoKα","","0.0849","0.0502","","","0.1432","0.1746","","","","","","1.056","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235295","8.5775","0.0004","24.9943","0.0013","13.7319","0.0007","90","","103.558","0.002","90","","2861.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N2 O6 S -","- C34 H26 N2 O6 S -","- C136 H104 N8 O24 S4 -","4","1","","Bakthadoss, Manickam; Kannan, Damodharan","A novel synthesis of tetra and pentacyclic quinolinopyran tethered pyrazole/coumarin scaffolds via a solid state melt reaction","RSC Advances","2014","4","23","11723","","10.1039/c3ra46894a","","","0.71073","MoKα","","0.0677","0.041","","","0.0952","0.1208","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235296","5.27","0.0008","7.28","0.0011","18.461","0.003","92.723","0.002","96.98","0.003","110.788","0.003","654.11","0.18","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N4 S4 -","- C28 H26 N4 S4 -","- C28 H26 N4 S4 -","1","0.5","","Wu, Qinghe; Qiao, Xiaolan; Huang, Qiuliu; Li, Jie; Xiong, Yu; Gao, Xike; Li, Hongxiang","High-performance n-channel field effect transistors based on solution-processed dicyanomethylene-substituted tetrathienoquinoid","RSC Adv.","2014","4","33","16939","","10.1039/C3RA47095D","","","0.71073","MoKα","","0.0381","0.0298","","","0.0746","0.0797","","","","","","1.035","","","","has coordinates","232669","2020-10-21","18:00:00",""
"7235297","10.109","0.003","20.659","0.005","14.446","0.004","90","","90.842","0.006","90","","3016.6","1.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H34 Cl N2 O6 P -","- C30 H34 Cl N2 O6 P -","- C120 H136 Cl4 N8 O24 P4 -","4","2","","Xie, Xiaohua; Jing, Linhai; Qin, Dabin; He, Wujun; Wu, Song; Jin, Lunqiang; Luo, Gan","Regioselective asymmetric stereoablative O-alkylation of α-nitrophosphonates via o-azaxylylene intermediates generated in situ from 3-bromooxindoles","RSC Advances","2014","4","23","11605","","10.1039/c3ra47100d","","","0.71073","MoKα","","0.1227","0.0635","","","0.1297","0.1503","","","","","","1.05","","","","has coordinates","232670","2020-10-21","18:00:00",""
"7235298","10.6768","0.0004","12.6832","0.0004","19.677","0.0009","84.345","0.003","75.994","0.003","76.864","0.003","2515.04","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H84 Ag6 N20 O21 S4 -","- C98 H84 Ag6 N20 O21 S4 -","- C98 H84 Ag6 N20 O21 S4 -","1","0.5","","Ma, Ai-Qing; Zhu, Long-Guan","Diverse silver(i) sulfobenzoate coordination polymers and their recycling property as homogeneous catalyst in oxygenation of sulfide","RSC Adv.","2014","4","28","14691","","10.1039/C3RA47136E","","","0.71073","MoKα","","0.0585","0.0408","","","0.0933","0.1034","","","","","","1.021","","","","has coordinates,has disorder","232673","2020-10-21","18:00:00",""
"7235299","10.4087","0.0004","11.5583","0.0005","12.1619","0.0006","88.778","0.004","72.109","0.004","80.521","0.004","1372.73","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 Ag N6 O5 S -","- C28 H26 Ag N6 O5 S -","- C56 H52 Ag2 N12 O10 S2 -","2","1","","Ma, Ai-Qing; Zhu, Long-Guan","Diverse silver(i) sulfobenzoate coordination polymers and their recycling property as homogeneous catalyst in oxygenation of sulfide","RSC Adv.","2014","4","28","14691","","10.1039/C3RA47136E","","","0.71073","MoKα","","0.0398","0.0317","","","0.076","0.0817","","","","","","1","","","","has coordinates","232673","2020-10-21","18:00:00",""
"7235300","10.6331","0.0003","11.3717","0.0003","18.0884","0.0005","98.097","0.001","98.286","0.001","113.971","0.001","1928.99","0.09","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H40 Ag2 N8 O9 S -","- C35 H40 Ag2 N8 O9 S -","- C70 H80 Ag4 N16 O18 S2 -","2","1","","Ma, Ai-Qing; Zhu, Long-Guan","Diverse silver(i) sulfobenzoate coordination polymers and their recycling property as homogeneous catalyst in oxygenation of sulfide","RSC Adv.","2014","4","28","14691","","10.1039/C3RA47136E","","","0.71073","MoKα","","0.0438","0.038","","","0.1071","0.1166","","","","","","1.064","","","","has coordinates","232673","2020-10-21","18:00:00",""
"7235301","8.228","0.0004","10.4465","0.0005","13.3444","0.0007","92.427","0.001","90.631","0.001","94.105","0.001","1142.92","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 Ag N4 O7 S -","- C21 H23 Ag N4 O7 S -","- C42 H46 Ag2 N8 O14 S2 -","2","1","","Ma, Ai-Qing; Zhu, Long-Guan","Diverse silver(i) sulfobenzoate coordination polymers and their recycling property as homogeneous catalyst in oxygenation of sulfide","RSC Adv.","2014","4","28","14691","","10.1039/C3RA47136E","","","0.71073","MoKα","","0.0417","0.0322","","","0.0945","0.118","","","","","","1.088","","","","has coordinates","232673","2020-10-21","18:00:00",""
"7235302","13.846","0.002","9.356","0.0019","10.23","0.0015","90","","101.896","0.011","90","","1296.8","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O -","- C17 H12 O -","- C68 H48 O4 -","4","1","","Nasr-Esfahani, Mahboobeh; Mohammadpoor-Baltork, Iraj; Khosropour, Ahmad Reza; Moghadam, Majid; Mirkhani, Valiollah; Tangestaninejad, Shahram; Agabekov, Vladislav; Rudbari, Hadi Amiri","Copper immobilized on nano-silica triazine dendrimer (Cu(ii)-TD@nSiO2) catalyzed synthesis of symmetrical and unsymmetrical 1,3-diynes under aerobic conditions at ambient temperature","RSC Adv.","2014","4","27","14291","","10.1039/C3RA47184E","","","0.71073","MoKα","","0.1991","0.052","","","0.0806","0.1092","","","","","","0.924","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235303","8.8634","0.0004","10.7499","0.0005","11.811","0.0006","96.088","0.003","98.252","0.003","97.358","0.003","1095.62","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 N O -","- C28 H27 N O -","- C56 H54 N2 O2 -","2","1","","Borah, Ruli; Dutta, Arup Kumar; Sarma, Parishmita; Dutta, Champak; Sarma, Bipul","Synthesis of anti-2,3-dihydro-1,2,3-trisubstituted-1H-naphth [1,2-e][1,3]oxazine derivatives via multicomponent approach","RSC Advances","2014","4","21","10912","","10.1039/c3ra47211f","","","0.71073","MoKα","","0.0746","0.0478","","","0.1377","0.1713","","","","","","1.064","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235304","8.5795","0.0002","15.1441","0.0004","20.1757","0.0005","86.416","0.002","85.757","0.002","80.379","0.002","2574.1","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H29 N O -","- C33 H29 N O -","- C132 H116 N4 O4 -","4","2","","Borah, Ruli; Dutta, Arup Kumar; Sarma, Parishmita; Dutta, Champak; Sarma, Bipul","Synthesis of anti-2,3-dihydro-1,2,3-trisubstituted-1H-naphth [1,2-e][1,3]oxazine derivatives via multicomponent approach","RSC Advances","2014","4","21","10912","","10.1039/c3ra47211f","","","0.71073","MoKα","","0.1951","0.0758","","","0.2109","0.307","","","","","","0.964","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235305","4.8667","0.0003","7.7561","0.0004","18.3813","0.0012","90","","90.214","0.004","90","","693.83","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C36 H28 N4 O8 -","2","0.5","","Pandeeswar, M.; Khare, Harshavardhan; Ramakumar, Suryanarayanarao; Govindaraju, T.","Biomimetic molecular organization of naphthalene diimide in the solid state: tunable (chiro-) optical, viscoelastic and nanoscale properties","RSC Adv.","2014","4","39","20154","","10.1039/C3RA47257D","","","0.71073","MoKα","","0.0732","0.0472","","","0.113","0.1257","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235306","8.953","0.003","13.508","0.006","27.663","0.011","90","","90","","90","","3345","2","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C36 H34 N2 O10 S2 -","- C36 H34 N2 O10 S2 -","- C144 H136 N8 O40 S8 -","4","0.5","","Pandeeswar, M.; Khare, Harshavardhan; Ramakumar, Suryanarayanarao; Govindaraju, T.","Biomimetic molecular organization of naphthalene diimide in the solid state: tunable (chiro-) optical, viscoelastic and nanoscale properties","RSC Adv.","2014","4","39","20154","","10.1039/C3RA47257D","","","0.71073","MoKα","","0.105","0.085","","","0.2097","0.2233","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235307","9.104","0.007","13.55","0.01","28.2","0.02","90","","90","","90","","3479","4","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C36 H34 N2 O10 S2 -","- C36 H34 N2 O10 S2 -","- C144 H136 N8 O40 S8 -","4","0.5","","Pandeeswar, M.; Khare, Harshavardhan; Ramakumar, Suryanarayanarao; Govindaraju, T.","Biomimetic molecular organization of naphthalene diimide in the solid state: tunable (chiro-) optical, viscoelastic and nanoscale properties","RSC Adv.","2014","4","39","20154","","10.1039/C3RA47257D","","","0.71073","MoKα","","0.1527","0.0774","","","0.1685","0.205","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235308","8.67","0.002","19.624","0.005","25.099","0.007","90","","90","","90","","4270.3","1.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H42 N4 O13 S3 -","- C42 H42 N4 O13.15 S3 -","- C168 H168 N16 O52.6 S12 -","4","1","","Pandeeswar, M.; Khare, Harshavardhan; Ramakumar, Suryanarayanarao; Govindaraju, T.","Biomimetic molecular organization of naphthalene diimide in the solid state: tunable (chiro-) optical, viscoelastic and nanoscale properties","RSC Adv.","2014","4","39","20154","","10.1039/C3RA47257D","","","0.71073","MoKα","","0.1382","0.0707","","","0.1376","0.1685","","","","","","0.979","","","","has coordinates","232680","2020-10-21","18:00:00",""
"7235309","24.2349","0.0005","7.0289","0.0001","14.7664","0.0003","90","","90.826","0.001","90","","2515.12","0.08","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H26 N2 O10 S2 -","- C24 H26 N2 O10 S2 -","- C96 H104 N8 O40 S8 -","4","1","","Pandeeswar, M.; Khare, Harshavardhan; Ramakumar, Suryanarayanarao; Govindaraju, T.","Biomimetic molecular organization of naphthalene diimide in the solid state: tunable (chiro-) optical, viscoelastic and nanoscale properties","RSC Adv.","2014","4","39","20154","","10.1039/C3RA47257D","","","0.71073","MoKα","","0.0429","0.0374","","","0.0826","0.0887","","","","","","1.086","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235310","24.302","0.002","7.0441","0.0006","14.8026","0.0011","90","","90.782","0.005","90","","2533.8","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H26 N2 O10 S2 -","- C24 H26 N2 O10 S2 -","- C96 H104 N8 O40 S8 -","4","1","","Pandeeswar, M.; Khare, Harshavardhan; Ramakumar, Suryanarayanarao; Govindaraju, T.","Biomimetic molecular organization of naphthalene diimide in the solid state: tunable (chiro-) optical, viscoelastic and nanoscale properties","RSC Adv.","2014","4","39","20154","","10.1039/C3RA47257D","","","0.71073","MoKα","","0.0558","0.0422","","","0.09","0.0966","","","","","","1.034","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235311","7.0006","0.0003","7.8988","0.0004","14.9207","0.0007","92.055","0.003","102.842","0.003","97.201","0.003","796.34","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N O6 S -","- C15 H19 N O6 S -","- C30 H38 N2 O12 S2 -","2","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine–methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.1089","0.0638","","","0.1459","0.1713","","","","","","0.965","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235312","7.0252","0.0015","8.1514","0.0016","14.875","0.003","97.853","0.011","103.477","0.008","100.941","0.008","798.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N O6 S -","- C15 H19 N O6 S -","- C30 H38 N2 O12 S2 -","2","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine–methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.2373","0.1915","","","0.4683","0.4949","","","","","","1.093","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235313","8.244","0.0003","7.4617","0.0003","27.2752","0.0011","90","","96.372","0.002","90","","1667.45","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N O6 S2 -","- C14 H17 N O6 S2 -","- C56 H68 N4 O24 S8 -","4","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine–methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.0696","0.0511","","","0.1289","0.1398","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235314","8.0832","0.0002","7.1669","0.0002","27.7096","0.0006","90","","96.214","0.001","90","","1595.83","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N O6 S2 -","- C14 H17 N O6 S2 -","- C56 H68 N4 O24 S8 -","4","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine–methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.0714","0.0553","","","0.1315","0.1402","","","","","","1.117","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235315","6.9045","0.0002","7.9441","0.0002","15.2565","0.0004","82.911","0.001","77.052","0.001","81.884","0.001","803.71","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","1","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine–methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.0382","0.0379","","","0.1035","0.1037","","","","","","1.073","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235316","6.8872","0.0003","7.9769","0.0004","15.0753","0.0007","93.167","0.003","102.378","0.003","98.319","0.003","797.26","0.07","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","1","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.089","0.084","","","0.2339","0.2389","","","","","","1.122","","","","has coordinates,has disorder","232684","2020-10-21","18:00:00",""
"7235317","6.9689","0.0005","8.0453","0.0005","14.9788","0.001","93.118","0.003","101.808","0.003","98.412","0.003","810.11","0.09","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","1","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.1501","0.1133","","","0.2823","0.3106","","","","","","1.064","","","","has coordinates,has disorder","232684","2020-10-21","18:00:00",""
"7235318","6.8789","0.0006","8.1405","0.0007","14.5005","0.0013","92.437","0.005","98.844","0.005","99.96","0.005","788.25","0.12","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","1","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine–methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.0857","0.0747","","","0.1964","0.2113","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235319","7.7603","0.0001","6.9346","0.0001","15.1225","0.0001","90","","93.392","0.001","90","","812.385","0.017","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O6 S -","- C15 H19 N O6 S -","- C30 H38 N2 O12 S2 -","2","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine–methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.0249","0.0245","","","0.0637","0.0641","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235320","7.8661","0.0004","7.17","0.0004","14.9612","0.0008","90","","91.665","0.004","90","","843.45","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15.42 H18.58 N O6 S -","- C15.422 H18.578 N O6 S -","- C30.844 H37.156 N2 O12 S2 -","2","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","0.71073","MoKα","","0.1746","0.0728","","","0.1787","0.2291","","","","","","1.008","","","","has coordinates,has disorder","232684","2020-10-21","18:00:00",""
"7235321","5.0738","0.0001","8.143","0.0002","18.6485","0.0004","91.867","0.001","93.641","0.001","97.715","0.002","761.31","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H13 Cl2 N O6 S -","- C12 H13 Cl2 N O6 S -","- C24 H26 Cl4 N2 O12 S2 -","2","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine–methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.0804","0.0619","","","0.1825","0.1989","","","","","","1.062","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235322","5.1963","0.0001","29.5944","0.0006","9.2515","0.0002","90","","99.075","0.001","90","","1404.9","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O6 S -","- C11 H11 N O6 S -","- C44 H44 N4 O24 S4 -","4","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.049","0.0446","","","0.1098","0.1123","","","","","","1.073","","","","has coordinates,has disorder","232684","2020-10-21","18:00:00",""
"7235323","6.285","0.0004","19.165","0.0013","10.0101","0.0007","90","","90","","90","","1205.74","0.14","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H12 Br N O4 -","- C12 H12 Br N O4 -","- C48 H48 Br4 N4 O16 -","4","1","","Naumova, A. S.; Mikhaylov, A. A.; Khomutova, Yu. A.; Novikov, R. A.; Arkhipov, D. E.; Korlyukov, A. A.; Ioffe, S. L.","Three-step assembly of 4-aminotetrahydropyran-2-ones from isoxazoline-2-oxides","RSC Advances","2014","4","24","12467","","10.1039/c3ra47309k","","","0.71073","MoKα","","0.0325","0.0282","","","0.0638","0.0659","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235324","12.3354","0.0006","14.4555","0.0007","6.7455","0.0003","90","","90","","90","","1202.82","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H12 Br N O4 -","- C12 H12 Br N O4 -","- C48 H48 Br4 N4 O16 -","4","1","","Naumova, A. S.; Mikhaylov, A. A.; Khomutova, Yu. A.; Novikov, R. A.; Arkhipov, D. E.; Korlyukov, A. A.; Ioffe, S. L.","Three-step assembly of 4-aminotetrahydropyran-2-ones from isoxazoline-2-oxides","RSC Advances","2014","4","24","12467","","10.1039/c3ra47309k","","","0.71073","MoKα","","0.0284","0.0222","","","0.0476","0.0492","","","","","","1.006","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235325","9.1284","0.0006","8.5176","0.0006","20.2454","0.0014","90","","97.403","0.005","90","","1561","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CYH-3a0","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Chen, Jianyang; Liu, Bo; Chen, Yanhong; He, Qian; Yang, Chunhao","Copper(ii)-catalyzed cascade approach for the synthesis of pyrrolo[2,1-f][1,2,4]triazine-fused isoquinolines","RSC Advances","2014","4","22","11168","","10.1039/c3ra47324d","","","0.71073","MoKα","","0.1119","0.0693","","","0.1689","0.2043","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235326","9.949","0.004","8.617","0.002","16.845","0.013","90","","94.09","0.04","90","","1440.5","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","","Kumari, Kumkum; Allam, Bharat Kumar; Singh, Krishna Nand","A simple and sustainable tetrabutylammonium fluoride (TBAF)-catalyzed synthesis of azaarene-substituted 3-hydroxy-2-oxindoles through sp3 C–H functionalization","RSC Adv.","2014","4","38","19789","","10.1039/C3RA47332E","","","0.71073","MoKα","","0.1324","0.0796","","","0.2242","0.2933","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235327","5.9087","0.0014","7.3564","0.0017","27.796","0.007","90","","93.569","0.005","90","","1205.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N2 O3 -","- C15 H10 N2 O3 -","- C60 H40 N8 O12 -","4","1","","Dinda, Milan; Samanta, Supravat; Eringathodi, Suresh; Ghosh, Pushpito K.","Solar photo-thermochemical syntheses of 4-bromo-2,5-substituted oxazoles from N-arylethylamides","RSC Advances","2014","4","24","12252","","10.1039/c3ra47603k","","","0.71073","MoKα","","0.115","0.0665","","","0.126","0.1456","","","","","","1.078","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235328","7.538","0.004","8.691","0.005","11.877","0.007","80.826","0.009","83.217","0.009","73.581","0.008","734.6","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H8 Br Cl F3 N O -","- C16 H8 Br Cl F3 N O -","- C32 H16 Br2 Cl2 F6 N2 O2 -","2","1","","Dinda, Milan; Samanta, Supravat; Eringathodi, Suresh; Ghosh, Pushpito K.","Solar photo-thermochemical syntheses of 4-bromo-2,5-substituted oxazoles from N-arylethylamides","RSC Advances","2014","4","24","12252","","10.1039/c3ra47603k","","","0.71073","MoKα","","0.0452","0.043","","","0.1313","0.1363","","","","","","1.126","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235329","9.9571","0.0005","22.3032","0.0012","13.062","0.0007","90","","109.781","0.001","90","","2729.6","0.2","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H43 N O3 -","- C30 H43 N O3 -","- C120 H172 N4 O12 -","4","1","","Abakumov, Gleb A.; Druzhkov, Nikolay O.; Egorova, Elena N.; Kocherova, Tatiana N.; Shavyrin, Andrey S.; Cherkasov, Anton V.","Intramolecular cyclization–decyclization of new sterically hindered diiminophenol. Synthesis and coordination abilities","RSC Adv.","2014","4","28","14495","","10.1039/C3RA47669C","","","0.71073","MoKα","","0.0655","0.0502","","","0.1251","0.1346","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235330","19.3052","0.0006","11.9215","0.0004","19.4653","0.0007","90","","119.466","0.001","90","","3900.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H54 Cd I2 N2 O2 -","- C34 H54 Cd I2 N2 O2 -","- C136 H216 Cd4 I8 N8 O8 -","4","1","","Abakumov, Gleb A.; Druzhkov, Nikolay O.; Egorova, Elena N.; Kocherova, Tatiana N.; Shavyrin, Andrey S.; Cherkasov, Anton V.","Intramolecular cyclization‒decyclization of new sterically hindered diiminophenol. Synthesis and coordination abilities","RSC Adv.","2014","4","28","14495","","10.1039/C3RA47669C","","","0.71073","MoKα","","0.0276","0.0229","","","0.055","0.0566","","","","","","1.026","","","","has coordinates","232695","2020-10-21","18:00:00",""
"7235331","12.7219","0.0002","17.4042","0.0004","17.4215","0.0004","72.4734","0.0019","78.2835","0.0017","73.561","0.0017","3498.53","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68.2 H107.5 Cd2 N4 O3.55 -","- C68.2 H107.5 Cd2 N4 O3.55 -","- C136.4 H215 Cd4 N8 O7.1 -","2","1","","Abakumov, Gleb A.; Druzhkov, Nikolay O.; Egorova, Elena N.; Kocherova, Tatiana N.; Shavyrin, Andrey S.; Cherkasov, Anton V.","Intramolecular cyclization‒decyclization of new sterically hindered diiminophenol. Synthesis and coordination abilities","RSC Adv.","2014","4","28","14495","","10.1039/C3RA47669C","","","0.71073","MoKα","","0.089","0.0748","","","0.1856","0.1943","","","","","","1.053","","","","has coordinates,has disorder","232695","2020-10-21","18:00:00",""
"7235332","15.0475","0.0003","26.8007","0.0004","16.0102","0.0003","90","","109.913","0.002","90","","6070.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H96 Cd N4 O3 -","- C64 H96 Cd N4 O3 -","- C256 H384 Cd4 N16 O12 -","4","1","","Abakumov, Gleb A.; Druzhkov, Nikolay O.; Egorova, Elena N.; Kocherova, Tatiana N.; Shavyrin, Andrey S.; Cherkasov, Anton V.","Intramolecular cyclization–decyclization of new sterically hindered diiminophenol. Synthesis and coordination abilities","RSC Adv.","2014","4","28","14495","","10.1039/C3RA47669C","","","0.71073","MoKα","","0.0509","0.0392","","","0.0969","0.102","","","","","","1.033","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235333","8.9199","0.0004","18.9724","0.0008","17.1673","0.0011","90","","100.522","0.005","90","","2856.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H61 Cl4 N O2 P2 -","- C64 H61 Cl4 N O2 P2 -","- C128 H122 Cl8 N2 O4 P4 -","2","0.5","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Volochnyuk, Dmitriy M.; Shishkina, Svitlana V.; Shishkin, Oleg V.; Komarov, Igor V.","Conformationally restricted glutamic acid analogues: stereoisomers of 1-aminospiro[3.3]heptane-1,6-dicarboxylic acid","RSC Advances","2014","4","21","10894","","10.1039/c3ra47725h","","","0.71073","MoKα","","0.1113","0.0975","","","0.2709","0.2852","","","","","","1.227","","","","has coordinates","232697","2020-10-21","18:00:00",""
"7235334","6.094","0.0005","15.4178","0.0015","17.637","0.002","90","","90","","90","","1657.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Volochnyuk, Dmitriy M.; Shishkina, Svitlana V.; Shishkin, Oleg V.; Komarov, Igor V.","Conformationally restricted glutamic acid analogues: stereoisomers of 1-aminospiro[3.3]heptane-1,6-dicarboxylic acid","RSC Advances","2014","4","21","10894","","10.1039/c3ra47725h","","","0.71073","MoKα","","0.2135","0.0484","","","0.0471","0.0637","","","","","","0.793","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235335","6.1255","0.0006","11.218","0.0011","24.188","0.002","90","","90","","90","","1662.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Volochnyuk, Dmitriy M.; Shishkina, Svitlana V.; Shishkin, Oleg V.; Komarov, Igor V.","Conformationally restricted glutamic acid analogues: stereoisomers of 1-aminospiro[3.3]heptane-1,6-dicarboxylic acid","RSC Advances","2014","4","21","10894","","10.1039/c3ra47725h","","","0.71073","MoKα","","0.1945","0.0546","","","0.0657","0.0842","","","","","","0.84","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235336","10.26","0.003","5.82","0.002","14.06","0.004","90","","98.37","0.03","90","","830.6","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C36 H42 N2 O8 -","2","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Volochnyuk, Dmitriy M.; Shishkina, Svitlana V.; Shishkin, Oleg V.; Komarov, Igor V.","Conformationally restricted glutamic acid analogues: stereoisomers of 1-aminospiro[3.3]heptane-1,6-dicarboxylic acid","RSC Advances","2014","4","21","10894","","10.1039/c3ra47725h","","","0.71073","MoKα","","0.3881","0.0664","","","0.0943","0.159","","","","","","0.696","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235337","9.279","0.0017","17.285","0.003","13.653","0.002","90","","106.45","0.003","90","","2100.1","0.6","188","2","188","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O3 -","- C24 H26 N2 O3 -","- C96 H104 N8 O12 -","4","1","","Yu, Tianzhi; Shi, Yanlong; Chai, Haifang; Niu, Lixia; Liu, Peng; Zhao, Yuling; Kang, Jundan; Gao, Bin; Zhang, Hui","Synthesis, characterization, and photo- and electro-luminescence of Ir(iii) complexes containing carrier transporting group-substituted β-diketonate ligand","RSC Advances","2014","4","23","11680","","10.1039/c3ra47746k","","","0.71073","MoKα","","0.187","0.0981","","","0.2287","0.2775","","","","","","1.034","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235338","10.6924","0.0014","13.0351","0.0017","14.5733","0.0019","100.978","0.002","90.8674","0.0019","108.058","0.002","1889.8","0.4","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C56 H0 -","- C56 H36 -","- C112 H72 -","2","1","","Wang, Hua; Liang, Yan; Wang, Yike; Xie, Huanling; Feng, Linglong; Lu, Haifeng; Feng, Shengyu","The strategy to improve thermal and optical properties of diphenylfluoranthene based on silicon-cored derivatives","RSC Advances","2014","4","33","17171","","10.1039/c3ra47751g","","","0.71073","MoKα","","0.0585","0.0411","","","0.1015","0.113","","","","","","1.027","","","","has coordinates","232702","2020-10-21","18:00:00",""
"7235339","14.38","0.005","24.74","0.009","11.665","0.005","90","","98.271","0.007","90","","4107","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H N O Si -","- C6.27027 H4.32432 Si0.108108 -","- C232 H160 Si4 -","37","9.25","","Wang, Hua; Liang, Yan; Wang, Yike; Xie, Huanling; Feng, Linglong; Lu, Haifeng; Feng, Shengyu","The strategy to improve thermal and optical properties of diphenylfluoranthene based on silicon-cored derivatives","RSC Advances","2014","4","33","17171","","10.1039/c3ra47751g","","","0.71073","MoKα","","0.1574","0.0664","","","0.161","0.2085","","","","","","0.95","","","","has coordinates","232702","2020-10-21","18:00:00",""
"7235340","19.087","0.003","11.7074","0.0016","26.646","0.003","90","","124.459","0.007","90","","4909.5","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H0 Cl Si -","- C64 H44 Cl2 Si -","- C256 H176 Cl8 Si4 -","4","1","","Wang, Hua; Liang, Yan; Wang, Yike; Xie, Huanling; Feng, Linglong; Lu, Haifeng; Feng, Shengyu","The strategy to improve thermal and optical properties of diphenylfluoranthene based on silicon-cored derivatives","RSC Advances","2014","4","33","17171","","10.1039/c3ra47751g","","","0.71073","MoKα","","0.1655","0.0732","","","0.1985","0.2593","","","","","","0.959","","","","has coordinates","232702","2020-10-21","18:00:00",""
"7235341","10.7328","0.0018","14.526","0.002","16.453","0.003","89.774","0.003","76.306","0.003","79.437","0.002","2447.9","0.7","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C H Si -","- C2.47273 H1.6 Si0.0363636 -","- C136 H88 Si2 -","55","27.5","","Wang, Hua; Liang, Yan; Wang, Yike; Xie, Huanling; Feng, Linglong; Lu, Haifeng; Feng, Shengyu","The strategy to improve thermal and optical properties of diphenylfluoranthene based on silicon-cored derivatives","RSC Advances","2014","4","33","17171","","10.1039/c3ra47751g","","","0.71073","MoKα","","0.0936","0.0531","","","0.1442","0.1752","","","","","","1.007","","","","has coordinates","232702","2020-10-21","18:00:00",""
"7235342","9.4209","0.0006","18.641","0.0012","9.7949","0.0006","90","","112.634","0.001","90","","1587.65","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Li, Bao-Le; Hu, Hai-Chuan; Mo, Li-Ping; Zhang, Zhan-Hui","Nano CoFe2O4 supported antimony(iii) as an efficient and recyclable catalyst for one-pot three-component synthesis of multisubstituted pyrroles","RSC Adv.","2014","4","25","12929","","10.1039/C3RA47855F","","","0.71073","MoKα","","0.0473","0.0414","","","0.116","0.1215","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235343","14.0976","0.0012","10.017","0.0007","14.9301","0.0013","90","","116.746","0.011","90","","1882.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl2 N2 -","- C22 H18 Cl2 N2 -","- C88 H72 Cl8 N8 -","4","1","","Jamatia, Ramen; Saha, Mithu; Pal, Amarta Kumar","An efficient facile and one-pot synthesis of benzodiazepines and chemoselective 1,2-disubstituted benzimidazoles using a magnetically retrievable Fe3O4 nanocatalyst under solvent free conditions","RSC Adv.","2014","4","25","12826","","10.1039/C3RA47860B","","","0.71073","MoKα","","0.0979","0.0548","","","0.1174","0.1375","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235344","21.243","0.005","5.558","0.005","13.288","0.005","90","0.005","107.615","0.005","90","0.005","1495.3","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-fluoro-1-(((4-methoxyphenyl)thio)methyl)indoline-2,3-dione","","- C16 H12 F N O3 S -","- C16 H12 F N O3 S -","- C64 H48 F4 N4 O12 S4 -","4","1","","Mudududdla, Ramesh; Sharma, Rohit; Guru, Santosh K.; Kushwaha, Manoj; Gupta, Ajai P.; Bharate, Sonali S.; Aravinda, Subrayashastry; Kant, Rajni; Bhushan, Shashi; Vishwakarma, Ram A.; Bharate, Sandip B.","Trifluoroacetic acid catalyzed thiophenylmethylation and thioalkylmethylation of lactams and phenols via domino three-component reaction in water","RSC Adv.","2014","4","27","14081","","10.1039/C3RA47874B","","","0.71073","MoKα","","0.1318","0.0518","","","0.0584","0.078","","","","","","0.92","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235345","13.716","0.005","8.084","0.005","15.868","0.005","90","0.005","100.602","0.005","90","0.005","1729.4","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Chen, Qi-yu; Kong, Lin; Tian, Yu-peng; Xu, Xian-yun; Yang, Long-Mei; Zhang, Gao-bin; Jia, Wen-bin; Yang, Jia-xiang","The self-aggregation of fluorophore-triphenylamine nanostructures with tunable luminescent properties: the effect of acidity and rare earth ions","RSC Adv.","2014","4","36","18981","","10.1039/C3RA47893A","","","0.71069","MoKα","","0.0549","0.0409","","","0.1329","0.1497","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235346","9.1945","0.0006","8.2633","0.0005","9.9539","0.0006","90","","107.528","0.002","90","","721.15","0.08","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N4 O2 -","- C16 H16 N4 O2 -","- C32 H32 N8 O4 -","2","0.5","","Tripathy, Debakanta; Sahoo, Himansu S.; Ramkumar, Venkatachalam; Chand, Dillip Kumar","Palladium(ii) induced complete conformational enrichment of the syn isomer of N,N′-bis(4-pyridylformyl)piperazine","RSC Advances","2014","4","36","18595","","10.1039/c3ra47904h","","","0.71073","MoKα","","0.0466","0.0367","","","0.1259","0.1378","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235347","18.8926","0.0006","17.6085","0.0006","17.0599","0.0006","90","","90","","90","","5675.3","0.3","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C36 H48 Cl4 N12 O23 Pd2 -","- C36 H48 Cl4 N12 O23 Pd2 -","- C144 H192 Cl16 N48 O92 Pd8 -","4","0.5","","Tripathy, Debakanta; Sahoo, Himansu S.; Ramkumar, Venkatachalam; Chand, Dillip Kumar","Palladium(ii) induced complete conformational enrichment of the syn isomer of N,N′-bis(4-pyridylformyl)piperazine","RSC Advances","2014","4","36","18595","","10.1039/c3ra47904h","","","0.71073","MoKα","","0.0465","0.0405","","","0.1244","0.1341","","","","","","1.122","","","","has coordinates","232710","2020-10-21","18:00:00",""
"7235348","9.171","0.001","12.808","0.001","16.593","0.002","90","","98.81","0.01","90","","1926.1","0.4","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-(4-(4-phenyl-1H-1,2,3-triazol-1-yl)phnyl)-9H-carbazole","","- C26 H18 N4 -","- C26 H18 N4 -","- C104 H72 N16 -","4","1","","Hörner, Anna; Volz, Daniel; Hagendorn, Tobias; Fürniss, Daniel; Greb, Lutz; Rönicke, Franziska; Nieger, Martin; Schepers, Ute; Bräse, Stefan","Switchable fluorescence by click reaction of a novel azidocarbazole dye","RSC Adv.","2014","4","23","11528","","10.1039/C3RA47964A","","","0.71073","MoKα","","0.086","0.0497","","","0.0987","0.113","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235349","16.967","0.001","9.805","0.001","22.225","0.002","90","","90","","90","","3697.4","0.5","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(1-(4-(9H-carbazol-9-yl)phenyl)-1H-1,2,3-triazol-4-yl)propan-2-ol","","- C23 H20 N4 O -","- C23 H20 N4 O -","- C184 H160 N32 O8 -","8","1","","Hörner, Anna; Volz, Daniel; Hagendorn, Tobias; Fürniss, Daniel; Greb, Lutz; Rönicke, Franziska; Nieger, Martin; Schepers, Ute; Bräse, Stefan","Switchable fluorescence by click reaction of a novel azidocarbazole dye","RSC Adv.","2014","4","23","11528","","10.1039/C3RA47964A","","","0.71073","MoKα","","0.0872","0.0537","","","0.1082","0.1221","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235350","5.8525","0.0014","7.4196","0.0018","45.092","0.01","90","","90","","90","","1958","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Cl Fe O4 -","- C22 H19 Cl Fe O4 -","- C88 H76 Cl4 Fe4 O16 -","4","1","","Chen, Shufeng; Du, Yan; Zhao, Haiying; Li, Baoguo","Rh2(OAc)4-catalyzed 2,3-migration of β-ferrocenecarboxyl α-diazocarbonyl compounds: an efficient synthesis of ferrocene-containing α,β-unsaturated esters","RSC Advances","2014","4","24","12482","","10.1039/c3ra48071b","","","0.71073","MoKα","","0.0468","0.0422","","","0.0806","0.0813","","","","","","1.935","","","","has coordinates","232713","2020-10-21","18:00:00",""
"7235432","6.7804","0.0001","16.5729","0.0004","17.5034","0.0004","90","","92.688","0.002","90","","1964.71","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 N7 O3 Re -","- C21 H12 N7 O3 Re -","- C84 H48 N28 O12 Re4 -","4","1","","Bader, Christie A.; Brooks, Robert D.; Ng, Yeap S.; Sorvina, Alexandra; Werrett, Melissa V.; Wright, Phillip J.; Anwer, Ayad G.; Brooks, Douglas A.; Stagni, Stefano; Muzzioli, Sara; Silberstein, Morry; Skelton, Brian W.; Goldys, Ewa M.; Plush, Sally E.; Shandala, Tetyana; Massi, Massimiliano","Modulation of the organelle specificity in Re(i) tetrazolato complexes leads to labeling of lipid droplets","RSC Adv.","2014","4","31","16345","","10.1039/C4RA00050A","","","0.71073","MoKα","","0.0602","0.0277","","","0.0397","0.0422","","","","","","0.794","","","","has coordinates,has disorder","233027","2020-10-21","18:00:00",""
"7235433","5.0423","0.0004","33.7458","0.0018","7.9966","0.0004","90","","100.002","0.005","90","","1339.99","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N2 O6 -","- C34 H30 N2 O6 -","- C68 H60 N4 O12 -","2","0.5","","Rybakiewicz, Renata; Tszydel, Izabela; Zapala, Joanna; Skorka, Lukasz; Wamil, Damian; Djurado, David; Pécaut, Jacques; Ulanski, Jacek; Zagorska, Malgorzata; Pron, Adam","New semiconducting naphthalene bisimides N-substituted with alkoxyphenyl groups: spectroscopic, electrochemical, structural and electrical properties","RSC Adv.","2014","4","27","14089","","10.1039/C4RA00052H","","","0.71073","MoKα","","0.1826","0.0784","","","0.1054","0.1419","","","","","","0.983","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235434","8.4404","0.0013","8.8932","0.0014","24.019","0.003","89.09","0.011","80.49","0.011","62.786","0.016","1577.6","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N2 O6 -","- C38 H38 N2 O6 -","- C76 H76 N4 O12 -","2","1","","Rybakiewicz, Renata; Tszydel, Izabela; Zapala, Joanna; Skorka, Lukasz; Wamil, Damian; Djurado, David; Pécaut, Jacques; Ulanski, Jacek; Zagorska, Malgorzata; Pron, Adam","New semiconducting naphthalene bisimides N-substituted with alkoxyphenyl groups: spectroscopic, electrochemical, structural and electrical properties","RSC Adv.","2014","4","27","14089","","10.1039/C4RA00052H","","","0.71073","MoKα","","0.1529","0.0818","","","0.1255","0.1538","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235435","5.2267","0.0005","7.617","0.0005","22.3732","0.0018","96.434","0.006","95.114","0.007","100.318","0.007","865.34","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","1","0.5","","Rybakiewicz, Renata; Tszydel, Izabela; Zapala, Joanna; Skorka, Lukasz; Wamil, Damian; Djurado, David; Pécaut, Jacques; Ulanski, Jacek; Zagorska, Malgorzata; Pron, Adam","New semiconducting naphthalene bisimides N-substituted with alkoxyphenyl groups: spectroscopic, electrochemical, structural and electrical properties","RSC Adv.","2014","4","27","14089","","10.1039/C4RA00052H","","","0.71073","MoKα","","0.1763","0.079","","","0.1207","0.1554","","","","","","1.014","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235436","9.9298","0.0004","11.196","0.0005","12.2592","0.0005","90.62","0.001","92.718","0.001","105.508","0.001","1311.42","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cl2 Hg N3 O3 -","- C21 H21 Cl2 Hg N3 O3 -","- C42 H42 Cl4 Hg2 N6 O6 -","2","1","","Zhong, Keli; Zhou, Xue; Hou, Ruibin; Zhou, Pei; Hou, Shuhua; Bian, Yanjiang; Zhang, Gang; Tang, Lijun; Shang, Xiaohong","A water-soluble highly sensitive and selective fluorescent sensor for Hg2+ based on 2-(2-(8-hydroxyquinolin)-yl)benzimidazole via ligand-to-metal charge transfer (LMCT)","RSC Advances","2014","4","32","16612","","10.1039/c4ra00060a","","","0.71073","MoKα","","0.0285","0.0263","","","0.0712","0.0731","","","","","","1.008","","","","has coordinates","233031","2020-10-21","18:00:00",""
"7235437","15.625","0.004","9.194","0.002","27.403","0.007","90","","90","","90","","3936.6","1.7","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H21 N3 O3 -","- C21 H21 N3 O3 -","- C168 H168 N24 O24 -","8","1","","Zhong, Keli; Zhou, Xue; Hou, Ruibin; Zhou, Pei; Hou, Shuhua; Bian, Yanjiang; Zhang, Gang; Tang, Lijun; Shang, Xiaohong","A water-soluble highly sensitive and selective fluorescent sensor for Hg2+ based on 2-(2-(8-hydroxyquinolin)-yl)benzimidazole via ligand-to-metal charge transfer (LMCT)","RSC Advances","2014","4","32","16612","","10.1039/c4ra00060a","","","0.71073","MoKα","","0.1095","0.089","","","0.2647","0.2867","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235438","5.339","0.0011","7.4715","0.0016","28.443","0.006","85.669","0.015","89.406","0.016","76.688","0.015","1100.9","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H80 N2 O4 -","- C48 H80 N2 O4 -","- C48 H80 N2 O4 -","1","0.5","","Murray, Niamh S.; Rudd, Jennifer A.; Chamayou, Anne-Christine; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Assembling model tris(bipyridine)ruthenium(ii) photosensitizers into ordered monolayers in the presence of the polyoxometallate anion [Co4(H2O)2(α-PW9O34)2]10−","RSC Adv.","2014","4","23","11766","","10.1039/C4RA00085D","","","1.54178","CuKα","","0.1626","0.074","","","0.2239","0.2562","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235439","4.9987","0.0011","5.3505","0.001","41.561","0.008","92.041","0.007","92.798","0.007","90.983","0.007","1109.3","0.4","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H80 N2 O4 -","- C48 H80 N2 O4 -","- C48 H80 N2 O4 -","1","0.5","","Murray, Niamh S.; Rudd, Jennifer A.; Chamayou, Anne-Christine; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Assembling model tris(bipyridine)ruthenium(ii) photosensitizers into ordered monolayers in the presence of the polyoxometallate anion [Co4(H2O)2(α-PW9O34)2]10−","RSC Adv.","2014","4","23","11766","","10.1039/C4RA00085D","","","0.71073","MoKα","","0.1856","0.1325","","0.13","0.0982","0.095","","","","","","0.9591","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235440","7.503","0.006","8.497","0.006","12.678","0.01","91.01","0.04","92.57","0.03","99.07","0.04","797.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Cl N2 O4 -","- C16 H17 Cl N2 O4 -","- C32 H34 Cl2 N4 O8 -","2","1","","Kalita, Subarna Jyoti; Mecadon, Hormi; Deka, Dibakar C.","FeCl3·6H2O catalyzed aqueous media domino synthesis of 5-monoalkylbarbiturates: water as both reactant and solvent","RSC Adv.","2014","4","20","10402","","10.1039/C4RA00093E","","","0.71073","MoKα","","0.0805","0.0561","","","0.1874","0.2291","","","","","","0.799","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235441","7.1542","0.001","10.7836","0.0015","13.6937","0.0016","100.555","0.01","102.81","0.011","96.767","0.011","998.8","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H17 N O6 S -","- C22 H17 N O6 S -","- C44 H34 N2 O12 S2 -","2","2","","Verma, Girijesh Kumar; Shukla, Gaurav; Nagaraju, Anugula; Srivastava, Abhijeet; Raghuvanshi, Keshav; Singh, Maya Shankar","DMAP-promoted domino annulation of β-ketothioamides with internal alkynes: a highly regioselective access to functionalized 1,3-thiazolidin-4-ones at room temperature","RSC Adv.","2014","4","23","11640","","10.1039/C4RA00131A","","","0.71073","MoKα","","0.0851","0.0403","","","0.1077","0.1788","","","","","","0.97","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235442","5.2501","0.0003","12.3403","0.0006","25.2776","0.0016","90","","91.844","0.006","90","","1636.83","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O4 S2 -","- C16 H17 N O4 S2 -","- C64 H68 N4 O16 S8 -","4","1","","Verma, Girijesh Kumar; Shukla, Gaurav; Nagaraju, Anugula; Srivastava, Abhijeet; Raghuvanshi, Keshav; Singh, Maya Shankar","DMAP-promoted domino annulation of β-ketothioamides with internal alkynes: a highly regioselective access to functionalized 1,3-thiazolidin-4-ones at room temperature","RSC Adv.","2014","4","23","11640","","10.1039/C4RA00131A","","","0.71073","MoKα","","0.0717","0.048","","","0.1096","0.1255","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235443","16.104","0.006","6.924","0.003","22.877","0.007","90","","117.522","0.019","90","","2262.2","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O5 -","- C26 H25 N O5 -","- C104 H100 N4 O20 -","4","1","","Goutham, Kommuru; Nagaraju, Vemu; Suresh, Surisetti; Raghavaiah, Pallepogu; Karunakar, Galla V.","Reaction of N-propargylic β-enaminones with acetylene dicarboxylates: catalyst-free synthesis of 3-azabicyclo[4.1.0]hepta-2,4-dienes","RSC Adv.","2014","4","40","21054","","10.1039/C4RA00136B","","","0.71073","MoKα","","0.0668","0.0552","","","0.1616","0.1718","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235444","11.41","0.03","11.09","0.03","14.77","0.04","90","","92.95","0.04","90","","1866","9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N2 O6 V -","- C19 H17 N2 O6 V -","- C76 H68 N8 O24 V4 -","4","1","","Patra, Debashis; Biswas, Nirmalendu; Mondal, Bipul; Mitra, Partha; Drew, Michael G. B.; Ghosh, Tapas","Electronic effects of para substituents of 2-hydroxybenzaldehyde co-ligands in a family of hydrazonato-oxidovanadium(v) complexes","RSC Advances","2014","4","42","22022","","10.1039/c4ra00139g","","","0.71073","MoKα","","0.0736","0.0466","","","0.124","0.1469","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235445","13.105","0.007","8.486","0.004","19.71","0.01","90","","93.973","0.015","90","","2186.7","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N2 O6 V -","- C24 H19 N2 O6 V -","- C96 H76 N8 O24 V4 -","4","1","","Patra, Debashis; Biswas, Nirmalendu; Mondal, Bipul; Mitra, Partha; Drew, Michael G. B.; Ghosh, Tapas","Electronic effects of para substituents of 2-hydroxybenzaldehyde co-ligands in a family of hydrazonato-oxidovanadium(v) complexes","RSC Advances","2014","4","42","22022","","10.1039/c4ra00139g","","","0.71073","MoKα","","0.1101","0.056","","","0.1218","0.1489","","","","","","0.995","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235446","18.5154","0.0018","9.8382","0.0009","19.301","0.002","90","","90","","90","","3515.8","0.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C36 H34 N4 O10 V2 -","- C36 H34 N4 O10 V2 -","- C144 H136 N16 O40 V8 -","4","1","","Patra, Debashis; Biswas, Nirmalendu; Mondal, Bipul; Mitra, Partha; Drew, Michael G. B.; Ghosh, Tapas","Electronic effects of para substituents of 2-hydroxybenzaldehyde co-ligands in a family of hydrazonato-oxidovanadium(v) complexes","RSC Advances","2014","4","42","22022","","10.1039/c4ra00139g","","","0.71073","MoKα","","0.0353","0.0286","","","0.0655","0.0686","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235447","11.8887","0.0009","13.9072","0.0011","18.0799","0.0014","108.122","0.007","93.759","0.006","90.318","0.006","2833.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.5 H24.5 Cl1.5 N4 O9 V2 -","- C24.5 H24.5 Cl1.5 N4 O9 V2 -","- C98 H98 Cl6 N16 O36 V8 -","4","2","","Patra, Debashis; Biswas, Nirmalendu; Mondal, Bipul; Mitra, Partha; Drew, Michael G. B.; Ghosh, Tapas","Electronic effects of para substituents of 2-hydroxybenzaldehyde co-ligands in a family of hydrazonato-oxidovanadium(v) complexes","RSC Advances","2014","4","42","22022","","10.1039/c4ra00139g","","","0.71073","MoKα","","0.1763","0.0924","","","0.1376","0.1696","","","","","","0.986","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235448","9.513","0.002","12.852","0.003","13.247","0.003","100.8","0.02","100.66","0.02","102.393","0.018","1510.4","0.6","120","2","120","2","","","101","","","","","4","P -1","-P 1","2","1,6-bis(diphenyltellurophosphoryl)hexane","1,6-bis(diphenyltellurophosphoryl)hexane","","- C30 H32 P2 Te2 -","- C30 H32 P2 Te2 -","- C60 H64 P4 Te4 -","2","1","","Jeremias, Lukáš; Babiak, Michal; Kubát, Václav; Calhorda, Maria José; Trávníček, Zdeněk; Novosad, Josef","Successful oxidation of Ph2P(CH2)nPPh2 (n = 2, 4, 6) by tellurium leading to Ph2P(Te)(CH2)nP(Te)Ph2","RSC Advances","2014","4","30","15428","","10.1039/c4ra00157e","","x-ray","0.71073","MoKα","","0.0486","0.0361","","","0.0911","0.0937","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235449","9.0157","0.0004","14.291","0.0007","9.7134","0.0004","90","","100.562","0.004","90","","1230.3","0.1","120","2","120","2","","","101","","","","","4","P 1 21 1","P 2yb","4","1-(diphenyltellurophosphoryl)-4-(diphenylphosphino)butane","1-(diphenyltellurophosphoryl)-4-(diphenylphosphino)butane","","- C28 H28 P2 Te -","- C28 H28 P2 Te -","- C56 H56 P4 Te2 -","2","1","","Jeremias, Lukáš; Babiak, Michal; Kubát, Václav; Calhorda, Maria José; Trávníček, Zdeněk; Novosad, Josef","Successful oxidation of Ph2P(CH2)nPPh2 (n = 2, 4, 6) by tellurium leading to Ph2P(Te)(CH2)nP(Te)Ph2","RSC Advances","2014","4","30","15428","","10.1039/c4ra00157e","","x-ray","0.71073","MoKα","","0.0259","0.024","","","0.0562","0.0569","","","","","","1.03","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235450","17.383","0.004","9.831","0.003","14.5721","0.0009","90","","99.732","0.012","90","","2454.4","1","120","2","120","2","","","101","","","","","4","C 1 2/c 1","-C 2yc","15","1,2-bis(diphenyltellurophosphoryl)ethane","1,2-bis(diphenyltellurophosphoryl)ethane","","- C26 H24 P2 Te2 -","- C26 H24 P2 Te2 -","- C104 H96 P8 Te8 -","4","0.5","","Jeremias, Lukáš; Babiak, Michal; Kubát, Václav; Calhorda, Maria José; Trávníček, Zdeněk; Novosad, Josef","Successful oxidation of Ph2P(CH2)nPPh2 (n = 2, 4, 6) by tellurium leading to Ph2P(Te)(CH2)nP(Te)Ph2","RSC Advances","2014","4","30","15428","","10.1039/c4ra00157e","","x-ray","0.71073","MoKα","","0.0244","0.0172","","","0.0372","0.0378","","","","","","0.955","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235451","11.0364","0.0011","11.3292","0.0008","15.9216","0.0016","90","","103.696","0.009","90","","1934.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 O4 Zn -","- C22 H20 N2 O4 Zn -","- C88 H80 N8 O16 Zn4 -","4","1","","Xu, Bo; Liang, Qing-Shan; Liu, Lian-Tao; Liu, Qi-Sheng; Li, Cun-Cheng","Structures and properties of four coordination polymers constructed from 1,3-bis-(4-pyridyl)-propane and aromatic dicarboxylic acids","RSC Advances","2014","4","27","13919","","10.1039/c4ra00163j","","","0.71073","MoKα","","0.0866","0.0687","","","0.1803","0.1987","","","","","","1.155","","","","has coordinates","233044","2020-10-21","18:00:00",""
"7235452","8.9484","0.0006","10.1378","0.0006","11.8315","0.0006","68.413","0.005","84.359","0.005","78.184","0.005","976.58","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Co N2 O4 -","- C22 H20 Co N2 O4 -","- C44 H40 Co2 N4 O8 -","2","1","","Xu, Bo; Liang, Qing-Shan; Liu, Lian-Tao; Liu, Qi-Sheng; Li, Cun-Cheng","Structures and properties of four coordination polymers constructed from 1,3-bis-(4-pyridyl)-propane and aromatic dicarboxylic acids","RSC Advances","2014","4","27","13919","","10.1039/c4ra00163j","","","0.71073","MoKα","","0.0479","0.0386","","","0.0955","0.1024","","","","","","1.07","","","","has coordinates","233044","2020-10-21","18:00:00",""
"7235453","9.5955","0.0003","14.7243","0.0014","14.8584","0.0014","67.778","0.009","85.961","0.005","85.587","0.005","1935.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 N6 O12 Zn2 -","- C42 H34 N6 O12 Zn2 -","- C84 H68 N12 O24 Zn4 -","2","1","","Xu, Bo; Liang, Qing-Shan; Liu, Lian-Tao; Liu, Qi-Sheng; Li, Cun-Cheng","Structures and properties of four coordination polymers constructed from 1,3-bis-(4-pyridyl)-propane and aromatic dicarboxylic acids","RSC Advances","2014","4","27","13919","","10.1039/c4ra00163j","","","0.71073","MoKα","","0.1085","0.0917","","","0.2294","0.2519","","","","","","1.039","","","","has coordinates","233044","2020-10-21","18:00:00",""
"7235454","14.4137","0.0015","18.2182","0.0015","16.621","0.0016","90","","102.434","0.011","90","","4262.2","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Co N3 O7 -","- C21 H19 Co N3 O7 -","- C168 H152 Co8 N24 O56 -","8","1","","Xu, Bo; Liang, Qing-Shan; Liu, Lian-Tao; Liu, Qi-Sheng; Li, Cun-Cheng","Structures and properties of four coordination polymers constructed from 1,3-bis-(4-pyridyl)-propane and aromatic dicarboxylic acids","RSC Advances","2014","4","27","13919","","10.1039/c4ra00163j","","","0.71073","MoKα","","0.194","0.0767","","","0.1295","0.1771","","","","","","0.952","","","","has coordinates","233044","2020-10-21","18:00:00",""
"7235455","14.8017","0.001","13.8173","0.0009","17.9104","0.0012","90","","90","","90","","3663","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","'4N-((7-hydroxy-2-oxo-4-(trifluoromethyl)-2H-chromen-8-yl) (4-methoxyphenyl)methyl)acetamide'","","- C20 H16 F3 N O5 -","- C20 H16 F3 N O5 -","- C160 H128 F24 N8 O40 -","8","1","","Emmadi, Narender Reddy; Atmakur, Krishnaiah; Chennapuram, Madhu; Nanubolu, Jagadeesh Babu","Synthesis of amidoalkyl chromen-2-ones by one pot three component reaction under solvent free conditions","RSC Advances","2014","4","28","14501","","10.1039/c4ra00166d","","","0.71073","MoKα","","0.038","0.0337","","","0.0914","0.0959","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235456","13.3903","0.0005","15.7017","0.0006","19.7441","0.0007","69.349","0.003","89.497","0.003","65.072","0.004","3474.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H96 N2 O8 Zr2 -","- C70 H96 N2 O8 Zr2 -","- C140 H192 N4 O16 Zr4 -","2","1","","Tsai, Chen-Yen; Du, Hong-Cyuan; Chang, Jen-Chieh; Huang, Bor-Hunn; Ko, Bao-Tsan; Lin, Chu-Chieh","Ring-opening polymerization of cyclic esters initiated by zirconium, titanium and yttrium complexes","RSC Advances","2014","4","28","14527","","10.1039/c4ra00201f","","","0.71073","MoKα","","0.0531","0.0386","","","0.0867","0.094","","","","","","1.038","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235457","12.6426","0.0007","14.7525","0.0009","22.5448","0.0013","90","","90.487","0.005","90","","4204.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H50 N6 O4 Zr -","- C45 H50 N6 O4 Zr -","- C180 H200 N24 O16 Zr4 -","4","1","","Tsai, Chen-Yen; Du, Hong-Cyuan; Chang, Jen-Chieh; Huang, Bor-Hunn; Ko, Bao-Tsan; Lin, Chu-Chieh","Ring-opening polymerization of cyclic esters initiated by zirconium, titanium and yttrium complexes","RSC Advances","2014","4","28","14527","","10.1039/c4ra00201f","","","0.71073","MoKα","","0.1089","0.0803","","","0.307","0.3388","","","","","","1.062","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235458","18.273","0.004","43.561","0.009","22.573","0.005","90","","103.17","0.03","90","","17495","7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H60 Cl4 Cu4 N16 O20 -","- C76 H60 Cl4 Cu4 N16 O20 -","- C608 H480 Cl32 Cu32 N128 O160 -","8","2","","Hall, Gregory S.; Emerson, Adrian J.; Turner, David R.","A non-platonic M4L4 complex constructed using heterotopic ligands","RSC Adv.","2014","4","22","11404","","10.1039/C4RA00241E","","","0.71073","synchrotron","","0.0864","0.0751","","","0.2061","0.2143","","","","","","1.032","","","","has coordinates,has disorder","233049","2020-10-21","18:00:00",""
"7235459","11.707","0.002","15.548","0.003","12.323","0.003","90","","115.34","0.03","90","","2027.2","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl2 Cu N8 O16 -","- C38 H36 Cl2 Cu N8 O16 -","- C76 H72 Cl4 Cu2 N16 O32 -","2","0.5","","Hall, Gregory S.; Emerson, Adrian J.; Turner, David R.","A non-platonic M4L4 complex constructed using heterotopic ligands","RSC Adv.","2014","4","22","11404","","10.1039/C4RA00241E","","","0.71073","synchrotron","","0.0783","0.0624","","","0.1828","0.1966","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235460","10.3849","0.0005","11.6302","0.0003","13.8223","0.0006","99.133","0.003","91.357","0.004","112.426","0.004","1517.11","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cd N6 O6 -","- C32 H28 Cd N6 O6 -","- C64 H56 Cd2 N12 O12 -","2","1","","Zhu, Xiaofei; Wang, Ning; Xie, Xiaoyan; Hou, Ruibin; Zhou, Defeng; Li, Yafeng; Hu, Jun; Li, Xinyuan; Liu, He; Nie, Wang","A series of interdigitated Cd(ii) coordination polymers based on 4,6-dibenzoylisophthalic acid and flexible triazole ligands","RSC Adv.","2014","4","30","15816","","10.1039/C4RA00246F","","","0.71073","MoKα","","0.0439","0.0375","","","0.0911","0.0954","","","","","","1.029","","","","has coordinates,has disorder","233051","2020-10-21","18:00:00",""
"7235461","10.43","0.005","20.209","0.008","16.88","0.007","90","","104.816","0.007","90","","3440","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cd N4 O6 -","- C38 H32 Cd N4 O6 -","- C152 H128 Cd4 N16 O24 -","4","1","","Zhu, Xiaofei; Wang, Ning; Xie, Xiaoyan; Hou, Ruibin; Zhou, Defeng; Li, Yafeng; Hu, Jun; Li, Xinyuan; Liu, He; Nie, Wang","A series of interdigitated Cd(ii) coordination polymers based on 4,6-dibenzoylisophthalic acid and flexible triazole ligands","RSC Adv.","2014","4","30","15816","","10.1039/C4RA00246F","","","0.71073","MoKα","","0.0753","0.0583","","","0.1382","0.1562","","","","","","1.183","","","","has coordinates","233051","2020-10-21","18:00:00",""
"7235462","15.402","0.005","10.522","0.003","20.877","0.005","90","","114.07","0.017","90","","3089.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cd N6 O6 -","- C34 H24 Cd N6 O6 -","- C136 H96 Cd4 N24 O24 -","4","1","","Zhu, Xiaofei; Wang, Ning; Xie, Xiaoyan; Hou, Ruibin; Zhou, Defeng; Li, Yafeng; Hu, Jun; Li, Xinyuan; Liu, He; Nie, Wang","A series of interdigitated Cd(ii) coordination polymers based on 4,6-dibenzoylisophthalic acid and flexible triazole ligands","RSC Adv.","2014","4","30","15816","","10.1039/C4RA00246F","","","0.71073","MoKα","","0.0949","0.0596","","","0.1498","0.1902","","","","","","1.068","","","","has coordinates","233051","2020-10-21","18:00:00",""
"7235463","15.5249","0.0009","5.5769","0.0003","18.7323","0.0011","90","","112.714","0.003","90","","1496.07","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 N6 O3 -","- C12 H20 N6 O3 -","- C48 H80 N24 O12 -","4","1","","Radhakrishnan, K.; Sharma, Namita; Kundu, Lal Mohan","Direct synthesis of 5- and 6-substituted 2-aminopyrimidines as potential non-natural nucleobase analogues","RSC Adv.","2014","4","29","15087","","10.1039/C4RA00249K","","","0.71073","MoKα","","0.0528","0.0405","","","0.1109","0.1209","","","","","","0.876","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235464","19.3425","0.0007","13.9961","0.0007","14.4876","0.0006","90","","103.855","0.003","90","","3808","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 N6 O3 -","- C16 H28 N6 O3 -","- C128 H224 N48 O24 -","8","1","","Radhakrishnan, K.; Sharma, Namita; Kundu, Lal Mohan","Direct synthesis of 5- and 6-substituted 2-aminopyrimidines as potential non-natural nucleobase analogues","RSC Adv.","2014","4","29","15087","","10.1039/C4RA00249K","","","0.71073","MoKα","","0.0512","0.0438","","","0.1038","0.1083","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235465","12.4798","0.0006","6.8611","0.0005","17.0339","0.001","90","","95.021","0.005","90","","1452.93","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N6 O2 -","- C14 H14 N6 O2 -","- C56 H56 N24 O8 -","4","1","","Radhakrishnan, K.; Sharma, Namita; Kundu, Lal Mohan","Direct synthesis of 5- and 6-substituted 2-aminopyrimidines as potential non-natural nucleobase analogues","RSC Adv.","2014","4","29","15087","","10.1039/C4RA00249K","","","0.71073","MoKα","","0.0678","0.0501","","","0.0856","0.0935","","","","","","1.096","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235466","7.326","0.004","7.814","0.004","12.7","0.007","75.28","0.006","84.078","0.006","88.663","0.006","699.4","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C32 H32 O8 -","2","1","","Fan, Xuesen; Shen, Nana; Li, Bin; Guo, Shenghai; Zhang, Xinying","Synthesis of 3-(4-oxo-4H-chromen-3-yl)acrylates through the tandem reaction of 3-(2-buta-2,3-dienoylphenoxy)acrylates","RSC Adv.","2014","4","29","15081","","10.1039/C4RA00277F","","","0.71073","MoKα","","0.0502","0.041","","","0.1115","0.1204","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235467","7.187","0.005","8.453","0.005","12.382","0.005","93.382","0.005","95.364","0.005","107.885","0.005","709.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 N4 O4 -","- C15 H12 N4 O4 -","- C30 H24 N8 O8 -","2","1","","Sen, Buddhadeb; Mukherjee, Manjira; Pal, Siddhartha; Mandal, Sushil Kumar; Hundal, Maninder S.; Khuda-Bukhsh, Anisur Rahman; Chattopadhyay, Pabitra","Development of a cell permeable ratiometric chemosensor and biomarker for hydrogen sulphate ions in aqueous solution","RSC Adv.","2014","4","30","15356","","10.1039/C4RA00291A","","","0.71073","MoKα","","0.0517","0.0421","","","0.1262","0.1392","","","","","","0.92","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235468","16.8394","0.001","14.6957","0.0009","15.2413","0.0009","90","","103.156","0.001","90","","3672.7","0.4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Br F3 N3 O2 -","- C16 H17 Br F3 N3 O2 -","- C128 H136 Br8 F24 N24 O16 -","8","2","","Leonard, Matthew J.; Lingham, Anthony R.; Niere, Julie O.; Jackson, Neale R. C.; McKay, Peter G.; Hügel, Helmut M.","Alternative synthesis of the anti-baldness compound RU58841","RSC Adv.","2014","4","27","14143","","10.1039/C4RA00332B","","","0.71073","MoKα","","0.0635","0.0416","","","0.1052","0.1097","","","","","","0.955","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235469","9.408","0.002","12.144","0.003","12.488","0.003","74.568","0.006","85.875","0.005","69.212","0.005","1285.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 F3 N3 O -","- C12 H12 F3 N3 O -","- C48 H48 F12 N12 O4 -","4","2","","Leonard, Matthew J.; Lingham, Anthony R.; Niere, Julie O.; Jackson, Neale R. C.; McKay, Peter G.; Hügel, Helmut M.","Alternative synthesis of the anti-baldness compound RU58841","RSC Adv.","2014","4","27","14143","","10.1039/C4RA00332B","","","0.71073","MoKα","","0.0473","0.0389","","","0.104","0.1081","","","","","","1.085","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235470","5.6717","0.0003","22.0719","0.0012","10.2761","0.0006","90","","103.28","0.001","90","","1252.02","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br F3 N2 O -","- C12 H10 Br F3 N2 O -","- C48 H40 Br4 F12 N8 O4 -","4","1","","Leonard, Matthew J.; Lingham, Anthony R.; Niere, Julie O.; Jackson, Neale R. C.; McKay, Peter G.; Hügel, Helmut M.","Alternative synthesis of the anti-baldness compound RU58841","RSC Adv.","2014","4","27","14143","","10.1039/C4RA00332B","","","0.71073","MoKα","","0.0492","0.0332","","","0.0752","0.0789","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235471","13.373","0.004","11.959","0.004","11.21","0.003","90","","106.965","0.005","90","","1714.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 F3 N4 O4 -","- C15 H17 F3 N4 O4 -","- C60 H68 F12 N16 O16 -","4","1","","Leonard, Matthew J.; Lingham, Anthony R.; Niere, Julie O.; Jackson, Neale R. C.; McKay, Peter G.; Hügel, Helmut M.","Alternative synthesis of the anti-baldness compound RU58841","RSC Adv.","2014","4","27","14143","","10.1039/C4RA00332B","","","0.71073","MoKα","","0.0584","0.042","","","0.0984","0.1086","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235472","24.513","0.002","42.263","0.004","4.1537","0.0003","90","","90","","90","","4303.2","0.6","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H8 N2 O3 Se -","- C10 H8 N2 O3 Se -","- C160 H128 N32 O48 Se16 -","16","1","","Balkrishna, Shah Jaimin; Hodage, Ananda S.; Kumar, Shailesh; Panini, Piyush; Kumar, Sangit","Sensitive and regenerable organochalcogen probes for the colorimetric detection of thiols","RSC Adv.","2014","4","23","11535","","10.1039/C4RA00381K","","","0.71073","MoKα","","0.0513","0.0325","","","0.0555","0.0594","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235473","4.3357","0.0003","21.5407","0.0016","11.2435","0.0009","90","","99.669","0.002","90","","1035.16","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O3 S -","- C10 H8 N2 O3 S -","- C40 H32 N8 O12 S4 -","4","1","","Balkrishna, Shah Jaimin; Hodage, Ananda S.; Kumar, Shailesh; Panini, Piyush; Kumar, Sangit","Sensitive and regenerable organochalcogen probes for the colorimetric detection of thiols","RSC Adv.","2014","4","23","11535","","10.1039/C4RA00381K","","","0.71073","MoKα","","0.0404","0.0326","","","0.0876","0.0935","","","","","","1.106","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235474","6.5803","0.0006","6.6436","0.0006","32.419","0.003","90","","90","","90","","1417.3","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N2 O3 Se -","- C15 H12 N2 O3 Se -","- C60 H48 N8 O12 Se4 -","4","1","","Balkrishna, Shah Jaimin; Hodage, Ananda S.; Kumar, Shailesh; Panini, Piyush; Kumar, Sangit","Sensitive and regenerable organochalcogen probes for the colorimetric detection of thiols","RSC Adv.","2014","4","23","11535","","10.1039/C4RA00381K","","","0.71073","MoKα","","0.0534","0.037","","","0.076","0.0802","","","","","","1.062","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235475","25.121","0.003","8.1738","0.0011","12.8146","0.0017","90","","90","","90","","2631.3","0.6","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14 H10 N2 O3 Se -","- C14 H10 N2 O3 Se -","- C112 H80 N16 O24 Se8 -","8","1","","Balkrishna, Shah Jaimin; Hodage, Ananda S.; Kumar, Shailesh; Panini, Piyush; Kumar, Sangit","Sensitive and regenerable organochalcogen probes for the colorimetric detection of thiols","RSC Adv.","2014","4","23","11535","","10.1039/C4RA00381K","","","0.71073","MoKα","","0.0797","0.0694","","","0.1959","0.2041","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235476","15.4268","0.0018","9.5663","0.0011","11.1965","0.0013","90","","105.977","0.001","90","","1588.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 N O -","- C16 H27 N O -","- C64 H108 N4 O4 -","4","1","","Kodama, Koichi; Hayashi, Naoki; Fujita, Mikidai; Hirose, Takuji","Direct enantioseparation of 1-(2-hydroxyphenyl) ethylamines via diastereomeric salt formation: chiral recognition mechanism based on the crystal structure","RSC Advances","2014","4","49","25609","","10.1039/c4ra00414k","","","0.71073","MoKα","","0.0828","0.0755","","","0.2066","0.2147","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235477","23.818","0.008","5.5862","0.0018","15.671","0.005","90","","113.803","0.004","90","","1907.7","1.1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H26 N O4.5 -","- C22 H26 N O4.5 -","- C88 H104 N4 O18 -","4","1","","Kodama, Koichi; Hayashi, Naoki; Fujita, Mikidai; Hirose, Takuji","Direct enantioseparation of 1-(2-hydroxyphenyl) ethylamines via diastereomeric salt formation: chiral recognition mechanism based on the crystal structure","RSC Advances","2014","4","49","25609","","10.1039/c4ra00414k","","","0.71073","MoKα","","0.0655","0.059","","","0.1577","0.1646","","","","","","1.072","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235478","16.749","0.004","8.124","0.002","17.552","0.004","90","","116.504","0.003","90","","2137.3","0.9","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H34 N2 O4 -","- C21 H33.5 N2 O4 -","- C84 H134 N8 O16 -","4","2","","Kodama, Koichi; Hayashi, Naoki; Fujita, Mikidai; Hirose, Takuji","Direct enantioseparation of 1-(2-hydroxyphenyl) ethylamines via diastereomeric salt formation: chiral recognition mechanism based on the crystal structure","RSC Advances","2014","4","49","25609","","10.1039/c4ra00414k","","","0.71073","MoKα","","0.1133","0.0814","","","0.2084","0.2435","","","","","","1.078","","","","has coordinates,has disorder","233063","2020-10-21","18:00:00",""
"7235479","29.287","0.005","7.6383","0.0012","18.538","0.004","90","","126.49","0.004","90","","3334","1.1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C34 H41 N O9 -","- C34 H41 N O9 -","- C136 H164 N4 O36 -","4","1","","Kodama, Koichi; Hayashi, Naoki; Fujita, Mikidai; Hirose, Takuji","Direct enantioseparation of 1-(2-hydroxyphenyl) ethylamines via diastereomeric salt formation: chiral recognition mechanism based on the crystal structure","RSC Advances","2014","4","49","25609","","10.1039/c4ra00414k","","","0.71073","MoKα","","0.0622","0.0495","","","0.1021","0.1075","","","","","","0.927","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235480","14.3664","0.0006","14.1501","0.0006","17.8928","0.0008","90","","112.334","0.005","90","","3364.5","0.3","293.1","0.7","293.1","0.7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17.25 Br N O3 -","- C20 H16 Br N O3 -","- C160 H128 Br8 N8 O24 -","8","2","","Yang, Jidong; Zhang, Qingzhao; Zhang, Wei; Yu, Wei","Synthesis of benzo[a]carbazoles and indolo[2,3-a]carbazoles via photoinduced carbene-mediated C‒H insertion reaction","RSC Adv.","2014","4","26","13704","","10.1039/C4RA00442F","","","0.7107","MoKα","","0.1232","0.0496","","","0.0756","0.0989","","","","","","0.977","","","","has coordinates","233065","2020-10-21","18:00:00",""
"7235481","16.904","0.002","9.0287","0.0012","24.322","0.003","90","","100.205","0.013","90","","3653.3","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C160 H120 N24 O8 -","8","4","","Yang, Jidong; Zhang, Qingzhao; Zhang, Wei; Yu, Wei","Synthesis of benzo[a]carbazoles and indolo[2,3-a]carbazoles via photoinduced carbene-mediated C–H insertion reaction","RSC Adv.","2014","4","26","13704","","10.1039/C4RA00442F","","","0.71073","MoKα","","0.24","0.1157","","","0.2734","0.3699","","","","","","0.947","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235482","6.6951","0.0009","7.9252","0.0011","29.888","0.004","90","","90","","90","","1585.9","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N O S -","- C16 H18 Cl N O S -","- C64 H72 Cl4 N4 O4 S4 -","4","1","","Li, Desheng; Li, Ya; Chen, Zhiqiu; Shang, Huaqi; Li, Hongsen; Ren, Xinfeng","Stereoselective synthesis of α-(dichloromethyl)-amines, α-(chloromethyl)amines, and α-chloro-aziridines","RSC Advances","2014","4","27","14254","","10.1039/c4ra00471j","","","0.71073","MoKα","","0.0306","0.0284","","","0.0704","0.0719","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235483","11.9005","0.0014","14.5727","0.0017","14.6539","0.0015","106.597","0.009","100.356","0.009","108.204","0.01","2210.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Diazaspiro","diazaspiro","","- C25 H26 N2 O4 -","- C25 H26 N2 O4 -","- C100 H104 N8 O16 -","4","2","","Aggarwal, Komal; Vij, Kanika; Khurana, Jitender M.","An efficient catalyst free synthesis of nitrogen containing spiro heterocycles via [5 + 1] double Michael addition reaction","RSC Advances","2014","4","26","13313","","10.1039/c4ra00521j","","","0.71073","MoKα","","0.0952","0.0557","","","0.1253","0.1454","","","","","","0.997","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235484","9.691","0.002","14.157","0.004","16.055","0.004","107.408","0.004","99.937","0.003","104.264","0.003","1963.4","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H80 N18 O21 S2 Zn3 -","- C64 H78 N18 O21 S2 Zn3 -","- C64 H78 N18 O21 S2 Zn3 -","1","0.5","","Li, Min; Peng, Yan-Fen; Zhao, Shan; Li, Bao-Long; Li, Hai-Yan","Syntheses, structures and properties of two zinc coordination polymers based on bis(triazole) and sulfoisophthalate","RSC Advances","2014","4","27","14241","","10.1039/c4ra00531g","","","0.7107","MoKα","","0.0759","0.0624","","","0.1736","0.1837","","","","","","1.098","","","","has coordinates","233069","2020-10-21","18:00:00",""
"7235485","9.8033","0.0017","12.462","0.002","13.8706","0.0014","65.881","0.014","74.327","0.016","86.14","0.02","1487.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H58 N12 O20 S2 Zn3 -","- C48 H54 N12 O20 S2 Zn3 -","- C48 H54 N12 O20 S2 Zn3 -","1","0.5","","Li, Min; Peng, Yan-Fen; Zhao, Shan; Li, Bao-Long; Li, Hai-Yan","Syntheses, structures and properties of two zinc coordination polymers based on bis(triazole) and sulfoisophthalate","RSC Advances","2014","4","27","14241","","10.1039/c4ra00531g","","","0.7107","MoKα","","0.1028","0.0679","","","0.1499","0.1701","","","","","","1.054","","","","has coordinates","233069","2020-10-21","18:00:00",""
"7235486","21.656","0.006","8.05","0.005","21.087","0.008","90","","117.959","0.008","90","","3247","3","293","","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C33 H38 Al N3 O7 -","- C33 H38 Al N3 O7 -","- C132 H152 Al4 N12 O28 -","4","1","","Simond, Damien; Clifford, Sarah E.; Vieira, Andreia F.; Besnard, Céline; Williams, Alan F.","An octahedral aluminium(iii) complex as a three-fold node for supramolecular heterometallic self-assemblies: solution and solid state chemistry","RSC Adv.","2014","4","32","16686","","10.1039/C4RA00575A","","","0.71073","MoKα","","0.0575","0.0469","","","0.1132","0.1214","","","","","","1.067","","","","has coordinates","233070","2020-10-21","18:00:00",""
"7235487","11.5825","0.0009","11.617","0.0007","16.3471","0.0013","76.488","0.007","75.077","0.007","81.263","0.006","2056.7","0.3","180","","180","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H38 Al Co N5 O7 S2 -","- C35 H38 Al Co N5 O7 S2 -","- C70 H76 Al2 Co2 N10 O14 S4 -","2","1","","Simond, Damien; Clifford, Sarah E.; Vieira, Andreia F.; Besnard, Céline; Williams, Alan F.","An octahedral aluminium(iii) complex as a three-fold node for supramolecular heterometallic self-assemblies: solution and solid state chemistry","RSC Adv.","2014","4","32","16686","","10.1039/C4RA00575A","","","1.5418","CuKα","","0.1233","0.0809","","","0.2123","0.2582","","","","","","1.033","","","","has coordinates","233070","2020-10-21","18:00:00",""
"7235488","6.65","0.003","8.898","0.004","13.97","0.006","92.24","0.02","98.98","0.02","111.168","0.019","757.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C32 H36 N4 O12 -","2","1","","Seijas, Julio A.; Crecente-Campo, José; Feás, Xesús; Vázquez-Tato, M. Pilar","Microwave assisted synthesis, crystal structure and modelling of cytotoxic dehydroacetic acid enamine: a natural alkaloid from Fusarium incarnatum (HKI0504)","RSC Adv.","2014","4","33","17054","","10.1039/C4RA00582A","","","0.71069","MoKα","","0.1713","0.0706","","","0.1431","0.1889","","","","","","0.997","","","","has coordinates","233072","2020-10-21","18:00:00",""
"7235489","15.095","0.003","5.7769","0.001","31.466","0.005","90","","90","","90","","2743.9","0.8","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H10 Br N S2 -","- C14 H10 Br N S2 -","- C112 H80 Br8 N8 S16 -","8","1","","Lin, Yuqing; Luo, Puying; Zheng, Qiang; Liu, Yumei; Sang, Xiaoyan; Ding, Qiuping","Efficient construction of C–S and C–N bonds via metal-free reductive coupling of N-tosylhydrazones with benzo[d]thiazole-2-thiol","RSC Adv.","2014","4","32","16855","","10.1039/C4RA00590B","","","0.71073","MoKα","","0.0978","0.0894","","","0.1886","0.1916","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235490","7.698","0.003","8.149","0.004","23.607","0.01","90","","92.03","0.008","90","","1480","1.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F N O S2 -","- C16 H14 F N O S2 -","- C64 H56 F4 N4 O4 S8 -","4","1","","Lin, Yuqing; Luo, Puying; Zheng, Qiang; Liu, Yumei; Sang, Xiaoyan; Ding, Qiuping","Efficient construction of C–S and C–N bonds via metal-free reductive coupling of N-tosylhydrazones with benzo[d]thiazole-2-thiol","RSC Adv.","2014","4","32","16855","","10.1039/C4RA00590B","","","0.71073","MoKα","","0.1202","0.114","","","0.2717","0.2753","","","","","","1.092","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235491","9.6004","0.0009","10.577","0.001","14.3427","0.0014","82.418","0.002","81.231","0.002","80.012","0.002","1409.2","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 Cl3 N6 Ni O2 -","- C31 H21 Cl3 N6 Ni O2 -","- C62 H42 Cl6 N12 Ni2 O4 -","2","1","","Goswami, Shyamaprosad; Chakraborty, Shampa; Das, Avijit Kumar; Manna, Abhishek; Bhattacharyya, Aditya; Quah, Ching Kheng; Fun, Hoong-Kun","Selective colorimetric and ratiometric probe for Ni(ii) in quinoxaline matrix with the single crystal X-ray structure","RSC Adv.","2014","4","40","20922","","10.1039/C4RA00594E","","","0.71073","MoKα","","0.0822","0.0756","","","0.1898","0.1973","","","","","","1.138","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235492","10.4843","0.0002","12.9226","0.0003","14.6707","0.0004","101.953","0.001","99.7473","0.001","99.329","0.001","1875.98","0.08","150","","150","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C37 H44 N6 O8 -","- C37 H44 N6 O8 -","- C74 H88 N12 O16 -","2","1","","White, Nicholas G.; Lovett, Henry G.; Beer, Paul D.","Bis-triazolium containing macrocycles, pseudorotaxanes and interlocked structures for anion recognition","RSC Advances","2014","4","24","12133","","10.1039/C4RA00615A","","","0.71073","MoKα","","0.0744","0.0621","","0.1922","0.1706","0.1889","","","","","","0.9917","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235493","9.7515","0.0002","65.1244","0.0016","10.1151","0.0003","90","","90","","90","","6423.7","0.3","150","","150","","","","","","","","synthesized","4","P n a 21","P 2c -2n","33","","","","- C62 H80 N12 O14 -","- C62 H80 N12 O14 -","- C248 H320 N48 O56 -","4","1","","White, Nicholas G.; Lovett, Henry G.; Beer, Paul D.","Bis-triazolium containing macrocycles, pseudorotaxanes and interlocked structures for anion recognition","RSC Advances","2014","4","24","12133","","10.1039/C4RA00615A","","","0.68889","synchrotron","","0.0799","0.0716","","0.1911","0.1855","0.1911","","","","","","0.9502","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235494","31.547","0.003","8.7265","0.0007","32.508","0.004","90","","106.017","0.013","90","","8601.9","1.6","150","","150","","","","","","","","synthesized","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H45.5 B2 F8 N6.5 O7 -","- C37 H45.5 B2 F8 N6.5 O7 -","- C296 H364 B16 F64 N52 O56 -","8","1","","White, Nicholas G.; Lovett, Henry G.; Beer, Paul D.","Bis-triazolium containing macrocycles, pseudorotaxanes and interlocked structures for anion recognition","RSC Advances","2014","4","24","12133","","10.1039/C4RA00615A","","","1.5418","CuKα","","0.1135","0.066","","0.1834","0.1457","0.1834","","","","","","0.8725","","","","has coordinates,has disorder","233076","2020-10-21","18:00:00",""
"7235495","32.984","0.003","7.9218","0.0009","31.212","0.003","90","","102.499","0.01","90","","7962.2","1.4","150","","150","","","","","","","","synthesized","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Cl2 N6 O7 -","- C36 H44 Cl2 N6 O7 -","- C288 H352 Cl16 N48 O56 -","8","1","","White, Nicholas G.; Lovett, Henry G.; Beer, Paul D.","Bis-triazolium containing macrocycles, pseudorotaxanes and interlocked structures for anion recognition","RSC Advances","2014","4","24","12133","","10.1039/C4RA00615A","","","1.54184","CuKα","","0.1278","0.0736","","0.222","0.1758","0.222","","","","","","0.9649","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235496","31.693","0.015","8.641","0.004","32.276","0.015","90","","105.48","0.005","90","","8518","7","150","","150","","","","","","","","synthesized","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H48.5 I2 N7.5 O7 -","- C39 H48.5 I2 N7.5 O7 -","- C312 H388 I16 N60 O56 -","8","1","","White, Nicholas G.; Lovett, Henry G.; Beer, Paul D.","Bis-triazolium containing macrocycles, pseudorotaxanes and interlocked structures for anion recognition","RSC Advances","2014","4","24","12133","","10.1039/C4RA00615A","","","0.68889","synchrotron","","0.0903","0.083","","0.1785","0.176","0.1785","","","","","","0.9071","","","","has coordinates","233076","2020-10-21","18:00:00",""
"7235497","9.297","0.01","12.385","0.011","18.544","0.016","71.43","0.03","83.52","0.03","83.86","0.04","2005","3","150","","150","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C37 H47.5 N12.5 O8 -","- C37 H47.5 N12.5 O8 -","- C74 H95 N25 O16 -","2","1","","White, Nicholas G.; Lovett, Henry G.; Beer, Paul D.","Bis-triazolium containing macrocycles, pseudorotaxanes and interlocked structures for anion recognition","RSC Advances","2014","4","24","12133","","10.1039/C4RA00615A","","","0.6889","synchrotron","","0.1618","0.1101","","0.2467","0.2158","0.2467","","","","","","0.9231","","","","has coordinates,has disorder","233076","2020-10-21","18:00:00",""
"7235498","10.3622","0.0005","13.2701","0.0007","14.1184","0.0008","103.541","0.003","97.069","0.003","103.083","0.002","1806.37","0.17","150","","150","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C34 H38 Cl3 N7 O7 -","- C34 H38 Cl3 N7 O7 -","- C68 H76 Cl6 N14 O14 -","2","1","","White, Nicholas G.; Lovett, Henry G.; Beer, Paul D.","Bis-triazolium containing macrocycles, pseudorotaxanes and interlocked structures for anion recognition","RSC Advances","2014","4","24","12133","","10.1039/C4RA00615A","","","0.71073","MoKα","","0.1332","0.0808","","0.2184","0.1773","0.2162","","","","","","0.9907","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235499","6.747","0.002","9.047","0.003","16.973","0.005","90","","90","","90","","1036","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H3 Cu N5 O6 -","- C7 H3 Cu N5 O6 -","- C28 H12 Cu4 N20 O24 -","4","1","","Liu, Xiangyu; Yang, Qi; Su, Zhiyong; Chen, Sanping; Xie, Gang; Wei, Qing; Gao, Shengli","3D high-energy-density and low sensitivity materials: synthesis, structure and physicochemical properties of an azide‒Cu(ii) complex with 3,5-dinitrobenzoic acid","RSC Adv.","2014","4","31","16087","","10.1039/C4RA00635F","","","0.71073","MoKα","","0.0777","0.0537","","","0.127","0.1408","","","","","","1","","","","has coordinates","233079","2020-10-21","18:00:00",""
"7235500","8.2815","0.0002","8.4808","0.0002","13.3432","0.0003","104.835","0.001","95.406","0.001","114.038","0.001","806.16","0.03","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 O6 -","- C17 H18 O6 -","- C34 H36 O12 -","2","1","","Sangsuwan, Rapeepat; Sangher, Sasithorn; Aree, Thammarat; Mahidol, Chulabhorn; Ruchirawat, Somsak; Kittakoop, Prasat","An organocatalyst from renewable materials for the synthesis of coumarins and chromenes: three-component reaction and multigram scale synthesis","RSC Adv.","2014","4","26","13708","","10.1039/C4RA00673A","","","0.71073","MoKα","","0.0698","0.0536","","","0.1568","0.1709","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235501","9.0528","0.0004","9.111","0.0004","11.997","0.0005","80.134","0.002","68.141","0.002","72.313","0.002","873.06","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O7 -","- C18 H20 O7 -","- C36 H40 O14 -","2","1","","Sangsuwan, Rapeepat; Sangher, Sasithorn; Aree, Thammarat; Mahidol, Chulabhorn; Ruchirawat, Somsak; Kittakoop, Prasat","An organocatalyst from renewable materials for the synthesis of coumarins and chromenes: three-component reaction and multigram scale synthesis","RSC Adv.","2014","4","26","13708","","10.1039/C4RA00673A","","","0.71073","MoKα","","0.0746","0.054","","","0.1559","0.177","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235502","8.5665","0.0003","9.1041","0.0003","12.5319","0.0004","77.751","0.002","74.492","0.002","66.84","0.002","859.55","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 Br O6 -","- C17 H17 Br O6 -","- C34 H34 Br2 O12 -","2","1","","Sangsuwan, Rapeepat; Sangher, Sasithorn; Aree, Thammarat; Mahidol, Chulabhorn; Ruchirawat, Somsak; Kittakoop, Prasat","An organocatalyst from renewable materials for the synthesis of coumarins and chromenes: three-component reaction and multigram scale synthesis","RSC Adv.","2014","4","26","13708","","10.1039/C4RA00673A","","","0.71073","MoKα","","0.0908","0.0433","","","0.1059","0.1233","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235503","8.4753","0.0003","9.1065","0.0003","12.4545","0.0004","78.551","0.002","75.245","0.002","66.078","0.002","844.75","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C34 H34 Cl2 O12 -","2","1","","Sangsuwan, Rapeepat; Sangher, Sasithorn; Aree, Thammarat; Mahidol, Chulabhorn; Ruchirawat, Somsak; Kittakoop, Prasat","An organocatalyst from renewable materials for the synthesis of coumarins and chromenes: three-component reaction and multigram scale synthesis","RSC Adv.","2014","4","26","13708","","10.1039/C4RA00673A","","","0.71073","MoKα","","0.0761","0.0504","","","0.1389","0.1585","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235504","8.52","0.0002","5.8727","0.0002","16.941","0.0005","90","","98.145","0.002","90","","839.1","0.04","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H19 N -","- C23 H19 N -","- C46 H38 N2 -","2","1","","Zhao, Qiang; Zhuo, Chun-Xiang; You, Shu-Li","Enantioselective synthesis of N-allylindoles via palladium-catalyzed allylic amination/oxidation of indolines","RSC Advances","2014","4","21","10875","","10.1039/c4ra00701h","","","1.54178","CuKα","","0.0367","0.035","","","0.0895","0.0907","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235505","5.9635","0.0001","13.7471","0.0003","28.1129","0.0006","90","","90","","90","","2304.72","0.08","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O4 -","- C27 H32 O4 -","- C108 H128 O16 -","4","1","","Han, Mei-Ling; Shen, Yu; Leng, Ying; Zhang, Hua; Yue, Jian-Min","New rearranged limonoids from Walsura cochinchinensis","RSC Adv.","2014","4","37","19150","","10.1039/C4RA00708E","","","1.54178","CuKα","","0.042","0.0419","","","0.1162","0.1163","","","","","","1.086","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235506","8.2016","0.0005","10.1084","0.0006","13.3847","0.0008","90","","91.338","0.003","90","","1109.36","0.12","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H36 O4 -","- C27 H36 O4 -","- C54 H72 O8 -","2","1","","Han, Mei-Ling; Shen, Yu; Leng, Ying; Zhang, Hua; Yue, Jian-Min","New rearranged limonoids from Walsura cochinchinensis","RSC Adv.","2014","4","37","19150","","10.1039/C4RA00708E","","","1.54178","CuKα","","0.0725","0.0704","","","0.1858","0.1884","","","","","","1.069","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235507","15.7361","0.0003","16.6946","0.0004","20.2283","0.0007","90","","103.168","0.003","90","","5174.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H47 B2 F4 N6 O2 -","- C58 H47 B2 F4 N6 O2 -","- C232 H188 B8 F16 N24 O8 -","4","1","","Gotor, Raúl; Gaviña, Pablo; Ochando, Luis E.; Chulvi, Katherine; Lorente, Alejandro; Martínez-Máñez, Ramón; Costero, Ana M.","BODIPY dyes functionalized with 2-(2-dimethylaminophenyl)ethanol moieties as selective OFF‒ON fluorescent chemodosimeters for the nerve agent mimics DCNP and DFP","RSC Adv.","2014","4","31","15975","","10.1039/C4RA00710G","","","0.71073","MoKα","","0.133","0.1007","","","0.3103","0.3511","","","","","","1.256","","","","has coordinates,has disorder","233088","2020-10-21","18:00:00",""
"7235508","27.09","0.003","22.251","0.002","28.725","0.003","90","","114.718","0.004","90","","15728","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C133 H159.5 Cl5 N12.5 Ni11 O37.5 -","- C133 H157 Cl5 N12.5 Ni11 O37.5 -","- C532 H628 Cl20 N50 Ni44 O150 -","4","1","","Athanasopoulou, Angeliki A.; Raptopoulou, Catherine P.; Escuer, Albert; Stamatatos, Theocharis C.","Rare nuclearities in Ni(ii) cluster chemistry: a Ni11 cage from the first use of N-salicylidene-2-amino-5-chlorobenzoic acid in metal cluster chemistry","RSC Adv.","2014","4","25","12680","","10.1039/C4RA00738G","","","0.71073","MoKα","","0.0775","0.0594","","","0.124","0.1325","","","","","","1.087","","","","has coordinates","233090","2020-10-21","18:00:00",""
"7235509","4.475","0.0001","13.8149","0.0002","8.7194","0.0002","90","","94.575","0.002","90","","537.33","0.019","175","","175","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C8 H13 N2 O5 P -","- C8 H13 N2 O5 P -","- C16 H26 N4 O10 P2 -","2","1","","Midrier, Camille; Montel, Sonia; Braun, Ralf; Haaf, Klaus; Willms, Lothar; van der Lee, Arie; Volle, Jean-Noël; Pirat, Jean-Luc; Virieux, David","Fosmidomycin analogues with N-hydroxyimidazole and N-hydroxyimidazolone as a chelating unit","RSC Adv.","2014","4","45","23770","","10.1039/C4RA00757C","","","0.71073","MoKα","","0.0262","0.0238","","0.0379","0.0361","0.0379","","","","","","1.0405","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235510","6.6374","0.0003","24.5838","0.0015","7.9643","0.0004","90","","101.181","0.005","90","","1274.89","0.12","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 N2 O7 P -","- C9 H17 N2 O7 P -","- C36 H68 N8 O28 P4 -","4","1","","Midrier, Camille; Montel, Sonia; Braun, Ralf; Haaf, Klaus; Willms, Lothar; van der Lee, Arie; Volle, Jean-Noël; Pirat, Jean-Luc; Virieux, David","Fosmidomycin analogues with N-hydroxyimidazole and N-hydroxyimidazolone as a chelating unit","RSC Adv.","2014","4","45","23770","","10.1039/C4RA00757C","","","0.71073","MoKα","","0.113","0.0382","","0.0616","0.0377","0.0377","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235511","7.8726","0.0002","10.7546","0.0003","14.0957","0.0005","90","","97.274","0.003","90","","1183.83","0.06","175","","175","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N2 O5 P -","- C10 H13 N2 O5 P -","- C40 H52 N8 O20 P4 -","4","1","","Midrier, Camille; Montel, Sonia; Braun, Ralf; Haaf, Klaus; Willms, Lothar; van der Lee, Arie; Volle, Jean-Noël; Pirat, Jean-Luc; Virieux, David","Fosmidomycin analogues with N-hydroxyimidazole and N-hydroxyimidazolone as a chelating unit","RSC Adv.","2014","4","45","23770","","10.1039/C4RA00757C","","","0.71073","MoKα","","0.0728","0.0358","","0.0486","0.036","0.036","","","","","","1.0692","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235512","8.2328","0.0002","12.2627","0.0002","21.8139","0.0004","90","","90","","90","","2202.25","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 N2 O5 -","- C25 H26 N2 O5 -","- C100 H104 N8 O20 -","4","1","","Chiou, Wen-Hua; Chiang, Yu-Min","Synthesis of (−)-epibatidine","RSC Adv.","2014","4","22","11444","","10.1039/C4RA00770K","","x-ray","1.54178","CuKα","","0.0338","0.0315","","","0.0839","0.0855","","","","","","1.013","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235513","22.0224","0.0003","10.2959","0.0001","7.9117","0.0001","90","","98.26","0.001","90","","1775.29","0.04","153","2","153","2","","","","","","","","3","C 1 2 1","C 2y","5","Flickinflimbric acid","","","- C19 H30 O4.5 -","- C19 H29 O4.5 -","- C76 H116 O18 -","4","1","","Chen, Jin-Long; Zhao, Zhi-Min; Xue, Xue; Tang, Gui-Hua; Zhu, Long-Ping; Yang, De-Po; Jiang, Lin","Bioactive norditerpenoids from Flickingeria fimbriata","RSC Adv.","2014","4","28","14447","","10.1039/C4RA00835A","","","1.5418","CuKα","","0.0425","0.0398","","","0.1039","0.1072","","","","","","1.056","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7235514","11.9418","0.0003","12.1022","0.0003","14.2821","0.0003","90","","90","","90","","2064.08","0.08","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Flickinflimbrolide-2,3-acetonide","","","- C22 H34 O5 -","- C22 H34 O5 -","- C88 H136 O20 -","4","1","","Chen, Jin-Long; Zhao, Zhi-Min; Xue, Xue; Tang, Gui-Hua; Zhu, Long-Ping; Yang, De-Po; Jiang, Lin","Bioactive norditerpenoids from Flickingeria fimbriata","RSC Adv.","2014","4","28","14447","","10.1039/C4RA00835A","","","1.54184","CuKα","","0.034","0.0324","","","0.0808","0.0825","","","","","","1.105","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235515","30.7135","0.0009","21.8661","0.0006","15.6061","0.0005","90","","100.943","0.003","90","","10290.2","0.5","133","2","133","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C96 H96 Cl8 Fe2 N8 O -","- C96 H96 Cl8 Fe2 N8 O -","- C384 H384 Cl32 Fe8 N32 O4 -","4","1","","Sham, Kiu-Chor; Yee, Chi-Chung; Pan, Yi; Lau, Kai-Chung; Yiu, Shek-Man; Kwong, Hoi-Lun","Acid-induced formation of hydrogen-bonded double helix based on chiral polyphenyl-bridged bis(2,2′-bipyridine) ligands","RSC Adv.","2014","4","28","14513","","10.1039/C4RA00849A","","","1.5418","CuKα","","0.0604","0.0514","","","0.1357","0.1416","","","","","","1.005","","","","has coordinates","233097","2020-10-21","18:00:00",""
"7235516","10.0224","0.0004","13.5194","0.0006","24.2193","0.0011","90","","90","","90","","3281.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 N4 O0.5 -","- C40 H38 N4 O0.5 -","- C160 H152 N16 O2 -","4","1","","Sham, Kiu-Chor; Yee, Chi-Chung; Pan, Yi; Lau, Kai-Chung; Yiu, Shek-Man; Kwong, Hoi-Lun","Acid-induced formation of hydrogen-bonded double helix based on chiral polyphenyl-bridged bis(2,2′-bipyridine) ligands","RSC Adv.","2014","4","28","14513","","10.1039/C4RA00849A","","","0.71073","MoKα","","0.0649","0.04","","","0.0804","0.0846","","","","","","0.989","","","","has coordinates","233097","2020-10-21","18:00:00",""
"7235517","11.4756","0.0003","17.6487","0.0005","26.0159","0.0007","90","","100.426","0.002","90","","5182","0.2","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H56 Cl5 Fe N4 O -","- C59 H56 Cl5 Fe N4 O -","- C236 H224 Cl20 Fe4 N16 O4 -","4","2","","Sham, Kiu-Chor; Yee, Chi-Chung; Pan, Yi; Lau, Kai-Chung; Yiu, Shek-Man; Kwong, Hoi-Lun","Acid-induced formation of hydrogen-bonded double helix based on chiral polyphenyl-bridged bis(2,2′-bipyridine) ligands","RSC Adv.","2014","4","28","14513","","10.1039/C4RA00849A","","","1.54184","CuKα","","0.0366","0.0347","","","0.0973","0.099","","","","","","1.062","","","","has coordinates","233097","2020-10-21","18:00:00",""
"7235518","15.6125","0.0002","18.21","0.0003","18.3284","0.0003","90","","101.789","0.014","90","","5100.9","0.3","115","","115","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C100.75 H123 N8 O17 -","- C100.75 H123 N8 O17 -","- C201.5 H246 N16 O34 -","2","1","","Jewula, Pawel; Chambron, Jean-Claude; Penouilh, Marie-José; Rousselin, Yoann; Meyer, Michel","A 4-tert-butylcalix[4]arene tetrahydroxamate podand based on the 1-oxypiperidine-2-one (1,2-PIPO−) chelate. Self-assembly into a supramolecular ionophore driven by coordination of tetravalent zirconium or hafnium(iv)","RSC Adv.","2014","4","43","22743","","10.1039/C4RA00977K","","x-ray","0.71073","MoKα","","0.0851","0.0715","","","0.1805","0.1978","","","","","","1.081","","","","has coordinates,has disorder","233099","2020-10-21","18:00:00",""
"7235519","19.304","0.003","16.87","0.0014","19.321","0.003","90","","107.1","0.02","90","","6013.9","1.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Ca4 N5 Na O36 -","- C28 H40 Ca4 N5 Na O36 -","- C112 H160 Ca16 N20 Na4 O144 -","4","1","","Gaur, Ruchi; Susmitha, Ambadipudi; Chary, K. V. R.; Mishra, Lallan","A water soluble calcium‒sodium based coordination polymer: selective release of calcium at specific binding sites on proteins","RSC Adv.","2014","4","46","24038","","10.1039/C4RA01005A","","","0.71073","MoKα","","0.1674","0.098","","","0.2245","0.2672","","","","","","0.894","","","","has coordinates","233101","2020-10-21","18:00:00",""
"7235520","8.4767","0.0008","8.896","0.0008","15.3032","0.0014","75.243","0.005","84.666","0.005","65.095","0.005","1012.02","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N2 O6 S -","- C19 H22 N2 O6 S -","- C38 H44 N4 O12 S2 -","2","1","","Singhamahapatra, Anadi; Sahoo, Laxminarayan; Varghese, Babu; Loganathan, Duraikkannu","Synthesis of glycopeptoid sulfonamides diversifying N-glycopeptide linkage region mimics","RSC Advances","2014","4","35","18038","","10.1039/c4ra01009d","","","0.71073","MoKα","","0.0774","0.0543","","","0.1451","0.1659","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235521","19.9851","0.0013","13.9008","0.0008","8.3536","0.0005","90","","113.968","0.003","90","","2120.6","0.2","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H24 N2 O6 S -","- C20 H24 N2 O6 S -","- C80 H96 N8 O24 S4 -","4","1","","Singhamahapatra, Anadi; Sahoo, Laxminarayan; Varghese, Babu; Loganathan, Duraikkannu","Synthesis of glycopeptoid sulfonamides diversifying N-glycopeptide linkage region mimics","RSC Advances","2014","4","35","18038","","10.1039/c4ra01009d","","","0.71073","MoKα","","0.0355","0.0292","","","0.0657","0.0693","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235522","6.5378","0.0001","12.7943","0.0003","17.9426","0.0004","90","","90","","90","","1500.84","0.05","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O4 S -","- C14 H17 N O4 S -","- C56 H68 N4 O16 S4 -","4","1","","Singhamahapatra, Anadi; Sahoo, Laxminarayan; Varghese, Babu; Loganathan, Duraikkannu","Synthesis of glycopeptoid sulfonamides diversifying N-glycopeptide linkage region mimics","RSC Advances","2014","4","35","18038","","10.1039/c4ra01009d","","","0.71073","MoKα","","0.029","0.0266","","","0.0745","0.0775","","","","","","1.064","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235523","6.5396","0.0002","12.8007","0.0006","17.9487","0.0009","90","","90","","90","","1502.51","0.11","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O4 S -","- C14 H17 N O4 S -","- C56 H68 N4 O16 S4 -","4","1","","Singhamahapatra, Anadi; Sahoo, Laxminarayan; Varghese, Babu; Loganathan, Duraikkannu","Synthesis of glycopeptoid sulfonamides diversifying N-glycopeptide linkage region mimics","RSC Advances","2014","4","35","18038","","10.1039/c4ra01009d","","","0.71073","MoKα","","0.031","0.0275","","","0.076","0.0797","","","","","","1.077","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235524","9.1171","0.0013","9.6587","0.0018","11.5594","0.0018","98.125","0.013","103.944","0.01","117.147","0.008","841.1","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 F3 N O4 S -","- C18 H14 F3 N O4 S -","- C36 H28 F6 N2 O8 S2 -","2","1","","Parveen, Shagufta; Hussain, Saghir; Zhu, Shaojuan; Qin, Xiangyu; Hao, Xin; Zhang, Shuzhen; Lu, Jianglu; Zhu, Changjin","Selective synthesis and comparative activity of olefinic isomers of 1,2-benzothiazine-1,1-dioxide carboxylates as aldose reductase inhibitors","RSC Advances","2014","4","40","21134","","10.1039/c4ra01016g","","","0.71073","MoKα","","0.0472","0.0383","","","0.1007","0.1063","","","","","","1.004","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235525","18.947","0.005","8.529","0.002","22.067","0.006","90","","110.8","0.003","90","","3333.6","1.5","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 F3 N O4 S -","- C18 H14 F3 N O4 S -","- C144 H112 F24 N8 O32 S8 -","8","1","","Parveen, Shagufta; Hussain, Saghir; Zhu, Shaojuan; Qin, Xiangyu; Hao, Xin; Zhang, Shuzhen; Lu, Jianglu; Zhu, Changjin","Selective synthesis and comparative activity of olefinic isomers of 1,2-benzothiazine-1,1-dioxide carboxylates as aldose reductase inhibitors","RSC Advances","2014","4","40","21134","","10.1039/c4ra01016g","","","0.71073","MoKα","","0.0485","0.0425","","","0.1141","0.1201","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235526","8.811","0.0008","20.948","0.0013","10.5926","0.0007","90","","90.386","0.007","90","","1955.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O -","- C28 H24 O -","- C112 H96 O4 -","4","1","","Kotikalapudi, Ramesh; Siva Kumari, A. Leela; Swamy, K. C. Kumara","NHC–gold(i) catalysed [4 + 2] cycloaddition–acyclic addition of dialkyl substituted propargylic esters with 1,3-diphenylisobenzofuran: synthesis of novel benzo[c]fluorenols and substituted dienes","RSC Adv.","2014","4","34","17717","","10.1039/C4RA01105H","","","0.71073","MoKα","","0.1186","0.0616","","","0.1025","0.1257","","","","","","0.98","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235527","10.5694","0.0014","16.183","0.004","16.088","0.004","90","","91.002","0.016","90","","2751.3","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 O4 -","- C37 H28 O4 -","- C148 H112 O16 -","4","1","","Kotikalapudi, Ramesh; Siva Kumari, A. Leela; Swamy, K. C. Kumara","NHC–gold(i) catalysed [4 + 2] cycloaddition–acyclic addition of dialkyl substituted propargylic esters with 1,3-diphenylisobenzofuran: synthesis of novel benzo[c]fluorenols and substituted dienes","RSC Adv.","2014","4","34","17717","","10.1039/C4RA01105H","","","0.71073","MoKα","","0.1085","0.0508","","","0.0748","0.092","","","","","","0.931","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235528","10.8039","0.0004","13.3968","0.0005","15.0329","0.0002","100.649","0.002","107.248","0.002","111.484","0.001","1825.19","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H41 N2 O7 Rh Ru -","- C42 H40 N2 O7 Rh Ru -","- C84 H80 N4 O14 Rh2 Ru2 -","2","1","","Damas, Aurelie; Sesolis, Hugo; Rager, Marie Noelle; Chamoreau, Lise Marie; Gullo, Maria Pia; Barbieri, Andrea; Amouri, Hani","Ester-substituted cyclometallated rhodium and iridium coordination assemblies with π-bonded dioxolene ligand: synthesis, structures and luminescent properties","RSC Adv.","2014","4","45","23740","","10.1039/C4RA01185F","","","0.71073","MoKα","","0.0487","0.0343","","","0.0849","0.0958","","","","","","1.049","","","","has coordinates","233107","2020-10-21","18:00:00",""
"7235529","22.2991","0.0014","24.5147","0.0015","18.4529","0.0012","90","","122.944","0.003","90","","8465.4","1","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H45 Ir N2 O9 Ru -","- C42 H39 Ir N2 O9 Ru -","- C336 H312 Ir8 N16 O72 Ru8 -","8","1","","Damas, Aurelie; Sesolis, Hugo; Rager, Marie Noelle; Chamoreau, Lise Marie; Gullo, Maria Pia; Barbieri, Andrea; Amouri, Hani","Ester-substituted cyclometallated rhodium and iridium coordination assemblies with π-bonded dioxolene ligand: synthesis, structures and luminescent properties","RSC Adv.","2014","4","45","23740","","10.1039/C4RA01185F","","","0.71073","MoKα","","0.0938","0.0581","","","0.1483","0.1884","","","","","","1.095","","","","has coordinates","233107","2020-10-21","18:00:00",""
"7235530","11.9031","0.0009","9.4411","0.0005","19.8615","0.0015","90","","94.702","0.002","90","","2224.5","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 Cl N O12 -","- C18 H24 Cl N O12 -","- C72 H96 Cl4 N4 O48 -","4","2","","Sahoo, Laxminarayan; Singhamahapatra, Anadi; Ramkumar, Vankatachalam; Loganathan, Duraikkannu","Regioselective opening of unsymmetrical cyclic anhydrides: synthesis of N-glycosylated isoasparagine and isoglutamine conjugates","RSC Advances","2014","4","42","22042","","10.1039/c4ra01234h","","","0.71073","MoKα","","0.0813","0.0524","","","0.1062","0.1198","","","","","","1.01","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235531","10.3349","0.0004","11.8962","0.0004","20.2894","0.0008","90","","90","","90","","2494.5","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N O9 Zn2 -","- C12 H11 N O9 Zn2 -","- C48 H44 N4 O36 Zn8 -","4","1","","Lili, Liu; Xin, Zhang; Shumin, Rang; Ying, Yang; Xiaoping, Dai; Jinsen, Gao; Chunming, Xu; Jing, He","Catalysis by metal‒organic frameworks: proline and gold functionalized MOFs for the aldol and three-component coupling reactions","RSC Adv.","2014","4","25","13093","","10.1039/C4RA01269K","","","0.71073","MoKα","","0.067","0.0527","","","0.1788","0.1908","","","","","","1.08","","","","has coordinates","233111","2020-10-21","18:00:00",""
"7235532","9.7827","0.0008","10.0303","0.0004","10.3019","0.0004","110.382","0.002","101.227","0.002","102.845","0.002","881.95","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Ray, Suman; Bhaumik, Asim; Pramanik, Malay; Mukhopadhyay, Chhanda","Covalently anchored carboxylic acid on uniform spherical silica nanoparticles with narrow slit like mesopores for the synthesis of pyrroloacridinones: CuI-catalyzed further C(sp3)–H oxyfunctionalization for CO formation","RSC Advances","2014","4","30","15441","","10.1039/c4ra01287a","","","0.71073","MoKα","","0.0509","0.0446","","","0.1206","0.1285","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235533","10.7669","0.0003","9.788","0.0003","17.8714","0.0006","90","","107.392","0.001","90","","1797.3","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N3 O3 -","- C22 H17 N3 O3 -","- C88 H68 N12 O12 -","4","1","","Ray, Suman; Bhaumik, Asim; Pramanik, Malay; Mukhopadhyay, Chhanda","Covalently anchored carboxylic acid on uniform spherical silica nanoparticles with narrow slit like mesopores for the synthesis of pyrroloacridinones: CuI-catalyzed further C(sp3)–H oxyfunctionalization for CO formation","RSC Advances","2014","4","30","15441","","10.1039/c4ra01287a","","","0.71073","MoKα","","0.0629","0.0444","","","0.1386","0.1667","","","","","","0.717","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235534","33.052","0.006","7.1765","0.0013","28.014","0.005","90","","99.224","0.004","90","","6559","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C352 H256 N32 O16 -","16","2","","Ray, Suman; Bhaumik, Asim; Pramanik, Malay; Mukhopadhyay, Chhanda","Covalently anchored carboxylic acid on uniform spherical silica nanoparticles with narrow slit like mesopores for the synthesis of pyrroloacridinones: CuI-catalyzed further C(sp3)–H oxyfunctionalization for CO formation","RSC Advances","2014","4","30","15441","","10.1039/c4ra01287a","","","0.71073","MoKα","","0.104","0.0572","","","0.1509","0.1802","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235535","6.0809","0.0004","13.7871","0.0008","21.3972","0.0013","90","","94.743","0.002","90","","1787.75","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C92 H72 N8 O8 -","4","1","","Ray, Suman; Bhaumik, Asim; Pramanik, Malay; Mukhopadhyay, Chhanda","Covalently anchored carboxylic acid on uniform spherical silica nanoparticles with narrow slit like mesopores for the synthesis of pyrroloacridinones: CuI-catalyzed further C(sp3)–H oxyfunctionalization for CO formation","RSC Advances","2014","4","30","15441","","10.1039/c4ra01287a","","","0.71073","MoKα","","0.0604","0.041","","","0.106","0.1205","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235536","9.112","0.0007","10.6244","0.0008","11.2803","0.0008","97.211","0.002","105.469","0.002","113.356","0.002","932.65","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 Br Cl N2 O2 -","- C22 H14 Br Cl N2 O2 -","- C44 H28 Br2 Cl2 N4 O4 -","2","1","","Ray, Suman; Bhaumik, Asim; Pramanik, Malay; Mukhopadhyay, Chhanda","Covalently anchored carboxylic acid on uniform spherical silica nanoparticles with narrow slit like mesopores for the synthesis of pyrroloacridinones: CuI-catalyzed further C(sp3)–H oxyfunctionalization for CO formation","RSC Advances","2014","4","30","15441","","10.1039/c4ra01287a","","","0.71073","MoKα","","0.0644","0.0488","","","0.1336","0.1496","","","","","","0.996","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235537","8.0084","0.0005","11.0499","0.0007","11.0645","0.0007","70.326","0.005","80.844","0.005","71.336","0.006","872.03","0.1","99.2","0.2","99.9","0.2","","","","","","","","4","P -1","-P 1","2","pyranone carboxamide","N-(3-hydroxypropyl)-2-oxo-6-phenyl-4-(piperidin-1-yl)-2H-pyran-3-carboxamide","","- C20 H24 N2 O4 -","- C20.012 H22.648 N2 O4 -","- C40.024 H45.296 N4 O8 -","2","1","","Karampuri, Srinivas; Ojha, Durbadal; Bag, Paromita; Chakravarty, Harapriya; Bal, Chandralata; Chattopadhyay, Debprasad; Sharon, Ashoke","Anti-HSV activity and mode of action study of α-pyrone carboxamides","RSC Adv.","2014","4","33","17354","","10.1039/C4RA01303D","","","1.54184","CuKα","","0.0509","0.0438","","","0.1175","0.1243","","","","","","1.079","","","","has coordinates,has disorder","233114","2020-10-21","18:00:00",""
"7235538","12.2205","0.0008","30.1724","0.0015","13.0655","0.0007","90","","98.252","0.003","90","","4767.7","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H104 Mo10 N8 O26 S16 -","- C51 H106 Mo10 N8 O26 S16 -","- C102 H212 Mo20 N16 O52 S32 -","2","0.5","","Guo, Jin; Chen, Xiao; Yi, Yanjiao; Li, Wenzhen; Liang, Changhai","Layer-controlled synthesis of graphene-like MoS2 from single source organometallic precursor for Li-ion batteries","RSC Advances","2014","4","32","16716","","10.1039/c4ra01318b","","","0.71073","MoKα","","0.0589","0.0394","","","0.0968","0.1066","","","","","","0.958","","","","has coordinates,has disorder","233116","2020-10-21","18:00:00",""
"7235539","21.39","0.015","21.39","","12.812","0.013","90","","90","","120","","5077","6","100","2","100","2","","","","","","","","7","P 64","P 64","172","","","","- C26 H35 N8 O7.5 P2 Pd S2 -","- C26 H35 N8 O7.5 P2 Pd S2 -","- C156 H210 N48 O45 P12 Pd6 S12 -","6","1","","Kapdi, Anant; Gayakhe, Vijay; Sanghvi, Yogesh S.; García, Joaquín; Lozano, Pedro; da Silva, Ivan; Pérez, José; Serrano, J. Luis","New water soluble Pd-imidate complexes as highly efficient catalysts for the synthesis of C5-arylated pyrimidine nucleosides","RSC Adv.","2014","4","34","17567","","10.1039/C4RA01326C","","","0.71073","MoKα","","0.0617","0.046","","","0.1181","0.1293","","","","","","0.89","","","","has coordinates","233118","2020-10-21","18:00:00",""
"7235540","10.25413","0.00018","12.90075","0.00016","18.8342","0.0003","90","","100.995","0.0016","90","","2445.76","0.07","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1","","","- C8 H8 Ag Cl N4 O6 -","- C8 H8 Ag Cl N4 O6 -","- C64 H64 Ag8 Cl8 N32 O48 -","8","2","","Puttreddy, Rakesh; Cottam, Justine R. A.; Steel, Peter J.","Anion dependent silver(i) complexes of pyrazine mono-N-oxide","RSC Adv.","2014","4","43","22449","","10.1039/C4RA01336K","","","0.71073","MoKα","","0.0185","0.0172","","","0.0417","0.0423","","","","","","1.099","","","","has coordinates","233120","2020-10-21","18:00:00",""
"7235541","10.2884","0.0005","12.7097","0.0004","10.336","0.0004","90","","103.593","0.004","90","","1313.7","0.09","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2","","","- C8 H8 Ag F6 N4 O2 P -","- C8 H8 Ag F6 N4 O2 P -","- C32 H32 Ag4 F24 N16 O8 P4 -","4","1","","Puttreddy, Rakesh; Cottam, Justine R. A.; Steel, Peter J.","Anion dependent silver(i) complexes of pyrazine mono-N-oxide","RSC Adv.","2014","4","43","22449","","10.1039/C4RA01336K","","","0.71073","MoKα","","0.0209","0.0184","","","0.0442","0.0455","","","","","","1.075","","","","has coordinates,has disorder","233120","2020-10-21","18:00:00",""
"7235542","4.88685","0.00015","15.4949","0.0003","15.4356","0.0003","90","","97.643","0.002","90","","1158.42","0.05","120","2","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","3","","","- C8 H8 Ag B F4 N4 O2 -","- C8 H8 Ag B F4 N4 O2 -","- C32 H32 Ag4 B4 F16 N16 O8 -","4","1","","Puttreddy, Rakesh; Cottam, Justine R. A.; Steel, Peter J.","Anion dependent silver(i) complexes of pyrazine mono-N-oxide","RSC Adv.","2014","4","43","22449","","10.1039/C4RA01336K","","","0.71073","MoKα","","0.0466","0.0457","","","0.1089","0.1092","","","","","","1.27","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235543","6.51","0.0013","7.087","0.0014","12.645","0.003","95.6","0.03","103.58","0.03","99.5","0.03","553.6","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","4","","","- C8 H8 Ag N5 O5 -","- C8 H8 Ag N5 O5 -","- C16 H16 Ag2 N10 O10 -","2","1","","Puttreddy, Rakesh; Cottam, Justine R. A.; Steel, Peter J.","Anion dependent silver(i) complexes of pyrazine mono-N-oxide","RSC Adv.","2014","4","43","22449","","10.1039/C4RA01336K","","","0.71073","MoKα","","0.021","0.0137","","","0.0407","0.0482","","","","","","0.985","","","","has coordinates,has disorder","233120","2020-10-21","18:00:00",""
"7235544","11.3257","0.0003","12.5005","0.0002","13.7721","0.0003","90","","112.254","0.003","90","","1804.58","0.08","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","5","","","- C12 H10 Ag2 F6 N4 O7 -","- C12 H10 Ag2 F6 N4 O7 -","- C48 H40 Ag8 F24 N16 O28 -","4","1","","Puttreddy, Rakesh; Cottam, Justine R. A.; Steel, Peter J.","Anion dependent silver(i) complexes of pyrazine mono-N-oxide","RSC Adv.","2014","4","43","22449","","10.1039/C4RA01336K","","","0.71073","MoKα","","0.0201","0.0178","","","0.044","0.0453","","","","","","1.071","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235545","12.454","0.004","13.5","0.004","20.224","0.007","95.632","0.012","91.802","0.011","109.716","0.01","3177.9","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H62 P4 Ru -","- C70 H62 P4 Ru -","- C140 H124 P8 Ru2 -","2","1","","Das, Uttam Kumar; Jena, Rajesh K.; Bhattacharjee, Manish","Synthesis, structure and catalytic properties of [Ru(dppp)2(CH3CN)Cl][BPh4] and isolation of catalytically active [Ru(dppp)2Cl][BPh4]: ruthenium catalysed alkyne homocoupling and tandem alkyne‒azide cycloaddition","RSC Adv.","2014","4","42","21964","","10.1039/C4RA01411A","","","0.71073","MoKα","","0.1715","0.0773","","","","0.197","","","","","","0.881","","","","has coordinates","233123","2020-10-21","18:00:00",""
"7235546","12.62","0.005","13.935","0.005","19.343","0.005","92.44","0.005","96.936","0.005","94.388","0.005","3362","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H75 B Cl N P4 Ru -","- C80 H75 B Cl N P4 Ru -","- C160 H150 B2 Cl2 N2 P8 Ru2 -","2","1","","Das, Uttam Kumar; Jena, Rajesh K.; Bhattacharjee, Manish","Synthesis, structure and catalytic properties of [Ru(dppp)2(CH3CN)Cl][BPh4] and isolation of catalytically active [Ru(dppp)2Cl][BPh4]: ruthenium catalysed alkyne homocoupling and tandem alkyne‒azide cycloaddition","RSC Adv.","2014","4","42","21964","","10.1039/C4RA01411A","","","0.71073","MoKα","","0.1871","0.0619","","","","0.1574","","","","","","0.92","","","","has coordinates","233123","2020-10-21","18:00:00",""
"7235547","17.742","0.005","19.095","0.005","19.603","0.005","90","0","97.922","0.005","90","0","6578","3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C78 H72 B Cl P4 Ru -","- C78 H72 B Cl P4 Ru -","- C312 H288 B4 Cl4 P16 Ru4 -","4","1","","Das, Uttam Kumar; Jena, Rajesh K.; Bhattacharjee, Manish","Synthesis, structure and catalytic properties of [Ru(dppp)2(CH3CN)Cl][BPh4] and isolation of catalytically active [Ru(dppp)2Cl][BPh4]: ruthenium catalysed alkyne homocoupling and tandem alkyne‒azide cycloaddition","RSC Adv.","2014","4","42","21964","","10.1039/C4RA01411A","","","0.71073","MoKα","","0.2284","0.0732","","","0.1274","0.1933","","","","","","0.964","","","","has coordinates","233123","2020-10-21","18:00:00",""
"7235548","7.9393","0.0003","11.3829","0.0004","13.772","0.0006","111.729","0.004","101.772","0.003","99.8","0.003","1089.75","0.09","100","0.13","100","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 Cl Co N6 O7 -","- C16 H24 Cl Co N6 O7 -","- C32 H48 Cl2 Co2 N12 O14 -","2","1","","Song, Xiao-Wei; Wen, Hui-Min; Ma, Cheng-Bing; Cui, Hong-Hua; Chen, Hui; Chen, Chang-Neng","Efficient photocatalytic hydrogen evolution with end-group-functionalized cobaloxime catalysts in combination with graphite-like C3N4","RSC Adv.","2014","4","36","18853","","10.1039/C4RA01413H","","","0.71073","MoKα","","","0.0409","","","0.093","0.0955","","","","","","1.091","","","","has coordinates","233125","2020-10-21","18:00:00",""
"7235549","9.5141","0.0004","17.4267","0.0009","20.3947","0.001","75.82","0.005","87.861","0.004","74.763","0.004","3161.8","0.3","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H70 Cl4 Co2 N12 O13 -","- C64 H70 Cl4 Co2 N12 O13 -","- C128 H140 Cl8 Co4 N24 O26 -","2","1","","Song, Xiao-Wei; Wen, Hui-Min; Ma, Cheng-Bing; Cui, Hong-Hua; Chen, Hui; Chen, Chang-Neng","Efficient photocatalytic hydrogen evolution with end-group-functionalized cobaloxime catalysts in combination with graphite-like C3N4","RSC Adv.","2014","4","36","18853","","10.1039/C4RA01413H","","","1.54184","CuKα","","","0.0716","","","0.1824","0.2068","","","","","","1.033","","","","has coordinates","233125","2020-10-21","18:00:00",""
"7235550","32.09","0.002","6.3662","0.0004","18.8845","0.0013","90","","118.786","0.004","90","","3381.2","0.4","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cu N6 O2 S2 -","- C36 H40 Cu N6 O2 S2 -","- C144 H160 Cu4 N24 O8 S8 -","4","0.5","","Jeyalakshmi, Kumaramangalam; Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Sreekanth, Anantharaman; Karvembu, Ramasamy","DNA/protein binding and cytotoxicity studies of copper(ii) complexes containing N,N′,N′′-trisubstituted guanidine ligands","RSC Advances","2014","4","33","17179","","10.1039/c4ra01459f","","","1.54178","CuKα","","0.039","0.0336","","","0.0869","0.0887","","","","","","1.089","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235551","8.8813","0.0005","9.9783","0.0006","10.5085","0.0006","65.333","0.004","83.253","0.004","86.906","0.004","840.41","0.09","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cu N6 O2 S2 -","- C38 H32 Cu N6 O2 S2 -","- C38 H32 Cu N6 O2 S2 -","1","0.5","","Jeyalakshmi, Kumaramangalam; Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Sreekanth, Anantharaman; Karvembu, Ramasamy","DNA/protein binding and cytotoxicity studies of copper(ii) complexes containing N,N′,N′′-trisubstituted guanidine ligands","RSC Advances","2014","4","33","17179","","10.1039/c4ra01459f","","","1.54178","CuKα","","0.0393","0.0349","","","0.0956","0.0973","","","","","","1.092","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235552","7.9816","0.0019","9.606","0.002","10.048","0.002","90","","94.281","0.003","90","","768.2","0.3","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 N3 O S -","- C16 H19 N3 O S -","- C32 H38 N6 O2 S2 -","2","1","","Jeyalakshmi, Kumaramangalam; Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Sreekanth, Anantharaman; Karvembu, Ramasamy","DNA/protein binding and cytotoxicity studies of copper(ii) complexes containing N,N′,N′′-trisubstituted guanidine ligands","RSC Advances","2014","4","33","17179","","10.1039/c4ra01459f","","","0.71073","MoKα","","0.0563","0.0553","","","0.1435","0.1456","","","","","","1.024","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235553","17.941","0.004","9.5618","0.0019","20.779","0.004","90","","107.292","0.002","90","","3403.5","1.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N3 O S -","- C19 H17 N3 O S -","- C152 H136 N24 O8 S8 -","8","2","","Jeyalakshmi, Kumaramangalam; Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Sreekanth, Anantharaman; Karvembu, Ramasamy","DNA/protein binding and cytotoxicity studies of copper(ii) complexes containing N,N′,N′′-trisubstituted guanidine ligands","RSC Advances","2014","4","33","17179","","10.1039/c4ra01459f","","","0.71073","MoKα","","0.0402","0.0357","","","0.0885","0.0921","","","","","","1.027","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235554","19.258","0.005","19.258","0.005","9.374","0.002","90","","90","","90","","3476.5","1.5","110","2","110","2","","","","","","","","5","P -4","P -4","81","","","","- C19 H17 N3 O S -","- C19 H17 N3 O S -","- C152 H136 N24 O8 S8 -","8","2","","Jeyalakshmi, Kumaramangalam; Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Sreekanth, Anantharaman; Karvembu, Ramasamy","DNA/protein binding and cytotoxicity studies of copper(ii) complexes containing N,N′,N′′-trisubstituted guanidine ligands","RSC Advances","2014","4","33","17179","","10.1039/c4ra01459f","","","0.71073","MoKα","","0.0436","0.0403","","","0.0917","0.0939","","","","","","1.092","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235555","6.4059","0.0009","10.8648","0.0016","12.1262","0.0017","79.907","0.002","82.063","0.002","73.721","0.002","794.1","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N3 O S -","- C18 H15 N3 O S -","- C36 H30 N6 O2 S2 -","2","1","","Jeyalakshmi, Kumaramangalam; Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Sreekanth, Anantharaman; Karvembu, Ramasamy","DNA/protein binding and cytotoxicity studies of copper(ii) complexes containing N,N′,N′′-trisubstituted guanidine ligands","RSC Advances","2014","4","33","17179","","10.1039/c4ra01459f","","","0.71073","MoKα","","0.0381","0.0354","","","0.0882","0.0898","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235556","11.0663","0.0016","10.493","0.0015","14.541","0.002","90","","90","","90","","1688.5","0.4","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H21 N3 O S -","- C18 H21 N3 O S -","- C72 H84 N12 O4 S4 -","4","1","","Jeyalakshmi, Kumaramangalam; Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Sreekanth, Anantharaman; Karvembu, Ramasamy","DNA/protein binding and cytotoxicity studies of copper(ii) complexes containing N,N′,N′′-trisubstituted guanidine ligands","RSC Advances","2014","4","33","17179","","10.1039/c4ra01459f","","","0.71073","MoKα","","0.0256","0.025","","","0.0627","0.0633","","","","","","1.053","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235557","10.8072","0.0007","12.1025","0.0008","14.9454","0.001","112.022","0.006","97.279","0.005","90.57","0.005","1794","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 Br N6 O7 S -","- C33 H19 Br N6 O7 S -","- C66 H38 Br2 N12 O14 S2 -","2","1","","Kamalraja, Jayabal; Murugasan, Potharaj; Perumal, Paramasivan Thirumalai","InCl3-mediated eco-friendly three-component domino reaction for synthesis of highly functionalized triazolylspiroxindolinopyrans and triazolylpyrans under solvent-free conditions","RSC Advances","2014","4","37","19422","","10.1039/c4ra01524j","","","0.71073","MoKα","","0.169","0.1154","","","0.3396","0.375","","","","","","1.324","","","","has coordinates","233129","2020-10-21","18:00:00",""
"7235558","4.1774","0.0005","9.2283","0.0012","10.8275","0.0014","108.661","0.002","95.978","0.002","91.459","0.002","392.54","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Br2 N4 Pb -","- C12 H10 Br2 N4 Pb -","- C12 H10 Br2 N4 Pb -","1","0.5","","Hashemi, Lida; Morsali, Ali","Solid state structural transformation of bromide coordination polymer to chloride by anion replacement; new precursors for preparation of PbBr2 and PbCl2 nanoparticles","RSC Adv.","2014","4","33","17265","","10.1039/C4RA01579G","","","0.71073","MoKα","","0.0139","0.0139","","","0.0327","0.0327","","","","","","1.004","","","","has coordinates","233131","2020-10-21","18:00:00",""
"7235559","4.0721","0.0011","8.784","0.002","10.982","0.003","110.278","0.005","95.38","0.009","90.369","0.01","366.53","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cl2 N4 Pb -","- C12 H10 Cl2 N4 Pb -","- C12 H10 Cl2 N4 Pb -","1","0.5","","Hashemi, Lida; Morsali, Ali","Solid state structural transformation of bromide coordination polymer to chloride by anion replacement; new precursors for preparation of PbBr2 and PbCl2 nanoparticles","RSC Adv.","2014","4","33","17265","","10.1039/C4RA01579G","","","0.71073","MoKα","","0.0254","0.0254","","","0.0539","0.0539","","","","","","1.014","","","","has coordinates","233131","2020-10-21","18:00:00",""
"7235560","5.361","0.005","11.911","0.005","15.763","0.005","90","0.005","90","0.005","90","0.005","1006.5","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","","Yasmin, Nasima; Ghosh, Munmun; Ray, Jayanta K.","P4S10 and Na2S-mediated novel annulation routes to c-fused thiophenes","RSC Advances","2014","4","38","19932","","10.1039/c4ra01639d","","","0.71073","MoKα","","0.0677","0.049","","","0.134","0.146","","","","","","1.074","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235561","12.992","0.006","22.249","0.01","12.953","0.006","90","","116.056","0.004","90","","3364","3","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H72 Cl8 Cu2 N24 O24 -","- C40 H44 Cl8 Cu2 N24 O24 -","- C80 H88 Cl16 Cu4 N48 O48 -","2","0.25","","Lin, Rui-Lian; Sun, Wen-Qi; Yao, Wen-Rui; Zhu, Jing; Liu, Jing-Xin","Anion concentration control in the self-assembly of symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril-based tubular architectures","RSC Advances","2014","4","35","18323","","10.1039/c4ra01671h","","","0.71073","MoKα","","0.0807","0.0518","","","0.1376","0.1545","","","","","","1.03","","","","has coordinates","233135","2020-10-21","18:00:00",""
"7235562","23.32","0.02","10.325","0.009","16.528","0.014","90","","117.31","0.02","90","","3536","5","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H60 Cl4 Cu2 N24 O26 -","- C40 H40 Cl4 Cu2 N24 O16 -","- C80 H80 Cl8 Cu4 N48 O32 -","2","0.25","","Lin, Rui-Lian; Sun, Wen-Qi; Yao, Wen-Rui; Zhu, Jing; Liu, Jing-Xin","Anion concentration control in the self-assembly of symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril-based tubular architectures","RSC Advances","2014","4","35","18323","","10.1039/c4ra01671h","","","0.71073","MoKα","","0.1075","0.0863","","","0.2419","0.2606","","","","","","1.002","","","","has coordinates","233135","2020-10-21","18:00:00",""
"7235563","14.5472","0.0016","14.6987","0.0017","31.549","0.004","90","","97.066","0.004","90","","6694.7","1.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H72 N24 O26 -","- C40 H44 N24 O12 -","- C160 H176 N96 O48 -","4","1","","Lin, Rui-Lian; Sun, Wen-Qi; Yao, Wen-Rui; Zhu, Jing; Liu, Jing-Xin","Anion concentration control in the self-assembly of symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril-based tubular architectures","RSC Advances","2014","4","35","18323","","10.1039/c4ra01671h","","","0.71073","MoKα","","0.1139","0.067","","","0.1656","0.1821","","","","","","1.005","","","","has coordinates","233135","2020-10-21","18:00:00",""
"7235564","9.9566","0.0015","10.2959","0.0016","13.2929","0.0019","74.756","0.004","76.427","0.004","79.167","0.004","1266.4","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H30 O3 -","- C34 H30 O3 -","- C68 H60 O6 -","2","1","","Ahmad, Imran; Pathak, Vinay; Vasudev, Prema G.; Maurya, Hardesh K.; Gupta, Atul","Borontribromide-mediated C–C bond formation in cyclic ketones: a transition metal free approach","RSC Advances","2014","4","47","24619","","10.1039/c4ra01745e","","","0.71073","MoKα","","0.1563","0.0629","","","0.1163","0.1472","","","","","","0.939","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235565","7.952","0.003","9.721","0.004","9.932","0.004","109.057","0.007","102.134","0.007","92.43","0.007","704.3","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O -","- C20 H18 O -","- C40 H36 O2 -","2","1","","Ahmad, Imran; Pathak, Vinay; Vasudev, Prema G.; Maurya, Hardesh K.; Gupta, Atul","Borontribromide-mediated C–C bond formation in cyclic ketones: a transition metal free approach","RSC Advances","2014","4","47","24619","","10.1039/c4ra01745e","","","0.71073","MoKα","","0.0745","0.0574","","","0.1522","0.1763","","","","","","1.075","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235566","7.512","0.003","10.869","0.004","15.71","0.007","73.025","0.008","89.269","0.008","85.733","0.008","1223.4","0.9","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H27 N3 O4 -","- C29 H27 N3 O4 -","- C58 H54 N6 O8 -","2","1","","Bai, Su-Yun; Dai, Xi; Zhao, Bao-Xiang; Miao, Jun-Ying","Discovery of a novel fluorescent HSP90 inhibitor and its anti-lung cancer effect","RSC Adv.","2014","4","38","19887","","10.1039/C4RA01800A","","","0.71073","MoKα","","0.242","0.0661","","","0.1422","0.2163","","","","","","0.874","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235567","7.9465","0.0005","18.6642","0.0012","8.8245","0.0006","90","","95.265","0.005","90","","1303.28","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O4 -","- C15 H12 N2 O4 -","- C60 H48 N8 O16 -","4","1","","Xiang, Haoyue; Chen, Jianyang; Miao, Zehong; Yang, Chunhao","Cascade synthesis of novel functionalized pyridine-fused coumarins in aqueous medium","RSC Advances","2014","4","31","16132","","10.1039/C4RA01848F","","","0.71073","MoKα","","0.0822","0.0597","","","0.1619","0.1739","","","","","","1.79","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235568","5.2272","0.0009","8.0305","0.0013","13.945","0.002","88.537","0.011","82.628","0.011","74.066","0.01","558.2","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C28 H20 N4 O4 -","2","1","","Xiang, Haoyue; Chen, Jianyang; Miao, Zehong; Yang, Chunhao","Cascade synthesis of novel functionalized pyridine-fused coumarins in aqueous medium","RSC Advances","2014","4","31","16132","","10.1039/C4RA01848F","","","0.71073","MoKα","","0.0529","0.0415","","","0.1242","0.1351","","","","","","1.459","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235569","13.087","0.002","11.462","0.002","15.654","0.003","90","","92.333","0.008","90","","2346.2","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 N3 -","- C12 H17 N3 -","- C96 H136 N24 -","8","2","","Ma, Yuchi; Liang, Jin; Zhao, Dongmei; Chen, Yue-Lei; Shen, Jingkang; Xiong, Bing","Condensed Fukui function predicts innate C–H radical functionalization sites on multi-nitrogen containing fused arenes","RSC Adv.","2014","4","33","17262","","10.1039/C4RA01853B","","","0.71073","MoKα","","0.1157","0.0582","","","0.1753","0.22","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235570","10.079","0.008","11.523","0.01","15.799","0.012","90","","90","","90","","1835","3","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C9 H12 N3 O0.5 -","- C9 H12 N3 O0.5 -","- C72 H96 N24 O4 -","8","1","","Ma, Yuchi; Liang, Jin; Zhao, Dongmei; Chen, Yue-Lei; Shen, Jingkang; Xiong, Bing","Condensed Fukui function predicts innate C–H radical functionalization sites on multi-nitrogen containing fused arenes","RSC Adv.","2014","4","33","17262","","10.1039/C4RA01853B","","","0.71073","MoKα","","0.1073","0.0506","","","0.1358","0.1751","","","","","","0.969","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235571","7.9968","0.0002","4.7517","0.0001","22.7801","0.0006","90","","95.949","0.001","90","","860.95","0.04","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N3 -","- C9 H11 N3 -","- C36 H44 N12 -","4","1","","Ma, Yuchi; Liang, Jin; Zhao, Dongmei; Chen, Yue-Lei; Shen, Jingkang; Xiong, Bing","Condensed Fukui function predicts innate C–H radical functionalization sites on multi-nitrogen containing fused arenes","RSC Adv.","2014","4","33","17262","","10.1039/C4RA01853B","","","1.54178","CuKα","","0.0537","0.0435","","","0.1142","0.1225","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235572","12.9851","0.0018","14.146","0.0019","13.3141","0.0019","90","","95.871","0.009","90","","2432.8","0.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 N3 -","- C12 H17 N3 -","- C96 H136 N24 -","8","2","","Ma, Yuchi; Liang, Jin; Zhao, Dongmei; Chen, Yue-Lei; Shen, Jingkang; Xiong, Bing","Condensed Fukui function predicts innate C–H radical functionalization sites on multi-nitrogen containing fused arenes","RSC Adv.","2014","4","33","17262","","10.1039/C4RA01853B","","","0.71073","MoKα","","0.1122","0.0801","","","0.2534","0.301","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235573","11.689","0.0003","14.7288","0.0004","17.9191","0.0005","90","","90","","90","","3085.04","0.14","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","coppercitrate","","","- C8 H14 Cu N6 O8 -","- C8 H14 Cu N6 O8 -","- C64 H112 Cu8 N48 O64 -","8","1","","Ghosh, Raja; K. S., Asha; Pratik, Saied Md.; Datta, Ayan; Nath, Ramesh; Mandal, Sukhendu","Synthesis, structure, photocatalytic and magnetic properties of an oxo-bridged copper dimer","RSC Adv.","2014","4","41","21195","","10.1039/C4RA01886A","","","0.71073","MoKα","","0.0538","0.037","","","0.1156","0.129","","","","","","1.053","","","","has coordinates","233145","2020-10-21","18:00:00",""
"7235574","8.696","0.001","10.994","0.001","14.457","0.001","84.01","0.01","87.05","0.01","70.49","0.01","1295.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Hg N3 S4 -","- C25 H24 Hg N3 S4 -","- C50 H48 Hg2 N6 S8 -","2","1","","Srinivasan, Narayanaswamy; Thirumaran, Subbiah; Ciattini, Samuele","Effect of co-crystallization of ethanol, pyridine and 2,2′-bipyridine on molecular aggregation in bis(1,2,3,4-tetrahydroquinolinedithiocarbamato-S,S′)mercury(ii) and synthesis of HgS nanoparticles","RSC Adv.","2014","4","44","22971","","10.1039/C4RA01913J","","","0.7107","MoKα","","0.0718","0.0344","","","0.072","0.088","","","","","","1.001","","","","has coordinates","233147","2020-10-21","18:00:00",""
"7235575","16.706","0.001","7.386","0.001","19.914","0.001","90","","96.898","0.004","90","","2439.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20.5 H21.5 Hg N2 O0.25 S4 -","- C20.5 H20 Hg N2 O0.25 S4 -","- C82 H80 Hg4 N8 O S16 -","4","1","","Srinivasan, Narayanaswamy; Thirumaran, Subbiah; Ciattini, Samuele","Effect of co-crystallization of ethanol, pyridine and 2,2′-bipyridine on molecular aggregation in bis(1,2,3,4-tetrahydroquinolinedithiocarbamato-S,S′)mercury(ii) and synthesis of HgS nanoparticles","RSC Adv.","2014","4","44","22971","","10.1039/C4RA01913J","","","0.71069","MoKα","","0.1123","0.0594","","","0.17","0.2082","","","","","","1.072","","","","has coordinates","233147","2020-10-21","18:00:00",""
"7235576","8.899","0.001","10.782","0.001","18.88","0.001","74.64","0.01","77.36","0.01","87.72","0.01","1704.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32.5 H32.5 Hg1.5 N3.5 S6 -","- C32.5 H30 Hg1.5 N3.5 S6 -","- C65 H60 Hg3 N7 S12 -","2","1","","Srinivasan, Narayanaswamy; Thirumaran, Subbiah; Ciattini, Samuele","Effect of co-crystallization of ethanol, pyridine and 2,2′-bipyridine on molecular aggregation in bis(1,2,3,4-tetrahydroquinolinedithiocarbamato-S,S′)mercury(ii) and synthesis of HgS nanoparticles","RSC Adv.","2014","4","44","22971","","10.1039/C4RA01913J","","","0.71069","MoKα","","0.0935","0.0367","","","0.0795","0.0963","","","","","","0.926","","","","has coordinates,has disorder","233147","2020-10-21","18:00:00",""
"7235577","17.93","0.008","17.93","0.008","25.611","0.008","90","","90","","120","","7130","5","80","2","80","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C51.5 H35.4 Co3 N9 O10.7 -","- C51.492 H35.013 Co3 N9 O10.682 -","- C308.952 H210.078 Co18 N54 O64.092 -","6","0.333333","","Canaj, Angelos B.; Nodaraki, Lydia E.; Ślepokura, Katarzyna; Siczek, Milosz; Tzimopoulos, Demetrios I.; Lis, Tadeusz; Milios, Constantinos J.","A family of polynuclear cobalt complexes upon employment of an indeno-quinoxaline based oxime ligand","RSC Adv.","2014","4","44","23068","","10.1039/C4RA01914H","","","0.71073","MoKα","","0.17","0.0795","","","0.1355","0.1683","","","","","","1.022","","","","has coordinates,has disorder","233151","2020-10-21","18:00:00",""
"7235578","16.817","0.007","18.486","0.008","22.062","0.01","85.44","0.05","87.91","0.05","81.35","0.05","6757","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C145.3 H110 Co7 N27 O25.6 -","- C145.3 H102.8 Co7 N27 O25.6 -","- C290.6 H205.6 Co14 N54 O51.2 -","2","1","","Canaj, Angelos B.; Nodaraki, Lydia E.; Ślepokura, Katarzyna; Siczek, Milosz; Tzimopoulos, Demetrios I.; Lis, Tadeusz; Milios, Constantinos J.","A family of polynuclear cobalt complexes upon employment of an indeno-quinoxaline based oxime ligand","RSC Adv.","2014","4","44","23068","","10.1039/C4RA01914H","","","0.71073","MoKα","","0.3132","0.0618","","","0.0671","0.0848","","","","","","0.69","","","","has coordinates,has disorder","233151","2020-10-21","18:00:00",""
"7235579","18.982","0.005","23.662","0.006","25.681","0.006","77.95","0.03","73.89","0.03","72.97","0.03","10493","5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C218.45 H160.5 Cl2 Co10 N42 O39.8 -","- C218.45 H148 Cl2 Co10 N42 O38.4 -","- C436.9 H296 Cl4 Co20 N84 O76.8 -","2","1","","Canaj, Angelos B.; Nodaraki, Lydia E.; Ślepokura, Katarzyna; Siczek, Milosz; Tzimopoulos, Demetrios I.; Lis, Tadeusz; Milios, Constantinos J.","A family of polynuclear cobalt complexes upon employment of an indeno-quinoxaline based oxime ligand","RSC Adv.","2014","4","44","23068","","10.1039/C4RA01914H","","","0.71073","MoKα","","0.2025","0.1006","","","0.2487","0.3258","","","","","","1.052","","","","has coordinates,has disorder","233151","2020-10-21","18:00:00",""
"7235580","18.982","0.005","23.662","0.006","25.681","0.006","77.95","0.03","73.89","0.03","72.97","0.03","10493","5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C217.7 H160.1 Cl2 Co10.05 N41.85 O39.75 -","- C217.7 H147.65 Cl2 Co10.05 N41.85 O38.35 -","- C435.4 H295.3 Cl4 Co20.1 N83.7 O76.7 -","2","1","","Canaj, Angelos B.; Nodaraki, Lydia E.; Ślepokura, Katarzyna; Siczek, Milosz; Tzimopoulos, Demetrios I.; Lis, Tadeusz; Milios, Constantinos J.","A family of polynuclear cobalt complexes upon employment of an indeno-quinoxaline based oxime ligand","RSC Adv.","2014","4","44","23068","","10.1039/C4RA01914H","","","0.71073","MoKα","","0.2017","0.0999","","","0.247","0.3244","","","","","","1.047","","","","has coordinates,has disorder","233151","2020-10-21","18:00:00",""
"7235581","14.988","0.006","19.712","0.008","26.76","0.012","90","","90.86","0.05","90","","7905","6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C83 H82 Co4 N12 O16 -","- C83 H80 Co4 N12 O16 -","- C332 H320 Co16 N48 O64 -","4","0.5","","Canaj, Angelos B.; Nodaraki, Lydia E.; Ślepokura, Katarzyna; Siczek, Milosz; Tzimopoulos, Demetrios I.; Lis, Tadeusz; Milios, Constantinos J.","A family of polynuclear cobalt complexes upon employment of an indeno-quinoxaline based oxime ligand","RSC Adv.","2014","4","44","23068","","10.1039/C4RA01914H","","","0.71073","MoKα","","0.329","0.1198","","","0.1572","0.2307","","","","","","1.004","","","","has coordinates,has disorder","233151","2020-10-21","18:00:00",""
"7235582","12.45","0.003","20.763","0.005","10.045","0.003","90","","109.37","0.03","90","","2449.6","1.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 Co N5 O8 -","- C23 H30 Co N5 O8 -","- C92 H120 Co4 N20 O32 -","4","1","","Canaj, Angelos B.; Nodaraki, Lydia E.; Ślepokura, Katarzyna; Siczek, Milosz; Tzimopoulos, Demetrios I.; Lis, Tadeusz; Milios, Constantinos J.","A family of polynuclear cobalt complexes upon employment of an indeno-quinoxaline based oxime ligand","RSC Adv.","2014","4","44","23068","","10.1039/C4RA01914H","","","0.71073","MoKα","","0.0611","0.0386","","","0.0814","0.0853","","","","","","1.003","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235583","18.248","0.006","21.492","0.008","19.745","0.006","90","","92.82","0.03","90","","7734","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C75.9 H81.6 Co3 N14 O17.9 -","- C75.859 H81.436 Co3 N14 O17.859 -","- C303.436 H325.744 Co12 N56 O71.436 -","4","1","","Canaj, Angelos B.; Nodaraki, Lydia E.; Ślepokura, Katarzyna; Siczek, Milosz; Tzimopoulos, Demetrios I.; Lis, Tadeusz; Milios, Constantinos J.","A family of polynuclear cobalt complexes upon employment of an indeno-quinoxaline based oxime ligand","RSC Adv.","2014","4","44","23068","","10.1039/C4RA01914H","","","0.71073","MoKα","","0.1461","0.0775","","","0.1706","0.208","","","","","","1.019","","","","has coordinates,has disorder","233151","2020-10-21","18:00:00",""
"7235584","15.597","0.004","16.743","0.005","18","0.005","98.15","0.02","109.88","0.03","105.02","0.02","4130","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C166.8 H143.2 Cl2 Co8 N32 O37.8 -","- C166.8 H137.2 Cl2 Co8 N32 O37.8 -","- C166.8 H137.2 Cl2 Co8 N32 O37.8 -","1","0.5","","Canaj, Angelos B.; Nodaraki, Lydia E.; Ślepokura, Katarzyna; Siczek, Milosz; Tzimopoulos, Demetrios I.; Lis, Tadeusz; Milios, Constantinos J.","A family of polynuclear cobalt complexes upon employment of an indeno-quinoxaline based oxime ligand","RSC Adv.","2014","4","44","23068","","10.1039/C4RA01914H","","","0.71073","MoKα","","0.167","0.0698","","","0.1564","0.1787","","","","","","1.037","","","","has coordinates,has disorder","233151","2020-10-21","18:00:00",""
"7235585","15.941","0.006","16.82","0.007","17.005","0.005","113.14","0.03","106.62","0.03","103.07","0.03","3709","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C161 H112 Cl2 Co8 N32 O28 -","- C161 H106 Cl2 Co8 N32 O28 -","- C161 H106 Cl2 Co8 N32 O28 -","1","0.5","","Canaj, Angelos B.; Nodaraki, Lydia E.; Ślepokura, Katarzyna; Siczek, Milosz; Tzimopoulos, Demetrios I.; Lis, Tadeusz; Milios, Constantinos J.","A family of polynuclear cobalt complexes upon employment of an indeno-quinoxaline based oxime ligand","RSC Adv.","2014","4","44","23068","","10.1039/C4RA01914H","","","0.71073","MoKα","","0.185","0.0647","","","0.1067","0.1214","","","","","","1.023","","","","has coordinates,has disorder","233151","2020-10-21","18:00:00",""
"7235586","12.16","0.002","12.154","0.002","24.347","0.004","90","","96.593","0.004","90","","3574.5","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 N6 O3 -","- C41 H40 N6 O3 -","- C164 H160 N24 O12 -","4","1","","Yang, Meipan; Meng, Wenfei; Liu, Xiaojing; Su, Na; Zhou, Jia; Yang, Bingqin","A selective colorimetric and fluorescent chemosensor for Cu2+ in living cells","RSC Advances","2014","4","42","22288","","10.1039/c4ra01921k","","","0.71073","MoKα","","0.1842","0.0699","","","0.1134","0.1488","","","","","","1.052","","","","has coordinates","233154","2020-10-21","18:00:00",""
"7235587","9.3781","0.0001","8.1224","0.0001","11.7374","0.0001","90","","112.532","0.0014","90","","825.824","0.017","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N O6 -","- C15 H25 N O6 -","- C30 H50 N2 O12 -","2","1","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.033","0.0326","","0.0902","0.0896","0.0902","","","","","","1.005","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235588","9.64","0.0001","8.8771","0.0001","24.8424","0.0004","90","","98.6556","0.0014","90","","2101.68","0.05","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 Br N O5.5 -","- C20 H27 Br N O5.5 -","- C80 H108 Br4 N4 O22 -","4","2","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.0439","0.0418","","0.1029","0.1009","0.1029","","","","","","0.9968","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235589","8.9582","0.0001","10.6774","0.0001","9.5609","0.0001","90","","112.302","0.0015","90","","846.097","0.018","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 N O6 -","- C16 H27 N O6 -","- C32 H54 N2 O12 -","2","1","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.024","0.0234","","0.061","0.0601","0.061","","","","","","1.0058","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235590","10.9357","0.0002","9.2334","0.0002","11.0082","0.0002","90","","101.252","0.0015","90","","1090.17","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H28 Br N O5 -","- C21 H28 Br N O5 -","- C42 H56 Br2 N2 O10 -","2","1","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.0304","0.0292","","0.0767","0.0755","0.0767","","","","","","1.0016","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235591","9.0903","0.0001","9.5673","0.0001","24.6946","0.0001","90","","90","","90","","2147.68","0.03","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O5 S -","- C21 H29 N O5 S -","- C84 H116 N4 O20 S4 -","4","1","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.0214","0.0212","","0.0577","0.0575","0.0577","","","","","","1.0124","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235592","9.1567","0.0001","13.7873","0.0001","17.7687","0.0002","90","","90","","90","","2243.23","0.04","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O6 -","- C23 H33 N O6 -","- C92 H132 N4 O24 -","4","1","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.0286","0.028","","0.0745","0.0735","0.0744","","","","","","0.9939","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235593","10.9217","0.0001","13.2521","0.0001","15.2021","0.0001","90","","90","","90","","2200.28","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O6 -","- C23 H33 N O6 -","- C92 H132 N4 O24 -","4","1","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.0276","0.0265","","0.0678","0.067","0.0678","","","","","","1.0118","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235594","11.4055","0.0009","12.3528","0.0009","11.3243","0.0008","90","","102.23","0.004","90","","1559.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N5 O S -","- C16 H17 N5 O S -","- C64 H68 N20 O4 S4 -","4","1","","García-Rubiño, M. E.; Núñez-Carretero, M. C.; Choquesillo-Lazarte, D.; García-Ruiz, J. M.; Madrid, Yolanda; Campos, J. M.","Stereospecific alkylation of substituted adenines by the Mitsunobu coupling reaction under microwave-assisted conditions","RSC Adv.","2014","4","43","22425","","10.1039/C4RA01968G","","","1.54178","CuKα","","0.0612","0.0556","","","0.1532","0.1586","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235595","5.0547","0.0004","13.3237","0.001","23.2593","0.0018","90","","90","","90","","1566.5","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Cl N5 O S -","- C15 H14 Cl N5 O S -","- C60 H56 Cl4 N20 O4 S4 -","4","1","","García-Rubiño, M. E.; Núñez-Carretero, M. C.; Choquesillo-Lazarte, D.; García-Ruiz, J. M.; Madrid, Yolanda; Campos, J. M.","Stereospecific alkylation of substituted adenines by the Mitsunobu coupling reaction under microwave-assisted conditions","RSC Adv.","2014","4","43","22425","","10.1039/C4RA01968G","","","1.54178","CuKα","","0.0627","0.0506","","","0.1236","0.1349","","","","","","1.098","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235596","6.53","0.003","31.767","0.016","14.249","0.007","90","","94.555","0.012","90","","2946","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H15 N5 O S -","- C15 H15 N5 O S -","- C120 H120 N40 O8 S8 -","8","2","","García-Rubiño, M. E.; Núñez-Carretero, M. C.; Choquesillo-Lazarte, D.; García-Ruiz, J. M.; Madrid, Yolanda; Campos, J. M.","Stereospecific alkylation of substituted adenines by the Mitsunobu coupling reaction under microwave-assisted conditions","RSC Adv.","2014","4","43","22425","","10.1039/C4RA01968G","","","1.54178","CuKα","","0.077","0.055","","","0.1371","0.1637","","","","","","1.088","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235597","14.0099","0.0011","10.9631","0.0011","21.397","0.002","90","","105.274","0.002","90","","3170.3","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Br4 N2 O2 S4 -","- C28 H21.1 Br4 N2 O2 S4 -","- C112 H84.4 Br16 N8 O8 S16 -","4","1","","Pati, Palas Baran; Zade, Sanjio S.","Selective bromination of 2,5-bis(2-thienyl)pyrroles and solid-state polymerization through the β-carbon of pyrrole","RSC Adv.","2014","4","33","17022","","10.1039/C4RA01993H","","","0.71073","MoKα","","0.1102","0.0651","","","0.1733","0.2034","","","","","","1.039","","","","has coordinates","233160","2020-10-21","18:00:00",""
"7235598","32.762","0.007","10.724","0.002","13.937","0.003","90","","114.43","0.03","90","","4458.2","1.9","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H36 Cl0 Co2 N10 O8 -","- C50 H36 Co2 N10 O8 -","- C200 H144 Co8 N40 O32 -","4","1","","Hou, Ya Nan; Wang, Zhi Nan; Bai, Feng Ying; Guan, Qing Lin; Wang, Xuan; Zhang, Rui; Xing, Yong Heng","Three novel d7/d10 metal complexes with N-heterocyclic ligand of 2,6-bis(3-pyrazolyl)pyridine: synthesis, structure, surface photovoltage spectroscopy and photocatalytic activity","RSC Adv.","2014","4","41","21180","","10.1039/C4RA02015D","","","0.71073","MoKα","","0.1854","0.0698","","","0.1181","0.1529","","","","","","0.978","","","","has coordinates","233163","2020-10-21","18:00:00",""
"7235599","11.396","0.002","15.014","0.003","15.094","0.003","72.47","0.03","84.22","0.03","81.61","0.03","2431.9","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H39 Cl0 Co2 N10 O4 -","- C49 H39 Co2 N10 O4 -","- C98 H78 Co4 N20 O8 -","2","1","","Hou, Ya Nan; Wang, Zhi Nan; Bai, Feng Ying; Guan, Qing Lin; Wang, Xuan; Zhang, Rui; Xing, Yong Heng","Three novel d7/d10 metal complexes with N-heterocyclic ligand of 2,6-bis(3-pyrazolyl)pyridine: synthesis, structure, surface photovoltage spectroscopy and photocatalytic activity","RSC Adv.","2014","4","41","21180","","10.1039/C4RA02015D","","","0.71073","MoKα","","0.1403","0.0863","","","0.2504","0.2919","","","","","","1.055","","","","has coordinates","233163","2020-10-21","18:00:00",""
"7235600","10.941","0.002","12.616","0.003","17.363","0.004","105.61","0.03","102.34","0.03","90.47","0.03","2249.4","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H41 N10 O4 Zn2 -","- C50 H41 N10 O4 Zn2 -","- C100 H82 N20 O8 Zn4 -","2","1","","Hou, Ya Nan; Wang, Zhi Nan; Bai, Feng Ying; Guan, Qing Lin; Wang, Xuan; Zhang, Rui; Xing, Yong Heng","Three novel d7/d10 metal complexes with N-heterocyclic ligand of 2,6-bis(3-pyrazolyl)pyridine: synthesis, structure, surface photovoltage spectroscopy and photocatalytic activity","RSC Adv.","2014","4","41","21180","","10.1039/C4RA02015D","","","0.71073","MoKα","","0.1686","0.0894","","","0.2258","0.2715","","","","","","1.024","","","","has coordinates,has disorder","233163","2020-10-21","18:00:00",""
"7235601","17.7884","0.0012","7.564","0.0005","14.5599","0.001","90","","92.518","0.001","90","","1957.2","0.2","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cl Cr N3 -","- C23 H19 Cl Cr N3 -","- C92 H76 Cl4 Cr4 N12 -","4","1","","Liu, Jing-Yu; Tao, Ping; Wang, Yong-Xia; Li, Yue-Sheng","Highly active half-sandwich chromium(iii) catalysts bearing bis(imino)pyrrole ligands for ethylene (co)polymerization","RSC Adv.","2014","4","37","19433","","10.1039/C4RA02039A","","","0.71073","MoKα","","0.0417","0.0363","","","0.094","0.0978","","","","","","1.036","","","","has coordinates","233165","2020-10-21","18:00:00",""
"7235602","11.4826","0.0009","9.7676","0.0008","24.3114","0.0019","90","","98.283","0.001","90","","2698.3","0.4","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cl Cr N3 -","- C27 H27 Cl Cr N3 -","- C108 H108 Cl4 Cr4 N12 -","4","1","","Liu, Jing-Yu; Tao, Ping; Wang, Yong-Xia; Li, Yue-Sheng","Highly active half-sandwich chromium(iii) catalysts bearing bis(imino)pyrrole ligands for ethylene (co)polymerization","RSC Adv.","2014","4","37","19433","","10.1039/C4RA02039A","","","0.71073","MoKα","","0.0865","0.0599","","","0.1534","0.1661","","","","","","1.043","","","","has coordinates","233165","2020-10-21","18:00:00",""
"7235603","18.7272","0.0013","11.8149","0.0008","29.4","0.002","90","","90","","90","","6505","0.8","185","2","185","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H43 Cl Cr N3 -","- C35 H43 Cl Cr N3 -","- C280 H344 Cl8 Cr8 N24 -","8","1","","Liu, Jing-Yu; Tao, Ping; Wang, Yong-Xia; Li, Yue-Sheng","Highly active half-sandwich chromium(iii) catalysts bearing bis(imino)pyrrole ligands for ethylene (co)polymerization","RSC Adv.","2014","4","37","19433","","10.1039/C4RA02039A","","","0.71073","MoKα","","0.121","0.0742","","","0.1683","0.1978","","","","","","1.018","","","","has coordinates","233165","2020-10-21","18:00:00",""
"7235604","11.264","0.002","7.0576","0.0014","22.435","0.005","90","","93.75","0.03","90","","1779.7","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Fu, Meiqin; Lin, Dongen; Deng, Yuanfu; Zhang, Xiao-Qi; Liu, Yanchu; Lai, Chunsong; Zeng, Wei","Pd-catalyzed tandem homocoupling–aldol–dehydration of ortho-acylphenyl iodides","RSC Adv.","2014","4","45","23595","","10.1039/C4RA02055C","","","0.71073","MoKα","","0.1286","0.0535","","","0.1488","0.2021","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235605","8.4369","0.001","12.6589","0.0013","15.5346","0.0016","75.851","0.006","89.973","0.007","83.469","0.007","1597.7","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","2","","Boominathan, Muthusamy; Nagaraj, Muthupandi; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Three component synthesis of 2-oxindole via sequential Michael addition, intramolecular cyclization and aromatization","RSC Advances","2014","4","36","18549","","10.1039/c4ra02091j","","","1.54178","CuKα","","0.0825","0.0571","","","0.1642","0.1867","","","","","","1.073","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235606","9.596","0.004","11.669","0.005","17.743","0.008","90","","90","","90","","1986.8","1.5","293.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 N O3 -","- C20 H29 N O3 -","- C80 H116 N4 O12 -","4","1","","Sarmah, Barnali; Baishya, Gakul; Baruah, Rajani K.","First example of a Prins–Ritter reaction on terpenoids: a diastereoselective route to novel 4-amido-octahydro-2H-chromenes","RSC Advances","2014","4","43","22387","","10.1039/c4ra02124j","","","0.71075","MoKα","","","0.0811","","","","0.0914","","","","","","3.532","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235607","16.6545","0.0016","16.6545","0.0016","16.3362","0.0018","90","","90","","90","","4531.2","0.8","113","2","113","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H9 Cu N3 O3 -","- C10 H9 Cu N3 O3 -","- C160 H144 Cu16 N48 O48 -","16","1","","Hawes, Chris S.; Kruger, Paul E.","Preparation of open and closed forms of the lvt network with Cu(ii) complexes of structurally related 1,2-diazole ligands","RSC Advances","2014","4","30","15770","","10.1039/C4RA02147A","","","0.71073","MoKα","","0.0876","0.0455","","","0.0931","0.1097","","","","","","1.019","","","","has coordinates","233172","2020-10-21","18:00:00",""
"7235608","18.0584","0.0008","18.0584","0.0008","18.3413","0.0011","90","","90","","90","","5981.2","0.5","113","2","113","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C9 H11 Cu N3 O3 -","- C9 H11 Cu N3 O3 -","- C144 H176 Cu16 N48 O48 -","16","1","","Hawes, Chris S.; Kruger, Paul E.","Preparation of open and closed forms of the lvt network with Cu(ii) complexes of structurally related 1,2-diazole ligands","RSC Advances","2014","4","30","15770","","10.1039/C4RA02147A","","","0.71073","MoKα","","0.0702","0.0651","","","0.1589","0.162","","","","","","1.206","","","","has coordinates","233172","2020-10-21","18:00:00",""
"7235609","15.1675","0.0012","20.323","0.002","20.135","0.003","90","","111.855","0.009","90","","5760.5","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H164 N2 O32 S2 V8 -","- C92 H164 N2 O32 S2 V8 -","- C184 H328 N4 O64 S4 V16 -","2","0.5","","Ghorai, Samir; Mukherjee, Chandan","Synthesis and characterization of a tetraradical-containing octanuclear vanadium cluster formed via ligand C‒N bond breaking and C‒O bond making","RSC Advances","2014","4","47","24698","","10.1039/c4ra02159b","","","0.71073","MoKα","","0.0895","0.0553","","","0.1242","0.1411","","","","","","1.068","","","","has coordinates,has disorder","233174","2020-10-21","18:00:00",""
"7235610","17.4674","0.0016","22.482","0.002","9.5117","0.0009","90","","90.222","0.006","90","","3735.2","0.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C176 H160 O32 -","8","2","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser–Eglinton–Hay sp–sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.0921","0.0591","","","0.1451","0.1601","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235611","11.383","0.003","11.543","0.003","17.587","0.005","90","","97.626","0.013","90","","2290.4","1.1","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 O6 -","- C28 H20 O6 -","- C112 H80 O24 -","4","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser–Eglinton–Hay sp–sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.0603","0.0391","","","0.0972","0.1095","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235612","8.867","0.003","16.757","0.005","14.8","0.005","90","","91.21","0.007","90","","2198.6","1.2","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O4 -","- C28 H24 O4 -","- C112 H96 O16 -","4","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser–Eglinton–Hay sp–sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.0504","0.0379","","","0.1081","0.1138","","","","","","1.086","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235613","8.903","0.004","23.11","0.01","10.38","0.005","90","","108.38","0.01","90","","2026.7","1.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C96 H88 O16 -","4","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser–Eglinton–Hay sp–sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.0773","0.0464","","","0.1127","0.1309","","","","","","1.015","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235614","4.856","0.003","53.09","0.04","7.51","0.005","90","","93.902","0.018","90","","1932","2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C96 H80 O16 -","4","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser–Eglinton–Hay sp–sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","","","0.1366","0.0797","","","","0.2365","","","","","","1.1283","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235615","5.975","0.007","10.756","0.013","16.56","0.02","73.702","0.014","87.212","0.014","83.25","0.02","1014","2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C48 H48 O8 -","2","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser–Eglinton–Hay sp–sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.3118","0.0821","","","0.2199","0.2846","","","","","","1.005","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235616","20.0985","0.0011","8.38","0.0004","12.1731","0.0006","90","","91.639","0.002","90","","2049.42","0.18","298","2","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O5 -","- C24 H24 O5 -","- C96 H96 O20 -","4","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser–Eglinton–Hay sp–sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.1312","0.1097","","","0.3576","0.3896","","","","","","1.575","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235617","18.839","0.0008","13.5066","0.0006","9.0088","0.0003","90","","90","","90","","2292.3","0.16","298","2","298","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C26 H28 O6 -","- C26 H28 O6 -","- C104 H112 O24 -","4","0.5","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser–Eglinton–Hay sp–sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.085","0.0567","","","0.1564","0.177","","","","","","1.065","","","","has coordinates,has disorder","296814","2024-12-10","08:46:17",""
"7235618","8.9306","0.0005","13.0866","0.0008","19.8566","0.0011","90","","90","","90","","2320.7","0.2","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 O8 -","- C26 H24 O8 -","- C104 H96 O32 -","4","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser–Eglinton–Hay sp–sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.0729","0.047","","","0.1068","0.1193","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235619","15.205","0.006","16.28","0.007","10.936","0.005","90","","107.697","0.009","90","","2579","1.9","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 O4 -","- C30 H32 O4 -","- C120 H128 O16 -","4","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser–Eglinton–Hay sp–sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MOKα","","0.1051","0.0529","","","0.1295","0.1578","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235620","8.6914","0.0009","12.4846","0.0014","25.241","0.003","77.626","0.003","87.992","0.004","79.519","0.004","2630.6","0.5","298","2","298","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H32 O5 -","- C30 H32 O5 -","- C120 H128 O20 -","4","2","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser‒Eglinton‒Hay sp‒sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.2986","0.0712","","","0.1421","0.2264","","","","","","0.906","","","","has coordinates","233177","2020-10-21","18:00:00",""
"7235621","10.4541","0.001","17.4437","0.0017","11.0894","0.001","90","","104.244","0.005","90","","1960.1","0.3","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C88 H92 N4 O20 -","4","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser–Eglinton–Hay sp–sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.0843","0.0629","","","0.1675","0.1834","","","","","","1.067","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235622","9.5532","0.0005","24.2453","0.0013","9.5232","0.0004","90","","90","","90","","2205.77","0.19","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H26 O5 S -","- C24 H26 O5 S -","- C96 H104 O20 S4 -","4","0.5","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser–Eglinton–Hay sp–sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.1507","0.0515","","","0.0945","0.1232","","","","","","0.959","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235623","8.9442","0.0009","9.7734","0.001","14.2491","0.0012","85.521","0.005","75.471","0.005","75.776","0.005","1168.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 O4 S -","- C26 H30 O4 S -","- C52 H60 O8 S2 -","2","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser–Eglinton–Hay sp–sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.2061","0.104","","","0.3027","0.3841","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235624","6.2699","0.0008","18.427","0.002","8.7769","0.0012","90","","90.755","0.002","90","","1014","0.2","143","2","143","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H34 B N O3 S -","- C18 H34 B N O3 S -","- C36 H68 B2 N2 O6 S2 -","2","1","","Chen, Jinbo; Chen, Ling-yan; Zheng, Yue; Sun, Zhihua","Asymmetric synthesis of stable α-aminoboronic esters catalyzed by N-heterocylic carbene and copper(i) chloride","RSC Advances","2014","4","40","21131","","10.1039/c4ra02229g","","","0.71073","MoKα","","0.0647","0.0422","","","0.0817","0.0891","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235625","16.207","0.005","25.341","0.005","29.606","0.005","90","0.005","92.522","0.005","90","0.005","12147","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H96 As2 Cu4 N36 O74 W18 -","- C48 H72 As2 Cu4 N36 O64 W18 -","- C192 H288 As8 Cu16 N144 O256 W72 -","4","0.5","","Sun, Wenlong; Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li; Zhang, Zhuanfang","A new 3D framework based on reduced Wells-Dawson arsenotungstates as eight-connected linkages","RSC Adv.","2014","4","47","24755","","10.1039/C4RA02239D","","","0.71069","MoKα","","0.0811","0.059","","","0.1519","0.1639","","","","","","0.901","","","","has coordinates,has disorder","233182","2020-10-21","18:00:00",""
"7235626","10.187","0.003","13.377","0.004","17.241","0.005","101.129","0.008","100.063","0.007","93.506","0.005","2258.8","1.2","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H86 Cd3 N24 O30 S2 -","- C64 H66 Cd3 N24 O30 S2 -","- C64 H66 Cd3 N24 O30 S2 -","1","0.5","","Ding, Jian-Gang; Yin, Chao; Zheng, Ling-Yun; Han, Shan-Shan; Li, Bao-Long; Wu, Bing","Tuning cadmium coordination architectures using 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene and sulfoisophthalate","RSC Advances","2014","4","47","24594","","10.1039/c4ra02291b","","","0.71075","MoKα","","0.1095","0.0782","","","0.1951","0.219","","","","","","1.094","","","","has coordinates","233184","2020-10-21","18:00:00",""
"7235627","10.3437","0.0004","13.303","0.0006","13.8717","0.0005","61.453","0.004","83.117","0.003","88.19","0.003","1663.91","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H62 Cd3 N18 O24 S2 -","- C52 H62 Cd3 N18 O24 S2 -","- C52 H62 Cd3 N18 O24 S2 -","1","0.5","","Ding, Jian-Gang; Yin, Chao; Zheng, Ling-Yun; Han, Shan-Shan; Li, Bao-Long; Wu, Bing","Tuning cadmium coordination architectures using 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene and sulfoisophthalate","RSC Advances","2014","4","47","24594","","10.1039/c4ra02291b","","","0.71073","MoKα","","0.0502","0.0401","","","0.0892","0.094","","","","","","1.033","","","","has coordinates","233184","2020-10-21","18:00:00",""
"7235628","10.0501","0.0016","17.049","0.003","18.433","0.003","104.149","0.004","93.545","0.003","90.484","0.004","3055.8","0.9","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 Cd3 N12 O26 S2 -","- C40 H50 Cd3 N12 O26 S2 -","- C80 H100 Cd6 N24 O52 S4 -","2","1","","Ding, Jian-Gang; Yin, Chao; Zheng, Ling-Yun; Han, Shan-Shan; Li, Bao-Long; Wu, Bing","Tuning cadmium coordination architectures using 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene and sulfoisophthalate","RSC Advances","2014","4","47","24594","","10.1039/c4ra02291b","","","0.71075","MoKα","","0.0716","0.0548","","","0.1485","0.1597","","","","","","1.066","","","","has coordinates,has disorder","233184","2020-10-21","18:00:00",""
"7235629","8.6566","0.0003","10.9696","0.0004","35.7255","0.0011","95.4889","0.0013","92.2032","0.0014","97.1362","0.0015","3346.4","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H44 Mo O3 Si -","- C37 H44 Mo O3 Si -","- C148 H176 Mo4 O12 Si4 -","4","2","","Kanno, Yuto; Komuro, Takashi; Tobita, Hiromi","Insertion of carbon monoxide into an aldehyde CO double bond induced by an (η3-α-silabenzyl)carbonylmolybdenum complex","RSC Adv.","2014","4","37","19068","","10.1039/C4RA02308K","","","1.54178","CuKα","","0.074","0.0732","","","0.1671","0.1674","","","","","","1.361","","","","has coordinates","233186","2020-10-21","18:00:00",""
"7235630","12.8069","0.0003","13.1036","0.0004","21.5568","0.0007","90","","90.7174","0.0004","90","","3617.3","0.18","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H46 Mo O4 Si -","- C39 H46 Mo O4 Si -","- C156 H184 Mo4 O16 Si4 -","4","2","","Kanno, Yuto; Komuro, Takashi; Tobita, Hiromi","Insertion of carbon monoxide into an aldehyde CO double bond induced by an (η3-α-silabenzyl)carbonylmolybdenum complex","RSC Adv.","2014","4","37","19068","","10.1039/C4RA02308K","","","0.71069","MoKα","","0.0853","0.0681","","","0.1278","0.1365","","","","","","1.149","","","","has coordinates","233186","2020-10-21","18:00:00",""
"7235631","14.9211","0.0006","9.5163","0.0002","23.0981","0.0009","90","","99.446","0.003","90","","3235.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H49 N O4 -","- C36 H49 N O4 -","- C144 H196 N4 O16 -","4","1","","Salehzadeh, Hamid; Nematollahi, Davood","A non-covalent complex based on catechol–benzoxazole moieties: electrochemical synthesis and characterization","RSC Adv.","2014","4","46","24207","","10.1039/C4RA02340D","","","0.71073","MoKα","","0.0843","0.0674","","","0.1554","0.1631","","","","","","1.19","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235632","4.8448","0.0004","9.885","0.0007","14.1315","0.0013","78.203","0.004","83.713","0.004","88.665","0.005","658.49","0.09","193","2","193","2","","","","","","","","7","P 1","P 1","1","","","","- C20 H20 F6 N8 O3 Pt S2 -","- C20 H20 F6 N8 O3 Pt S2 -","- C20 H20 F6 N8 O3 Pt S2 -","1","1","","Septiadi, Dedy; Aliprandi, Alessandro; Mauro, Matteo; De Cola, Luisa","Bio-imaging with neutral luminescent Pt(ii) complexes showing metal⋯metal interactions","RSC Adv.","2014","4","49","25709","","10.1039/C4RA02351J","","","0.71073","MoKα","","0.0471","0.0437","","","0.1178","0.1317","","","","","","1.189","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235633","23.051","0.005","5.624","0.005","17.451","0.005","90","0.005","121.026","0.005","90","0.005","1938.7","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N4 O6 -","- C18 H26 N4 O6 -","- C72 H104 N16 O24 -","4","0.5","","Nagapandiselvi, P.; Baby, C.; Gopalakrishnan, R.","Self-assembled supramolecular structure of N,N,N′,N′-tetramethylethylenediammonium-bis-(4-nitrophenolate): synthesis, single crystal growth and photo physical properties","RSC Adv.","2014","4","43","22350","","10.1039/C4RA02393E","","","0.71073","MoKα","","0.0551","0.0428","","","0.113","0.1232","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235634","13.0741","0.0018","4.2988","0.0004","24.974","0.003","90","","100.04","0.011","90","","1382.1","0.3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 I N3 O -","- C16 H10 I N3 O -","- C64 H40 I4 N12 O4 -","4","1","","Ghosh, Suman Kr; Nagarajan, Rajagopal","NIS-mediated regioselective amidation of indole with quinazolinone and pyrimidone","RSC Adv.","2014","4","39","20136","","10.1039/C4RA02417F","","","0.71073","MoKα","","0.0661","0.0526","","","0.148","0.1641","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235635","8.3989","0.0018","12.9656","0.0014","13.6993","0.0018","90","","101.702","0.016","90","","1460.8","0.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Ghosh, Suman Kr; Nagarajan, Rajagopal","NIS-mediated regioselective amidation of indole with quinazolinone and pyrimidone","RSC Adv.","2014","4","39","20136","","10.1039/C4RA02417F","","","0.71073","MoKα","","0.0859","0.0669","","","0.1994","0.21","","","","","","1.191","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235636","10.8278","0.0007","11.3669","0.0008","13.0687","0.0006","100.716","0.005","106.227","0.005","104.477","0.006","1437.64","0.17","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","2","","Ghosh, Suman Kr; Nagarajan, Rajagopal","NIS-mediated regioselective amidation of indole with quinazolinone and pyrimidone","RSC Adv.","2014","4","39","20136","","10.1039/C4RA02417F","","","0.71073","MoKα","","0.0722","0.0472","","","0.1128","0.1322","","","","","","0.955","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235637","10.83","0.003","12.205","0.003","12.209","0.003","102.677","0.004","106.686","0.004","110.923","0.004","1347.2","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N3 O -","- C17 H13 N3 O -","- C68 H52 N12 O4 -","4","2","","Ghosh, Suman Kr; Nagarajan, Rajagopal","NIS-mediated regioselective amidation of indole with quinazolinone and pyrimidone","RSC Adv.","2014","4","39","20136","","10.1039/C4RA02417F","","","0.71073","MoKα","","0.0551","0.0494","","","0.1267","0.1366","","","","","","0.804","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235638","18.9964","0.0013","14.4609","0.001","19.8858","0.001","90","","120.723","0.005","90","","4696","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-amino-5-cyano-3-phenylpyridin-2-yl)-4-methyl-N-phenylbenzenesulfonamide","","- C25.5 H23 N4 O3.5 S -","- C25.5 H23 N4 O3.5 S -","- C204 H184 N32 O28 S8 -","8","2","","Zhou, Fenguo; Zhang, Ning; Xin, Xiaoqing; Zhang, Xun; Liang, Yongjiu; Zhang, Rui; Dong, Dewen","Synthesis of multi-substituted 4-aminopyridines via ring-opening and recyclization reactions of 2-iminopyridines","RSC Adv.","2014","4","35","18198","","10.1039/C4RA02428A","","","0.71073","MoKα","","0.1239","0.0652","","","0.1178","0.1349","","","","","","1.008","","","","has coordinates","233195","2020-10-21","18:00:00",""
"7235639","11.546","0.003","13.445","0.003","17.259","0.004","96.731","0.004","99.473","0.004","113.714","0.004","2369.1","1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","4-amino-1,5-diphenyl-6-(tosylimino)-1,6-dihydropyridine-3-carboxamide","","- C25.5 H22.75 N4 O3.25 S -","- C25.5 H22.75 N4 O3.25 S -","- C102 H91 N16 O13 S4 -","4","2","","Zhou, Fenguo; Zhang, Ning; Xin, Xiaoqing; Zhang, Xun; Liang, Yongjiu; Zhang, Rui; Dong, Dewen","Synthesis of multi-substituted 4-aminopyridines via ring-opening and recyclization reactions of 2-iminopyridines","RSC Adv.","2014","4","35","18198","","10.1039/C4RA02428A","","","0.71073","MoKα","","0.0767","0.0556","","","0.1495","0.163","","","","","","0.971","","","","has coordinates","233195","2020-10-21","18:00:00",""
"7235640","9.031","0.003","16.026","0.005","15.958","0.005","90","","98.402","0.006","90","","2284.8","1.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(4-amino-5-cyano-3-phenylpyridin-2-yl)-4-methyl-N-phenylbenzenesulfonamide","","- C25 H20 N4 O2 S -","- C25 H20 N4 O2 S -","- C100 H80 N16 O8 S4 -","4","1","","Zhou, Fenguo; Zhang, Ning; Xin, Xiaoqing; Zhang, Xun; Liang, Yongjiu; Zhang, Rui; Dong, Dewen","Synthesis of multi-substituted 4-aminopyridines via ring-opening and recyclization reactions of 2-iminopyridines","RSC Adv.","2014","4","35","18198","","10.1039/C4RA02428A","","","0.71073","MoKα","","0.1351","0.0554","","","0.1055","0.1354","","","","","","0.948","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235641","4.8868","0.0005","16.136","0.003","19.0524","0.0016","90","","90","","90","","1502.3","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-","","- C23 H14 O -","- C23 H14 O -","- C92 H56 O4 -","4","1","","Prakash Rao, H. Surya; Vijjapu, Satish","Synthesis and photochromic properties of benzofuran–phenanthrene and benzofuran–pyrene hybrids","RSC Adv.","2014","4","49","25747","","10.1039/C4RA02435D","","","0.7107","MoKα","","0.1361","0.0745","","","0.1847","0.2324","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235642","8.6817","0.0005","10.0211","0.0006","12.9825","0.0009","109.182","0.006","97.305","0.005","99.853","0.005","1030.43","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N O5 -","- C26 H19 N O5 -","- C52 H38 N2 O10 -","2","1","","Prakash Rao, H. Surya; Vijjapu, Satish","Synthesis and photochromic properties of benzofuran–phenanthrene and benzofuran–pyrene hybrids","RSC Adv.","2014","4","49","25747","","10.1039/C4RA02435D","","","0.71073","MoKα","","0.0844","0.0547","","","0.1344","0.1535","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235643","3.7653","0.0001","17.7911","0.0004","16.0214","0.0003","90","","92.874","0.002","90","","1071.9","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F N2 O -","- C14 H9 F N2 O -","- C56 H36 F4 N8 O4 -","4","1","","Petiot, Pauline; Dansereau, Julien; Gagnon, Alexandre","Copper-catalyzed N-arylation of azoles and diazoles using highly functionalized trivalent organobismuth reagents","RSC Adv.","2014","4","42","22255","","10.1039/C4RA02467B","","","1.54178","CuKα","","0.0682","0.0583","","","0.1595","0.1657","","","","","","1.193","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235644","7.2831","0.0002","12.4744","0.0003","16.0184","0.0004","90","","90","","90","","1455.31","0.06","173","0.3","173","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O7 -","- C16 H14 O7 -","- C64 H56 O28 -","4","1","","Xiong, Hui; Xiao, Gao-Keng; Chen, Guo-Dong; Chen, He-Ru; Hu, Dan; Li, Xiao-Xia; Zhong, Shi-Wei; Guo, Liang-Dong; Yao, Xin-Sheng; Gao, Hao","Sporormiellin A, the first tetrahydrofuran-fused furochromone with an unprecedented tetracyclic skeleton from Sporormiella minima","RSC Adv.","2014","4","46","24295","","10.1039/C4RA02491E","","","1.54178","CuKα","","0.0385","0.0363","","","0.0966","0.0991","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235645","12.9","0.0012","14.6334","0.0014","16.944","0.0016","87.112","0.002","84.698","0.002","74.154","0.002","3062.8","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H61 Br4.03 N4 O10 S2 -","- C62 H61 Br4.03 N4 O10 S2 -","- C124 H122 Br8.06 N8 O20 S4 -","2","1","","Banothu, Janardhan; Khanapur, Manjulatha; Basavoju, Srinivas; Bavantula, Rajitha; Narra, Muralikrishna; Abbagani, Sadanandam","Synthesis, characterization and biological evaluation of fused thiazolo[3,2-a]pyrimidine derivatives","RSC Advances","2014","4","44","22866","","10.1039/c4ra02514h","","","0.71073","MoKα","","0.0845","0.0454","","","0.1059","0.1218","","","","","","1.016","","","","has coordinates","233201","2020-10-21","18:00:00",""
"7235646","11.5631","0.0018","15.924","0.003","8.8842","0.0014","90","","102.048","0.002","90","","1599.8","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-(imidazolidin-2-ylidene)-2-((4-methoxyphenyl)thio)-1-phenylethanone","2-(imidazolidin-2-ylidene)-2-((4-methoxyphenyl)thio)-1-phenylethanone","","- C18 H18 N2 O2 S -","- C18 H18 N2 O2 S -","- C72 H72 N8 O8 S4 -","4","1","","Jiang, Xiu-Yang; Liu, Zhi-Cheng; Fang, Li; Yan, Sheng-Jiao; Lin, Jun","Construction of C(sp2)–S and C(sp2)–Se bonds via a silver(i)-mediated coupling reaction of heterocyclic ketene aminals with diaryl dichalcogenides","RSC Adv.","2014","4","50","26389","","10.1039/C4RA02519A","","","0.71073","MoKα","","0.0963","0.0476","","","0.1024","0.1267","","","","","","0.926","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235647","12.2168","0.0005","8.6679","0.0003","12.9252","0.0005","90","","98.611","0.002","90","","1353.27","0.09","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C17 H21 N -","- C17 H21 N -","- C68 H84 N4 -","4","1","","Marquise, Nada; Bretel, Guillaume; Lassagne, Frédéric; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Gros, Philippe C.; Mongin, Florence","Deproto-metallation using mixed lithium–zinc and lithium–copper bases and computed CH acidity of 2-substituted quinolines","RSC Adv.","2014","4","38","19602","","10.1039/C4RA02583K","","x-ray","0.71073","MoKα","","0.0546","0.0406","","","0.107","0.1166","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235648","11.1278","0.0003","12.2969","0.0004","18.309","0.0006","90","","90","","90","","2505.36","0.13","150","2","150","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C15 H10 I N -","- C15 H10 I N -","- C120 H80 I8 N8 -","8","1","","Marquise, Nada; Bretel, Guillaume; Lassagne, Frédéric; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Gros, Philippe C.; Mongin, Florence","Deproto-metallation using mixed lithium–zinc and lithium–copper bases and computed CH acidity of 2-substituted quinolines","RSC Adv.","2014","4","38","19602","","10.1039/C4RA02583K","","x-ray","0.71073","MoKα","","0.042","0.0295","","","0.0607","0.0656","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235649","6.0678","0.0002","9.6385","0.0003","19.7538","0.0005","90","","94.117","0.001","90","","1152.31","0.06","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 I N S -","- C13 H8 I N S -","- C52 H32 I4 N4 S4 -","4","1","","Marquise, Nada; Bretel, Guillaume; Lassagne, Frédéric; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Gros, Philippe C.; Mongin, Florence","Deproto-metallation using mixed lithium–zinc and lithium–copper bases and computed CH acidity of 2-substituted quinolines","RSC Adv.","2014","4","38","19602","","10.1039/C4RA02583K","","x-ray","0.71073","MoKα","","0.0239","0.0207","","","0.0457","0.0469","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235650","4.1495","0.0002","12.4526","0.0005","25.0266","0.0009","90","","90.217","0.002","90","","1293.17","0.09","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 I2 N S -","- C13 H7 I2 N S -","- C52 H28 I8 N4 S4 -","4","1","","Marquise, Nada; Bretel, Guillaume; Lassagne, Frédéric; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Gros, Philippe C.; Mongin, Florence","Deproto-metallation using mixed lithium–zinc and lithium–copper bases and computed CH acidity of 2-substituted quinolines","RSC Adv.","2014","4","38","19602","","10.1039/C4RA02583K","","x-ray","0.71073","MoKα","","0.0323","0.0259","","","0.0698","0.0944","","","","","","1.311","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235651","7.6161","0.0004","10.4578","0.0004","20.7837","0.0008","90","","98.336","0.002","90","","1637.88","0.12","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl N O -","- C22 H14 Cl N O -","- C88 H56 Cl4 N4 O4 -","4","1","","Marquise, Nada; Bretel, Guillaume; Lassagne, Frédéric; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Gros, Philippe C.; Mongin, Florence","Deproto-metallation using mixed lithium–zinc and lithium–copper bases and computed CH acidity of 2-substituted quinolines","RSC Adv.","2014","4","38","19602","","10.1039/C4RA02583K","","x-ray","0.71073","MoKα","","0.0541","0.0402","","","0.0924","0.099","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235652","12.2577","0.0004","7.6576","0.0002","20.6631","0.0007","90","","102.237","0.001","90","","1895.47","0.1","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Cl N O -","- C26 H16 Cl N O -","- C104 H64 Cl4 N4 O4 -","4","1","","Marquise, Nada; Bretel, Guillaume; Lassagne, Frédéric; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Gros, Philippe C.; Mongin, Florence","Deproto-metallation using mixed lithium–zinc and lithium–copper bases and computed CH acidity of 2-substituted quinolines","RSC Adv.","2014","4","38","19602","","10.1039/C4RA02583K","","x-ray","0.71073","MoKα","","0.0598","0.043","","","0.1087","0.1203","","","","","","1.008","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235653","11.9851","0.0004","8.0059","0.0003","16.6683","0.0008","90","","110.626","0.001","90","","1496.83","0.1","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 N O -","- C22 H13 N O -","- C88 H52 N4 O4 -","4","1","","Marquise, Nada; Bretel, Guillaume; Lassagne, Frédéric; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Gros, Philippe C.; Mongin, Florence","Deproto-metallation using mixed lithium–zinc and lithium–copper bases and computed CH acidity of 2-substituted quinolines","RSC Adv.","2014","4","38","19602","","10.1039/C4RA02583K","","x-ray","0.71073","MoKα","","0.0571","0.0422","","","0.107","0.1158","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235654","12.3309","0.0007","12.331","","12.331","","90","","90","","90","","1874.96","0.11","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C3 H7 Mn N O6 -","- C3 H7.8 Mn N O6 -","- C24 H62.4 Mn8 N8 O48 -","8","0.166667","","Liu, Jian-Qiang; Wu, Jian; Wang, Jun; Lu, Lu; Daiguebonne, Carole; Calvez, Guillaume; Guillou, Olivier; Sakiyama, Hiroshi; Weng, Ng Seik; Zeller, Matthias","Temperature identification on two 3D Mn(ii) metal‒organic frameworks: syntheses, adsorption and magnetism","RSC Advances","2014","4","39","20605","","10.1039/c4ra02609h","","","0.71073","MoKα","","0.0606","0.0556","","","0.1743","0.2017","","","","","","1.233","","","","has coordinates,has disorder","233205","2020-10-21","18:00:00",""
"7235655","8.9042","0.0011","12.7757","0.0016","9.2004","0.0011","90","","90","","90","","1046.6","0.2","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15.33 Mn N O6 -","- C7 H15.33 Mn N O6 -","- C28 H61.32 Mn4 N4 O24 -","4","0.5","","Liu, Jian-Qiang; Wu, Jian; Wang, Jun; Lu, Lu; Daiguebonne, Carole; Calvez, Guillaume; Guillou, Olivier; Sakiyama, Hiroshi; Weng, Ng Seik; Zeller, Matthias","Temperature identification on two 3D Mn(ii) metal‒organic frameworks: syntheses, adsorption and magnetism","RSC Advances","2014","4","39","20605","","10.1039/c4ra02609h","","","0.71073","MoKα","","0.021","0.0198","","","0.0533","0.0539","","","","","","1.209","","","","has coordinates,has disorder","233205","2020-10-21","18:00:00",""
"7235656","12.8591","0.0002","14.2792","0.0002","15.229","0.0002","90","","90","","90","","2796.31","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2,3,4-Tri-<i>O</i>-acetyl-β-L-rhamnopyranosyl)-3,3-diphenylindolin-2-one","","- C32 H31 N O8 -","- C32 H31 N O8 -","- C128 H124 N4 O32 -","4","1","","Kleeblatt, Dennis; Cordes, Christoph A.; Lebrenz, Philipp; Hein, Martin; Feist, Holger; Matin, Abdul; Raza, Rabia; Iqbal, Jamshed; Munshi, Omar; Rahman, Qamar; Villinger, Alexander; Langer, Peter","Synthesis and antiproliferative activity of N-glycosyl-3,3-diaryloxindoles","RSC Advances","2014","4","44","22828","","10.1039/c4ra02627f","","","0.71073","MoKα","","0.0601","0.04","","","0.0868","0.094","","","","","","1.052","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235657","20.1061","0.0007","12.6303","0.0003","21.1101","0.0007","90","","110.769","0.004","90","","5012.5","0.3","149.9","","149.9","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 Dy2 K8 Na4 O110 Si2 W22 -","- C4 Dy2 K8 Na4 O110 Si2 W22 -","- C8 Dy4 K16 Na8 O220 Si4 W44 -","2","0.5","","Saini, Mukesh Kumar; Gupta, Rakesh; Parbhakar, Swati; Kumar Mishra, Anil; Mathur, Rashi; Hussain, Firasat","Dimeric complexes of rare-earth substituted Keggin-type silicotungstates: syntheses, crystal structure and solid state properties","RSC Adv.","2014","4","48","25357","","10.1039/C4RA02751E","","","0.71073","MoKα","","0.065","0.0515","","","0.1015","0.1074","","","","","","1.0515","","","","has coordinates","233208","2020-10-21","18:00:00",""
"7235658","20.0503","0.0006","12.634","0.0002","21.0876","0.0005","90","","110.788","0.003","90","","4994.1","0.2","149.3","","149.3","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 Er2 K8 Na4 O110 Si2 W22 -","- C4 Er2 K8 Na4 O110 Si2 W22 -","- C8 Er4 K16 Na8 O220 Si4 W44 -","2","0.5","","Saini, Mukesh Kumar; Gupta, Rakesh; Parbhakar, Swati; Kumar Mishra, Anil; Mathur, Rashi; Hussain, Firasat","Dimeric complexes of rare-earth substituted Keggin-type silicotungstates: syntheses, crystal structure and solid state properties","RSC Adv.","2014","4","48","25357","","10.1039/C4RA02751E","","","0.71073","MoKα","","0.051","0.0449","","","0.105","0.1086","","","","","","1.0307","","","","has coordinates","233208","2020-10-21","18:00:00",""
"7235659","20.1241","0.0006","12.6661","0.0003","21.1544","0.0005","90","","110.377","0.003","90","","5054.7","0.2","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 Eu2 K8 Na4 O110 Si2 W22 -","- C4 Eu2 K8 Na4 O110 Si2 W22 -","- C8 Eu4 K16 Na8 O220 Si4 W44 -","2","0.5","","Saini, Mukesh Kumar; Gupta, Rakesh; Parbhakar, Swati; Kumar Mishra, Anil; Mathur, Rashi; Hussain, Firasat","Dimeric complexes of rare-earth substituted Keggin-type silicotungstates: syntheses, crystal structure and solid state properties","RSC Adv.","2014","4","48","25357","","10.1039/C4RA02751E","","","0.71073","MoKα","","0.0626","0.0561","","","0.1334","0.1364","","","","","","1.0266","","","","has coordinates","233208","2020-10-21","18:00:00",""
"7235660","20.0905","0.0006","12.6729","0.0003","21.0974","0.0006","90","","110.47","0.003","90","","5032.3","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 Gd2 K8 Na4 O110 Si2 W22 -","- C4 Gd2 K8 Na4 O110 Si2 W22 -","- C8 Gd4 K16 Na8 O220 Si4 W44 -","2","0.5","","Saini, Mukesh Kumar; Gupta, Rakesh; Parbhakar, Swati; Kumar Mishra, Anil; Mathur, Rashi; Hussain, Firasat","Dimeric complexes of rare-earth substituted Keggin-type silicotungstates: syntheses, crystal structure and solid state properties","RSC Adv.","2014","4","48","25357","","10.1039/C4RA02751E","","","0.71073","MoKα","","0.0593","0.052","","","0.116","0.1202","","","","","","1.0369","","","","has coordinates","233208","2020-10-21","18:00:00",""
"7235661","20.0715","0.0006","12.6297","0.0004","21.0663","0.0007","90","","110.526","0.004","90","","5001.2","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 Ho2 K8 Na4 O110 Si2 W22 -","- C4 Ho2 K8 Na4 O110 Si2 W22 -","- C8 Ho4 K16 Na8 O220 Si4 W44 -","2","0.5","","Saini, Mukesh Kumar; Gupta, Rakesh; Parbhakar, Swati; Kumar Mishra, Anil; Mathur, Rashi; Hussain, Firasat","Dimeric complexes of rare-earth substituted Keggin-type silicotungstates: syntheses, crystal structure and solid state properties","RSC Adv.","2014","4","48","25357","","10.1039/C4RA02751E","","","0.71073","MoKα","","0.0568","0.0533","","","0.1367","0.1383","","","","","","1.0145","","","","has coordinates","233208","2020-10-21","18:00:00",""
"7235662","20.1394","0.0008","12.6367","0.0004","21.1096","0.0008","90","","110.718","0.004","90","","5024.9","0.3","149.9","","149.9","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 K8 Na4 O110 Si2 Tb2 W22 -","- C4 K8 Na4 O110 Si2 Tb2 W22 -","- C8 K16 Na8 O220 Si4 Tb4 W44 -","2","0.5","","Saini, Mukesh Kumar; Gupta, Rakesh; Parbhakar, Swati; Kumar Mishra, Anil; Mathur, Rashi; Hussain, Firasat","Dimeric complexes of rare-earth substituted Keggin-type silicotungstates: syntheses, crystal structure and solid state properties","RSC Adv.","2014","4","48","25357","","10.1039/C4RA02751E","","","0.71073","MoKα","","0.0524","0.0407","","","0.0715","0.0754","","","","","","1.0501","","","","has coordinates","233208","2020-10-21","18:00:00",""
"7235663","20.079","0.0011","12.6152","0.0004","21.0766","0.0011","90","","110.904","0.007","90","","4987.3","0.5","180.1","","180.1","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 K8 Na4 O110 Si2 Tm2 W22 -","- C4 K8 Na4 O110 Si2 Tm2 W22 -","- C8 K16 Na8 O220 Si4 Tm4 W44 -","2","0.5","","Saini, Mukesh Kumar; Gupta, Rakesh; Parbhakar, Swati; Kumar Mishra, Anil; Mathur, Rashi; Hussain, Firasat","Dimeric complexes of rare-earth substituted Keggin-type silicotungstates: syntheses, crystal structure and solid state properties","RSC Adv.","2014","4","48","25357","","10.1039/C4RA02751E","","","0.71073","MoKα","","0.0826","0.0662","","","0.1358","0.1442","","","","","","1.0438","","","","has coordinates","233208","2020-10-21","18:00:00",""
"7235664","13.28","0.002","13.28","0.002","13.533","0.003","90","","90","","90","","2386.7","0.7","293","2","293","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C8 H3 Br N8 O Zn -","- C8 H3 Br N8 O Zn -","- C64 H24 Br8 N64 O8 Zn8 -","8","0.5","","He, Hongming; Sun, Fuxing; Zhao, Nian; Yuan, Rongrong; Zhu, Guangshan","Three novel zinc(ii) metal‒organic frameworks based on three tetrazolate ligands: synthesis, structures and photoluminescence","RSC Adv.","2014","4","41","21535","","10.1039/C4RA02872D","","","0.71073","MoKα","","0.0496","0.0331","","","0.0871","0.0954","","","","","","1.079","","","","has coordinates","233210","2020-10-21","18:00:00",""
"7235665","18.8708","0.0007","18.8708","0.0007","52.615","0.004","90","","90","","120","","16226.3","1.5","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C30 H6 N60 Zn5 -","- C30 H6 N60 Zn5 -","- C180 H36 N360 Zn30 -","6","0.166667","","He, Hongming; Sun, Fuxing; Zhao, Nian; Yuan, Rongrong; Zhu, Guangshan","Three novel zinc(ii) metal‒organic frameworks based on three tetrazolate ligands: synthesis, structures and photoluminescence","RSC Adv.","2014","4","41","21535","","10.1039/C4RA02872D","","","0.71073","MoKα","","0.0799","0.0498","","","0.1621","0.1749","","","","","","1.133","","","","has coordinates","233210","2020-10-21","18:00:00",""
"7235666","11.9967","0.0011","13.2295","0.0012","7.0045","0.0007","90","","92.472","0.001","90","","1110.65","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 N9 O3 Zn -","- C7 H3 N9 O3 Zn -","- C28 H12 N36 O12 Zn4 -","4","1","","He, Hongming; Sun, Fuxing; Zhao, Nian; Yuan, Rongrong; Zhu, Guangshan","Three novel zinc(ii) metal‒organic frameworks based on three tetrazolate ligands: synthesis, structures and photoluminescence","RSC Adv.","2014","4","41","21535","","10.1039/C4RA02872D","","","0.71073","MoKα","","0.0464","0.0375","","","0.1169","0.1235","","","","","","1.085","","","","has coordinates","233210","2020-10-21","18:00:00",""
"7235667","11.151","0.003","12.316","0.003","13.284","0.004","90","","102.498","0.016","90","","1781.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 Cl2 N4 Ru S -","- C15 H18 Cl2 N4 Ru S -","- C60 H72 Cl8 N16 Ru4 S4 -","4","1","","Mitra, Raja; Samuelson, Ashoka G.","Mitigating UVA light induced reactivity of 6-thioguanine through formation of a Ru(ii) half-sandwich complex","RSC Adv.","2014","4","46","24304","","10.1039/C4RA02960G","","","0.71073","MoKα","","0.2041","0.0664","","","0.0769","0.1025","","","","","","0.961","","","","has coordinates","233212","2020-10-21","18:00:00",""
"7235668","11.282","0.005","12.335","0.005","13.697","0.005","90","0.005","101.374","0.005","90","0.005","1868.7","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 Br2 N4 Ru S -","- C15 H18 Br2 N4 Ru S -","- C60 H72 Br8 N16 Ru4 S4 -","4","1","","Mitra, Raja; Samuelson, Ashoka G.","Mitigating UVA light induced reactivity of 6-thioguanine through formation of a Ru(ii) half-sandwich complex","RSC Adv.","2014","4","46","24304","","10.1039/C4RA02960G","","","0.71073","MoKα","","0.1108","0.0463","","","0.087","0.1046","","","","","","0.968","","","","has coordinates","233212","2020-10-21","18:00:00",""
"7235669","12.222","0.005","13.369","0.005","17.069","0.005","68.138","0.005","73.503","0.005","68.533","0.005","2373.4","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H26 Cl2 N6 O Ru S -","- C18 H26 Cl2 N6 O Ru S -","- C72 H104 Cl8 N24 O4 Ru4 S4 -","4","2","","Mitra, Raja; Samuelson, Ashoka G.","Mitigating UVA light induced reactivity of 6-thioguanine through formation of a Ru(ii) half-sandwich complex","RSC Adv.","2014","4","46","24304","","10.1039/C4RA02960G","","","0.71073","MoKα","","0.0887","0.0446","","","0.1048","0.1259","","","","","","1.014","","","","has coordinates","233212","2020-10-21","18:00:00",""
"7235670","17.1507","0.0005","7.778","0.0002","24.0381","0.0008","90","","106.298","0.003","90","","3077.78","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H44 Cl Ir N2 O -","- C33 H44 Cl Ir N2 O -","- C132 H176 Cl4 Ir4 N8 O4 -","4","1","","Gülcemal, Derya; Gökçe, Aytaç Gürhan; Gülcemal, Süleyman; Çetinkaya, Bekir","Hydroxyl and ester functionalized N-heterocyclic carbene complexes of iridium(i): efficient catalysts for transfer hydrogenation reactions","RSC Adv.","2014","4","50","26222","","10.1039/C4RA02993C","","","0.71073","MoKα","","0.07","0.0425","","","0.0803","0.0925","","","","","","1.023","","","","has coordinates","233214","2020-10-21","18:00:00",""
"7235671","15.8455","0.0005","12.8111","0.0004","18.117","0.0005","90","","110.4","0.003","90","","3447.06","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 Cl Ir N2 O2 -","- C37 H50 Cl Ir N2 O2 -","- C148 H200 Cl4 Ir4 N8 O8 -","4","1","","Gülcemal, Derya; Gökçe, Aytaç Gürhan; Gülcemal, Süleyman; Çetinkaya, Bekir","Hydroxyl and ester functionalized N-heterocyclic carbene complexes of iridium(i): efficient catalysts for transfer hydrogenation reactions","RSC Adv.","2014","4","50","26222","","10.1039/C4RA02993C","","","0.71073","MoKα","","0.0577","0.0356","","","0.0729","0.0801","","","","","","0.979","","","","has coordinates","233214","2020-10-21","18:00:00",""
"7235672","15.8134","0.0006","13.332","0.0004","18.0822","0.0006","90","","111.855","0.004","90","","3538.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 Cl Ir N2 O2 -","- C38 H52 Cl Ir N2 O2 -","- C152 H208 Cl4 Ir4 N8 O8 -","4","1","","Gülcemal, Derya; Gökçe, Aytaç Gürhan; Gülcemal, Süleyman; Çetinkaya, Bekir","Hydroxyl and ester functionalized N-heterocyclic carbene complexes of iridium(i): efficient catalysts for transfer hydrogenation reactions","RSC Adv.","2014","4","50","26222","","10.1039/C4RA02993C","","","0.71073","MoKα","","0.0388","0.0259","","","0.0504","0.0549","","","","","","1.014","","","","has coordinates","233214","2020-10-21","18:00:00",""
"7235673","12.07","0.005","11.426","0.005","10.93","0.005","90","0.005","102.079","0.005","90","0.005","1474","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","monoclinic","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Cao, Yuanle; Xi, Wengang; Wang, Lianke; Wang, Huizhen; Kong, Lin; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Reversible piezofluorochromic nature and mechanism of aggregation-induced emission-active compounds based on simple modification","RSC Adv.","2014","4","47","24649","","10.1039/C4RA03042G","","","0.71069","MoKα","","0.0462","0.039","","","0.1074","0.1155","","","","","","0.998","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235674","14.6029","0.0019","7.8062","0.001","17.686","0.002","90","","97.712","0.001","90","","1997.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","","Cao, Yuanle; Xi, Wengang; Wang, Lianke; Wang, Huizhen; Kong, Lin; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Reversible piezofluorochromic nature and mechanism of aggregation-induced emission-active compounds based on simple modification","RSC Adv.","2014","4","47","24649","","10.1039/C4RA03042G","","","0.71073","MoKα","","0.0544","0.049","","","0.1208","0.1291","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235675","7.036","0.005","15.938","0.011","16.115","0.011","90","","95.219","0.008","90","","1800","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 -","- C22 H15 N3 -","- C88 H60 N12 -","4","1","","Cao, Yuanle; Xi, Wengang; Wang, Lianke; Wang, Huizhen; Kong, Lin; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Reversible piezofluorochromic nature and mechanism of aggregation-induced emission-active compounds based on simple modification","RSC Adv.","2014","4","47","24649","","10.1039/C4RA03042G","","","0.71073","MoKα","","0.0598","0.0428","","","0.1272","0.146","","","","","","0.988","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235676","16.829","0.004","21.25","0.006","7.2108","0.0019","90","","90","","90","","2578.7","1.2","173","2","173","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","","","- C32 H32 Cd3 Cl6 N16 -","- C32 H32 Cd3 Cl6 N16 -","- C64 H64 Cd6 Cl12 N32 -","2","0.5","","Xu, Yao Yao; Wu, Xiang Xia; Wang, You You; Su, Xiu Mei; Liu, Shi Xin; Zhu, Zhao Zhou; Ding, Bin; Wang, Ying; Huo, Jian Zhong; Du, Gui Xiang","Hydrothermal syntheses of a series of cluster-based micro-porous luminescent cadmium(ii) metal‒organic frameworks with 4-amino-benzene-1,2,4-triazole: topological diversity, gas absorption and photo-luminescent characterization","RSC Advances","2014","4","48","25172","","10.1039/c4ra03077j","","","0.71073","MoKα","","0.0854","0.0542","","","0.0893","0.0965","","","","","","0.997","","","","has coordinates","233218","2020-10-21","18:00:00",""
"7235677","38.46","0.01","8.626","0.002","14.826","0.004","90","","99.161","0.004","90","","4856","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Br4 Cd2 N8 O1.05 -","- C16 H16 Br4 Cd2 N8 O1.05 -","- C128 H128 Br32 Cd16 N64 O8.4 -","8","1","","Xu, Yao Yao; Wu, Xiang Xia; Wang, You You; Su, Xiu Mei; Liu, Shi Xin; Zhu, Zhao Zhou; Ding, Bin; Wang, Ying; Huo, Jian Zhong; Du, Gui Xiang","Hydrothermal syntheses of a series of cluster-based micro-porous luminescent cadmium(ii) metal‒organic frameworks with 4-amino-benzene-1,2,4-triazole: topological diversity, gas absorption and photo-luminescent characterization","RSC Advances","2014","4","48","25172","","10.1039/c4ra03077j","","","0.71073","MoKα","","0.1041","0.0529","","","0.0918","0.1089","","","","","","1.007","","","","has coordinates","233218","2020-10-21","18:00:00",""
"7235678","9.4335","0.0013","18.353","0.003","32.499","0.005","90","","95.807","0.002","90","","5597.8","1.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42.96 Cd3 I6 N20 O1.48 -","- C40 H40 Cd3 I6 N20 O1.48 -","- C160 H160 Cd12 I24 N80 O5.92 -","4","1","","Xu, Yao Yao; Wu, Xiang Xia; Wang, You You; Su, Xiu Mei; Liu, Shi Xin; Zhu, Zhao Zhou; Ding, Bin; Wang, Ying; Huo, Jian Zhong; Du, Gui Xiang","Hydrothermal syntheses of a series of cluster-based micro-porous luminescent cadmium(ii) metal‒organic frameworks with 4-amino-benzene-1,2,4-triazole: topological diversity, gas absorption and photo-luminescent characterization","RSC Advances","2014","4","48","25172","","10.1039/c4ra03077j","","","0.71073","MoKα","","0.0708","0.0459","","","0.1005","0.1117","","","","","","1.015","","","","has coordinates","233218","2020-10-21","18:00:00",""
"7235679","10.5418","0.0005","16.8661","0.0008","14.0774","0.0007","90","","92.525","0.001","90","","2500.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H54 Mo10 N10 O46 -","- C8 H54 Mo10 N10 O46 -","- C16 H108 Mo20 N20 O92 -","2","0.5","","Chen, Quan-Liang; Huang, Wei; Chen, Mao-Long; Lin, Jing; Cao, Ze-Xing; Zhou, Zhao-Hui","Transformations and reductions of γ-octamolybdates with their monomeric and dimeric amino polycarboxylates","RSC Adv.","2014","4","50","26499","","10.1039/C4RA03125C","","","0.71073","MoKα","","0.0561","0.0472","","","0.0991","0.1035","","","","","","1.106","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235680","10.3517","0.0004","11.2044","0.0003","11.3559","0.0003","95.776","0.002","95.67","0.003","92.794","0.003","1301.72","0.07","446","2","446","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H17 K4 Mo5 N O25 -","- C4 H17 K4 Mo5 N O25 -","- C8 H34 K8 Mo10 N2 O50 -","2","1","","Chen, Quan-Liang; Huang, Wei; Chen, Mao-Long; Lin, Jing; Cao, Ze-Xing; Zhou, Zhao-Hui","Transformations and reductions of γ-octamolybdates with their monomeric and dimeric amino polycarboxylates","RSC Adv.","2014","4","50","26499","","10.1039/C4RA03125C","","","0.71073","MoKα","","0.0281","0.0216","","","0.0586","0.0625","","","","","","0.813","","","","has coordinates","233220","2020-10-21","18:00:00",""
"7235681","6.7791","0.0003","12.8945","0.0006","14.1217","0.0007","109.542","0.001","90.903","0.001","103.527","0.001","1125.08","0.09","446","2","446","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H32 Mo2 N6 O17 -","- C8 H28 Mo2 N6 O17 -","- C16 H56 Mo4 N12 O34 -","2","1","","Chen, Quan-Liang; Huang, Wei; Chen, Mao-Long; Lin, Jing; Cao, Ze-Xing; Zhou, Zhao-Hui","Transformations and reductions of γ-octamolybdates with their monomeric and dimeric amino polycarboxylates","RSC Adv.","2014","4","50","26499","","10.1039/C4RA03125C","","","0.71073","MoKα","","0.0325","0.0311","","","0.0777","0.0788","","","","","","1.051","","","","has coordinates","233220","2020-10-21","18:00:00",""
"7235682","7.1046","0.0001","15.0877","0.0004","25.2185","0.0005","90","","91.879","0.002","90","","2701.77","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H38 Cl Mo2 N7 O16 -","- C11 H38 Cl Mo2 N7 O16 -","- C44 H152 Cl4 Mo8 N28 O64 -","4","1","","Chen, Quan-Liang; Huang, Wei; Chen, Mao-Long; Lin, Jing; Cao, Ze-Xing; Zhou, Zhao-Hui","Transformations and reductions of γ-octamolybdates with their monomeric and dimeric amino polycarboxylates","RSC Adv.","2014","4","50","26499","","10.1039/C4RA03125C","","","0.71073","MoKα","","0.0525","0.0436","","","0.1093","0.1155","","","","","","1.005","","","","has coordinates","233220","2020-10-21","18:00:00",""
"7235683","6.7798","0.001","12.993","0.002","14.072","0.002","104.655","0.013","90.484","0.012","94.979","0.012","1194.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H20 K4 Mo2 N2 O17 -","- C11 H14 K4 Mo2 N2 O17 -","- C22 H28 K8 Mo4 N4 O34 -","2","1","","Chen, Quan-Liang; Huang, Wei; Chen, Mao-Long; Lin, Jing; Cao, Ze-Xing; Zhou, Zhao-Hui","Transformations and reductions of γ-octamolybdates with their monomeric and dimeric amino polycarboxylates","RSC Adv.","2014","4","50","26499","","10.1039/C4RA03125C","","","0.71073","MoKα","","0.079","0.0397","","","0.0655","0.0703","","","","","","0.771","","","","has coordinates","233220","2020-10-21","18:00:00",""
"7235684","9.5129","0.0006","11.3042","0.0006","14.8647","0.001","90","","107.488","0.007","90","","1524.6","0.17","571","2","571","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C0 H32 Mo8 N6 O31 -","- H32 Mo8 N6 O31 -","- H64 Mo16 N12 O62 -","2","0.5","","Chen, Quan-Liang; Huang, Wei; Chen, Mao-Long; Lin, Jing; Cao, Ze-Xing; Zhou, Zhao-Hui","Transformations and reductions of γ-octamolybdates with their monomeric and dimeric amino polycarboxylates","RSC Adv.","2014","4","50","26499","","10.1039/C4RA03125C","","","0.71073","MoKα","","0.0781","0.049","","","0.0892","0.1123","","","","","","1.068","","","","has coordinates","233220","2020-10-21","18:00:00",""
"7235685","8.2533","0.0009","8.3054","0.001","10.2054","0.0011","104.687","0.01","105.91","0.01","109.499","0.01","586.44","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- H5 Mo4 N0.5 O15 -","- H5 Mo4 N2 O13 -","- H10 Mo8 N4 O26 -","2","1","","Chen, Quan-Liang; Huang, Wei; Chen, Mao-Long; Lin, Jing; Cao, Ze-Xing; Zhou, Zhao-Hui","Transformations and reductions of γ-octamolybdates with their monomeric and dimeric amino polycarboxylates","RSC Adv.","2014","4","50","26499","","10.1039/C4RA03125C","","","0.71073","MoKα","","0.0495","0.0384","","","0.0816","0.0883","","","","","","1.007","","","","has coordinates","233220","2020-10-21","18:00:00",""
"7235686","12.0129","0.0013","13.4609","0.0014","22.928","0.002","94.684","0.003","91.243","0.003","102.218","0.002","3608.6","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H39 N5 O4 -","- C39 H39 N5 O4 -","- C156 H156 N20 O16 -","4","2","","Goswami, Shyamaprosad; Das, Sangita; Aich, Krishnendu; Nandi, Prasanta Kumar; Ghoshal, Kakali; Quah, Ching Kheng; Bhattacharyya, Maitree; Fun, Hoong-Kun; Abdel-Aziz, Hatem A.","A rhodamine–quinoline based chemodosimeter capable of recognising endogenous OCl− in human blood cells","RSC Adv.","2014","4","47","24881","","10.1039/C4RA03200D","","","0.71073","MoKα","","0.1601","0.066","","","0.1638","0.2346","","","","","","1.019","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235687","7.6235","0.0009","10.5395","0.0012","13.1263","0.0016","110.467","0.003","92.997","0.003","96.593","0.003","976.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N O4 -","- C26 H19 N O4 -","- C52 H38 N2 O8 -","2","1","","Bagdi, Avik Kumar; Hajra, Alakananda","Brønsted acidic ionic liquid catalyzed tandem reaction of 4-hydroxy-1-methyl-2-quinolone with chalcone: regioselective synthesis of pyrano[3,2-c]quinolin-2-ones","RSC Adv.","2014","4","44","23287","","10.1039/C4RA03221G","","","0.71073","MoKα","","0.0603","0.0464","","","0.122","0.1346","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235688","7.76","0.03","9.31","0.03","21.48","0.08","90","","90","","90","","1552","10","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 F3 N2 O4 S -","- C11 H19 F3 N2 O4 S -","- C44 H76 F12 N8 O16 S4 -","4","1","","Wan, Wen; Gao, Wei; Ma, Guobin; Ma, Lei; Wang, Fan; Wang, Jing; Jiang, Haizhen; Zhu, Shizheng; Hao, Jian","Asymmetric aldol reaction organocatalyzed by bifunctional N-prolyl sulfinamides under solvent-free conditions","RSC Adv.","2014","4","51","26563","","10.1039/C4RA03362K","","","0.71073","MoKα","","0.0408","0.0346","","","0.0824","0.0865","","","","","","1.012","","","","has coordinates","233226","2020-10-21","18:00:00",""
"7235689","18.6306","0.0007","9.8545","0.0004","23.3346","0.0009","90","","99.229","0.001","90","","4228.7","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N2 O3 -","- C27 H20 N2 O3 -","- C216 H160 N16 O24 -","8","1","","Pathak, Sudipta; Debnath, Kamalesh; Mollick, Md. Masud Rahaman; Pramanik, Animesh","Facile cyclization in the synthesis of highly fused diaza cyclooctanoid compounds using retrievable nano magnetite-supported sulfonic acid catalyst","RSC Adv.","2014","4","45","23779","","10.1039/C4RA03384A","","","0.71073","MoKα","","0.1082","0.0549","","","0.1315","0.1549","","","","","","0.992","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235690","18.825","0.004","10.152","0.002","23.818","0.005","90","","102.299","0.003","90","","4447.4","1.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N2 O3 -","- C28 H22 N2 O3 -","- C224 H176 N16 O24 -","8","1","","Pathak, Sudipta; Debnath, Kamalesh; Mollick, Md. Masud Rahaman; Pramanik, Animesh","Facile cyclization in the synthesis of highly fused diaza cyclooctanoid compounds using retrievable nano magnetite-supported sulfonic acid catalyst","RSC Adv.","2014","4","45","23779","","10.1039/C4RA03384A","","","0.71073","MoKα","","0.0783","0.0506","","","0.1373","0.1564","","","","","","0.984","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235691","19.479","0.003","10.6597","0.0018","24.687","0.004","90","","106.835","0.002","90","","4906.3","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 Cl N2 O3 -","- C31 H25 Cl N2 O3 -","- C248 H200 Cl8 N16 O24 -","8","1","","Pathak, Sudipta; Debnath, Kamalesh; Mollick, Md. Masud Rahaman; Pramanik, Animesh","Facile cyclization in the synthesis of highly fused diaza cyclooctanoid compounds using retrievable nano magnetite-supported sulfonic acid catalyst","RSC Adv.","2014","4","45","23779","","10.1039/C4RA03384A","","","0.71073","MoKα","","0.0661","0.0466","","","0.1196","0.1335","","","","","","0.971","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235692","7.175","0.0014","7.202","0.0014","7.856","0.0016","66.12","0.03","65.34","0.03","68.51","0.03","327.69","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C H6 N6 O5 -","- C H6 N6 O5 -","- C2 H12 N12 O10 -","2","1","","Jin, Xinghui; Hu, Bingcheng; Liu, Zuliang; Lv, Chunxu","Structure and properties of 1-amino-2-nitroguanidinium nitrate","RSC Adv.","2014","4","45","23898","","10.1039/C4RA03462G","","","0.71073","MoKα","","0.0466","0.0413","","","0.132","0.1389","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235693","10.192","0.004","12.0704","0.0019","12.078","0.0015","91.254","0.012","98.01","0.03","106.54","0.03","1407.5","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Co N4 O5 -","- C28 H32 Co N4 O5 -","- C56 H64 Co2 N8 O10 -","2","1","","Xu, Bo; Sun, Yi-Qiang; Li, Jie; Li, Cun-Cheng","Structural and functional studies on coordination polymers based on 5-tert-butylisophthalic acid and N,N′-bis-(4-pyridylmethyl) piperazine","RSC Advances","2014","4","49","25588","","10.1039/c4ra03569k","","","0.71073","MoKα","","0.0561","0.0453","","","0.1135","0.1231","","","","","","1.056","","","","has coordinates","233230","2020-10-21","18:00:00",""
"7235694","11.0054","0.0003","17.5194","0.0005","19.5049","0.0005","90","","105.175","0.003","90","","3629.57","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 N6 Ni O6 -","- C36 H42 N6 Ni O6 -","- C144 H168 N24 Ni4 O24 -","4","1","","Xu, Bo; Sun, Yi-Qiang; Li, Jie; Li, Cun-Cheng","Structural and functional studies on coordination polymers based on 5-tert-butylisophthalic acid and N,N′-bis-(4-pyridylmethyl) piperazine","RSC Advances","2014","4","49","25588","","10.1039/c4ra03569k","","","0.71073","MoKα","","0.053","0.0433","","","0.1129","0.1204","","","","","","1.058","","","","has coordinates","233230","2020-10-21","18:00:00",""
"7235695","17.0669","0.001","10.2827","0.0007","21.854","0.002","90","","95.664","0.005","90","","3816.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Cd N6 O7 -","- C36 H42 Cd N6 O7 -","- C144 H168 Cd4 N24 O28 -","4","1","","Xu, Bo; Sun, Yi-Qiang; Li, Jie; Li, Cun-Cheng","Structural and functional studies on coordination polymers based on 5-tert-butylisophthalic acid and N,N′-bis-(4-pyridylmethyl) piperazine","RSC Advances","2014","4","49","25588","","10.1039/c4ra03569k","","","0.71073","MoKα","","0.0761","0.0613","","","0.1592","0.1719","","","","","","1.147","","","","has coordinates","233230","2020-10-21","18:00:00",""
"7235696","8.1761","0.0014","8.3698","0.0019","12.1493","0.0014","76.098","0.015","80.854","0.012","89.732","0.016","796.3","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","naphthalane","methyl 4-benzyl-5-methoxynaphthalene-2-carboxylate","","- C20 H18 O3 -","- C20 H18 O3 -","- C40 H36 O6 -","2","1","","Basavaiah, Deevi; Reddy, Daggula Mallikarjuna","The Baylis–Hillman acetates in organic synthesis: Unprecedented sodium nitrite induced intramolecular Friedel–Crafts cyclization of secondary nitro compounds","RSC Adv.","2014","4","46","23966","","10.1039/C4RA03573A","","","0.71073","MoKα","","0.0767","0.0535","","","0.1369","0.1566","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235697","11.092","0.004","17.545","0.006","17.517","0.005","90","","110.638","0.018","90","","3190.2","1.9","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","phenanthrene","methyl 1-phenylphenanthrene-3-carboxylate","","- C22 H16 O2 -","- C22 H16 O2 -","- C176 H128 O16 -","8","2","","Basavaiah, Deevi; Reddy, Daggula Mallikarjuna","The Baylis–Hillman acetates in organic synthesis: Unprecedented sodium nitrite induced intramolecular Friedel–Crafts cyclization of secondary nitro compounds","RSC Adv.","2014","4","46","23966","","10.1039/C4RA03573A","","","0.71073","MoKα","","0.0643","0.045","","","0.116","0.1275","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235698","9.057","0.002","7.6437","0.0018","23.756","0.005","90","","90.458","0.004","90","","1644.6","0.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","phenanthrenes","methyl 4-phenylphenanthrene-2-carboxylate","","- C22 H16 O2 -","- C22 H16 O2 -","- C88 H64 O8 -","4","1","","Basavaiah, Deevi; Reddy, Daggula Mallikarjuna","The Baylis–Hillman acetates in organic synthesis: Unprecedented sodium nitrite induced intramolecular Friedel–Crafts cyclization of secondary nitro compounds","RSC Adv.","2014","4","46","23966","","10.1039/C4RA03573A","","","0.71073","MoKα","","0.0848","0.0792","","","0.2351","0.2379","","","","","","1.208","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235699","8.526","0.006","38.83","0.03","7.91","0.006","90","","94.242","0.014","90","","2612","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","carbazole","methyl 4,9-dimethyl-9H-carbazole-2-carboxylate","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","2","","Basavaiah, Deevi; Reddy, Daggula Mallikarjuna","The Baylis–Hillman acetates in organic synthesis: Unprecedented sodium nitrite induced intramolecular Friedel–Crafts cyclization of secondary nitro compounds","RSC Adv.","2014","4","46","23966","","10.1039/C4RA03573A","","","0.71073","MoKα","","0.1333","0.0707","","","0.1665","0.2316","","","","","","1.12","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235700","12.523","0.002","11.363","0.0019","16.558","0.003","90","","90","","90","","2356.2","0.7","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-2,2,2-trinitro-N-(2,2,2-trinitroethylidene)ethanamine","","- C4 H3 N7 O12 -","- C4 H3 N7 O12 -","- C32 H24 N56 O96 -","8","1","","Gao, Haixiang; Shreeve, Jean'ne M.","Trinitroethyl – a functionality leading to energetic compounds with high nitro content","RSC Advances","2014","4","47","24874","","10.1039/c4ra03885a","","","0.71073","MoKα","","0.0527","0.0319","","","0.0725","0.0826","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235701","8.1168","0.0012","16.788","0.003","7.9183","0.0012","90","","98.491","0.002","90","","1067.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cd N2 O4 -","- C11 H9 Cd N2 O4 -","- C44 H36 Cd4 N8 O16 -","4","1","","Wu, Guo-Yun; Ren, Yi-Xia; Yin, Zheng; Sun, Feng; Zeng, Ming-Hua; Kurmoo, Mohamedally","Effects of substituent groups on the structures and luminescence properties of 2D/3D CdII complexes with mixed rigid and flexible carboxylate ligands","RSC Adv.","2014","4","46","24183","","10.1039/C4RA04755A","","","0.71073","MoKα","","0.0355","0.0247","","","0.0568","0.0615","","","","","","1.079","","","","has coordinates","233237","2020-10-21","18:00:00",""
"7235702","8.3562","0.0014","9.3356","0.0016","9.3443","0.0016","62.605","0.002","89.857","0.003","85.559","0.003","644.81","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 Cd N2 O5 -","- C12 H13 Cd N2 O5 -","- C24 H26 Cd2 N4 O10 -","2","1","","Wu, Guo-Yun; Ren, Yi-Xia; Yin, Zheng; Sun, Feng; Zeng, Ming-Hua; Kurmoo, Mohamedally","Effects of substituent groups on the structures and luminescence properties of 2D/3D CdII complexes with mixed rigid and flexible carboxylate ligands","RSC Adv.","2014","4","46","24183","","10.1039/C4RA04755A","","","0.71073","MoKα","","0.0297","0.0267","","","0.0786","0.0905","","","","","","1.01","","","","has coordinates","233237","2020-10-21","18:00:00",""
"7235703","8.6033","0.0015","9.0659","0.0016","10.1203","0.0018","74.826","0.003","73.131","0.003","85.128","0.003","729","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Cd N2 O6 -","- C13 H14 Cd N2 O6 -","- C26 H28 Cd2 N4 O12 -","2","1","","Wu, Guo-Yun; Ren, Yi-Xia; Yin, Zheng; Sun, Feng; Zeng, Ming-Hua; Kurmoo, Mohamedally","Effects of substituent groups on the structures and luminescence properties of 2D/3D CdII complexes with mixed rigid and flexible carboxylate ligands","RSC Adv.","2014","4","46","24183","","10.1039/C4RA04755A","","","0.71073","MoKα","","0.03","0.0279","","","0.0767","0.0781","","","","","","1.113","","","","has coordinates","233237","2020-10-21","18:00:00",""
"7235704","20.729","0.003","18.1887","0.0013","17","0.002","90","","105.629","0.014","90","","6172.6","1.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C68 H51 Cu4 N8 O4 S4 -","- C68 H51 Cu4 N8 O4 S4 -","- C272 H204 Cu16 N32 O16 S16 -","4","1","","Joshi, Deepak Kumar; Mishra, Kunj Bihari; Tiwari, Vinod Kumar; Bhattacharya, Subrato","Synthesis, structure, and catalytic activities of new Cu(i) thiocarboxylate complexes","RSC Adv.","2014","4","75","39790","","10.1039/C4RA05290K","","","0.71073","MoKα","","0.2189","0.096","","","0.2125","0.2469","","","","","","0.803","","","","has coordinates","233239","2020-10-21","18:00:00",""
"7235705","11.211","0.005","8.56","0.005","36.116","0.005","90","0.005","98.857","0.005","90","0.005","3425","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H33 Cu Fe O P2 S -","- C41 H33 Cu Fe O P2 S -","- C164 H132 Cu4 Fe4 O4 P8 S4 -","4","1","","Joshi, Deepak Kumar; Mishra, Kunj Bihari; Tiwari, Vinod Kumar; Bhattacharya, Subrato","Synthesis, structure, and catalytic activities of new Cu(i) thiocarboxylate complexes","RSC Adv.","2014","4","75","39790","","10.1039/C4RA05290K","","","0.71073","MoKα","","0.1329","0.047","","","0.0622","0.0714","","","","","","0.73","","","","has coordinates","233239","2020-10-21","18:00:00",""
"7235706","5.729","0.0011","7.0037","0.001","31.751","0.005","90","","90","","90","","1274","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 Cu O S -","- C7 H5 Cu O S -","- C56 H40 Cu8 O8 S8 -","8","1","","Joshi, Deepak Kumar; Mishra, Kunj Bihari; Tiwari, Vinod Kumar; Bhattacharya, Subrato","Synthesis, structure, and catalytic activities of new Cu(i) thiocarboxylate complexes","RSC Adv.","2014","4","75","39790","","10.1039/C4RA05290K","","","0.71073","MoKα","","0.1049","0.0548","","","0.0818","0.0948","","","","","","1.012","","","","has coordinates","233239","2020-10-21","18:00:00",""
"7235707","7.4066","0.0007","9.4392","0.0012","9.7203","0.0013","116.399","0.013","97.846","0.009","90.409","0.009","601.24","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,6-dimethyl-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C28 H24 N4 O2 -","2","1","","Rai, Sunil K.; Khanam, Shaziya; Khanna, Ranjana S.; Tewari, Ashish K.","Cascade synthesis of 2-pyridones using acrylamides and ketones","RSC Adv.","2014","4","83","44141","","10.1039/C4RA06619G","","","0.71073","MoKα","","0.1104","0.0631","","","0.1608","0.2002","","","","","","0.996","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235708","7.3809","0.0006","8.0626","0.0006","19.9265","0.0012","90","","98.378","0.006","90","","1173.16","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-ethyl-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","1","","Rai, Sunil K.; Khanam, Shaziya; Khanna, Ranjana S.; Tewari, Ashish K.","Cascade synthesis of 2-pyridones using acrylamides and ketones","RSC Adv.","2014","4","83","44141","","10.1039/C4RA06619G","","","0.71073","MoKα","","0.1204","0.0683","","","0.1581","0.1905","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235709","9.3937","0.001","17.428","0.002","18.0482","0.0018","61.217","0.012","78.071","0.009","87.092","0.009","2529.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-chlorophenyl)-5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile","","- C14 H11 Cl N2 O -","- C14 H11 Cl N2 O -","- C112 H88 Cl8 N16 O8 -","8","4","","Rai, Sunil K.; Khanam, Shaziya; Khanna, Ranjana S.; Tewari, Ashish K.","Cascade synthesis of 2-pyridones using acrylamides and ketones","RSC Adv.","2014","4","83","44141","","10.1039/C4RA06619G","","","0.71073","MoKα","","0.1847","0.0909","","","0.2144","0.25","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235710","9.7064","0.001","9.7294","0.001","14.4315","0.0014","82.404","0.008","77.082","0.009","75.69","0.009","1282.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-oxo-4-phenyl-6-propyl-1,2-dihydropyridine-3-carbonitrile","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","2","","Rai, Sunil K.; Khanam, Shaziya; Khanna, Ranjana S.; Tewari, Ashish K.","Cascade synthesis of 2-pyridones using acrylamides and ketones","RSC Adv.","2014","4","83","44141","","10.1039/C4RA06619G","","","0.71073","MoKα","","0.1061","0.0574","","","0.1281","0.1556","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235711","18.021","0.0014","23.0522","0.0017","16.692","0.0013","90","","92.576","0.003","90","","6927.2","0.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 Cl N O P2 Pt -","- C38.051 H36.204 Cl1.045 N O1.051 P2 Pt -","- C304.408 H289.632 Cl8.36 N8 O8.408 P16 Pt8 -","8","1","","Pasha, Sheik Saleem; Alam, Parvej; Dash, Subhra; Kaur, Gurpreet; Banerjee, Debashree; Chowdhury, Rajdeep; Rath, Nigam; Roy Choudhury, Angshuman; Laskar, Inamur Rahaman","Rare observation of ‘aggregation induced emission’ in cyclometalated platinum(ii) complexes and their biological activities","RSC Adv.","2014","4","92","50549","","10.1039/C4RA06623E","","","0.71073","MoKα","","0.0361","0.0271","","","0.072","0.0767","","","","","","1.056","","","","has coordinates,has disorder","233243","2020-10-21","18:00:00",""
"7235712","13.5079","0.0004","11.104","0.0004","10.4205","0.0003","90","","97.455","0.003","90","","1549.78","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","","Wrona-Piotrowicz, Anna; Zakrzewski, Janusz; Métivier, Rémi; Brosseau, Arnaud; Makal, Anna; Woźniak, Krzysztof","Efficient synthesis of pyrene-1-carbothioamides and carboxamides. Tunable solid-state fluorescence of pyrene-1-carboxamides","RSC Adv.","2014","4","99","56003","","10.1039/C4RA07045C","","x-ray","1.54184","CuKα","","0.0492","0.0418","","","0.1136","0.1212","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235713","12.387","0.003","11.618","0.002","18.866","0.004","90","","90","","90","","2715","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 Cl N7 O6 -","- C8 H8 Cl N7 O6 -","- C64 H64 Cl8 N56 O48 -","8","1","","Wu, Bo; Yang, Hongwei; Wang, Zhixin; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","Synthesis and characterization of new energetic derivatives containing a high nitrogen content moiety and picryl group: a new strategy for incorporating the picryl functionality","RSC Adv.","2014","4","95","53282","","10.1039/C4RA08084J","","","0.71073","MoKα","","0.081","0.0566","","","0.1394","0.1549","","","","","","1.041","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7235714","17.6205","0.0013","10.4858","0.0007","15.8252","0.001","90","","111.333","0.003","90","","2723.6","0.3","172","2","172","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N8 O9 -","- C8 H8 N8 O9 -","- C64 H64 N64 O72 -","8","2","","Wu, Bo; Yang, Hongwei; Wang, Zhixin; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","Synthesis and characterization of new energetic derivatives containing a high nitrogen content moiety and picryl group: a new strategy for incorporating the picryl functionality","RSC Adv.","2014","4","95","53282","","10.1039/C4RA08084J","","","0.71073","MoKα","","0.1057","0.0477","","","0.088","0.1072","","","","","","1.015","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235715","24.962","0.003","16.401","0.002","9.4116","0.001","90","","90","","90","","3853.1","0.8","113","2","113","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C15 H8 N10 O10 -","- C15 H8 N10 O10 -","- C120 H64 N80 O80 -","8","1","","Wu, Bo; Yang, Hongwei; Wang, Zhixin; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","Synthesis and characterization of new energetic derivatives containing a high nitrogen content moiety and picryl group: a new strategy for incorporating the picryl functionality","RSC Adv.","2014","4","95","53282","","10.1039/C4RA08084J","","","0.71075","MoKα","","0.1149","0.0673","","","0.1507","0.1815","","","","","","0.963","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235716","20.3483","0.0008","20.3483","0.0008","11.0831","0.0005","90","","90","","90","","4589","0.3","296","2","296","2","","","","","","","","6","I 4","I 4","79","{Cu2(HTyr-N-Dan)4(H2O)2].2(H2O)","","","- C84 H92 Cu2 N8 O24 S4 -","- C84 H84 Cu2 N8 O24 S4 -","- C168 H168 Cu4 N16 O48 S8 -","2","0.25","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","A homochiral luminescent compound with four-fold symmetry as a potential chemosensor for nitroanilines","RSC Adv.","2014","4","88","47249","","10.1039/C4RA08386E","","","0.71073","Mokα","","0.077","0.054","","","0.1467","0.1693","","","","","","1.017","","","","has coordinates","233248","2020-10-21","18:00:00",""
"7235717","7.7369","0.0015","7.9449","0.0016","12.788","0.003","104.35","0.03","97.85","0.03","92.83","0.03","751.6","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 Cl2 O4 -","- C16 H12 Cl2 O4 -","- C32 H24 Cl4 O8 -","2","1","","Li, Jiang-Sheng; Xue, Yuan; Fu, Dong-Mei; Li, Dao-Lin; Li, Zhi-Wei; Liu, Wei-Dong; Pang, Huai-Lin; Zhang, Yue-Fei; Cao, Zhong; Zhang, Ling","Metal-free DDQ-mediated oxidative C–O coupling of acetalic sp3C–H bonds with carboxylic acids","RSC Adv.","2014","4","96","54039","","10.1039/C4RA08627A","","","0.71073","MoKα","","0.0764","0.0445","","","0.0917","0.1075","","","","","","1.01","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235718","6.8172","0.0002","17.6565","0.0005","17.2653","0.0005","90","","97.966","0.002","90","","2058.13","0.1","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cu N3 O7 -","- C22 H15 Cu N3 O7 -","- C88 H60 Cu4 N12 O28 -","4","1","","Mal, Sunit Kumar; Mitra, Merry; Kaur, Gurpreet; Manikandamathavan, V. M.; Kiran, Manikantan Syamala; Choudhury, Angshuman Roy; Nair, Balachandran Unni; Ghosh, Rajarshi","Nuclease activity and anti-proliferative effect on human cancerous cells of a newly synthesized and characterized mononuclear copper(ii) complex [CuII(L)(fu)2] [L = 2-(2-pyridyl)benzimidazole, fu = furoate]","RSC Adv.","2014","4","106","61337","","10.1039/C4RA09448D","","","0.71073","MoKα","","0.1036","0.0592","","","0.1478","0.1685","","","","","","1.05","","","","has coordinates","233251","2020-10-21","18:00:00",""
"7235719","7.0612","0.0005","17.0603","0.0015","10.3203","0.001","90","","97.42","0.007","90","","1232.84","0.18","292.3","0.7","292.3","0.7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 N3 O3 -","- C10 H17 N3 O3 -","- C40 H68 N12 O12 -","4","1","","Zhu, YuanRong; Li, Hui; Shi, BingBing; Qu, WenJuan; Zhang, YouMing; Lin, Qi; Yao, Hong; Wei, TaiBao","A reversible fluorescent chemosensor for the rapid detection of mercury ions (ii) in water with high sensitivity and selectivity","RSC Adv.","2014","4","106","61320","","10.1039/C4RA09961C","","","0.71073","MoKα","","0.0979","0.0629","","","0.1739","0.2025","","","","","","1.102","","","","has coordinates","233253","2020-10-21","18:00:00",""
"7235720","5.0614","0.0019","17.562","0.006","19.408","0.008","90","","90","","90","","1725.1","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","- C64 H112 N8 O20 -","4","1","","Chavan, Subhash P.; Chavan, Prakash N.; Gonnade, Rajesh G.","Stereospecific synthetic approach towards Tamiflu using the Ramberg–Backlund reaction from cysteine hydrochloride","RSC Adv.","2014","4","107","62281","","10.1039/C4RA10391B","","","0.71073","MoKα","","0.1696","0.0967","","","0.2631","0.3175","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235722","6.658","0.002","13.408","0.004","15.881","0.005","90","","90","","90","","1417.7","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 Cl7 N Nb O -","- C5 H9 Cl7 N Nb O -","- C20 H36 Cl28 N4 Nb4 O4 -","4","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","A simple route to thermally-stable salts of pyrrolidinium-2-carbonylchloride","RSC Adv.","2014","4","105","60878","","10.1039/C4RA12630K","","","0.71073","MoKα","","0.0259","0.0238","","","0.0492","0.0502","","","","","","1.046","","","","has coordinates","233259","2020-10-21","18:00:00",""
"7235723","7.723","0.0013","11.633","0.002","15.913","0.003","90","","90","","90","","1429.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 Cl7 N O Ta -","- C5 H9 Cl7 N O Ta -","- C20 H36 Cl28 N4 O4 Ta4 -","4","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","A simple route to thermally-stable salts of pyrrolidinium-2-carbonylchloride","RSC Adv.","2014","4","105","60878","","10.1039/C4RA12630K","","","0.71073","MoKα","","0.0243","0.0236","","","0.0523","0.0527","","","","","","1.053","","","","has coordinates","233259","2020-10-21","18:00:00",""
"7236121","9.9843","0.0011","12.0891","0.0013","21.21","0.002","81.7599","0.0014","81.9494","0.0014","73.6137","0.0013","2417.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H18 O2 S6 -","- C79 H18 O2 S6 -","- C158 H36 O4 S12 -","2","1","","Huang, Shaohua; Zhang, Guangye; Knutson, Nicholas S.; Fontana, Matthew T.; Huber, Rachel C.; Ferreira, Amy S.; Tolbert, Sarah H.; Schwartz, Benjamin J.; Rubin, Yves","Beyond PCBM: methoxylated 1,4-bisbenzyl[60]fullerene adducts for efficient organic solar cells","Journal of Materials Chemistry A","2016","4","2","416","","10.1039/C5TA07688A","","","0.71073","MoKα","","0.0876","0.0719","","","0.1799","0.1887","","","","","","1.131","","","","has coordinates,has disorder","233935","2020-10-21","18:00:00",""
"7236122","22.5676","0.0011","10.4737","0.0005","19.3379","0.001","90","","91.007","0.004","90","","4570.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C79 H22 O4 S2 -","- C79 H22 O4 S2 -","- C316 H88 O16 S8 -","4","1","","Huang, Shaohua; Zhang, Guangye; Knutson, Nicholas S.; Fontana, Matthew T.; Huber, Rachel C.; Ferreira, Amy S.; Tolbert, Sarah H.; Schwartz, Benjamin J.; Rubin, Yves","Beyond PCBM: methoxylated 1,4-bisbenzyl[60]fullerene adducts for efficient organic solar cells","Journal of Materials Chemistry A","2016","4","2","416","","10.1039/C5TA07688A","","","1.54178","CuKα","","0.1405","0.0853","","","0.1937","0.222","","","","","","1.023","","","","has coordinates","233935","2020-10-21","18:00:00",""
"7236123","7.864","0.003","10.055","0.004","15.262","0.006","73.795","0.006","81.426","0.007","81.877","0.007","1139.6","0.8","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N4 O8 -","- C22 H30 N4 O8 -","- C44 H60 N8 O16 -","2","1","","Bera, Santu; Haldar, Debasish","A rechargeable self-healing safety fuel gel","Journal of Materials Chemistry A","2016","4","18","6933","","10.1039/C5TA08010J","","","0.71073","MoKα","","0.08","0.0455","","","0.1165","0.1506","","","","","","0.779","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236124","18.5126","0.0012","18.5126","0.0012","22.922","0.003","90","","90","","90","","7855.7","1.3","296","2","296","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C27 H36.5 N3 Ni1.5 O12.25 P3 -","- C27 H27.5 N3 Ni1.5 O12.25 P3 -","- C216 H220 N24 Ni12 O98 P24 -","8","0.5","","Zhao, Xuebo; Bell, Jon G.; Tang, Si-Fu; Li, Liangjun; Thomas, K. Mark","Kinetic molecular sieving, thermodynamic and structural aspects of gas/vapor sorption on metal organic framework [Ni1.5(4,4′-bipyridine)1.5(H3L)(H2O)3][H2O]7 where H6L = 2,4,6-trimethylbenzene-1,3,5-triyl tris(methylene)triphosphonic acid","Journal of Materials Chemistry A","2016","4","4","1353","","10.1039/C5TA08261G","","","0.71073","MoKα","","0.1179","0.0585","","","0.1313","0.1468","","","","","","0.857","","","","has coordinates","233940","2020-10-21","18:00:00",""
"7236125","18.5564","0.0016","18.5564","0.0016","22.937","0.004","90","","90","","90","","7898.1","1.7","296","2","296","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C27 H37 N3 Ni1.5 O12.5 P3 -","- C27 H27.5 N3 Ni1.5 O12.5 P3 -","- C216 H220 N24 Ni12 O100 P24 -","8","0.5","","Zhao, Xuebo; Bell, Jon G.; Tang, Si-Fu; Li, Liangjun; Thomas, K. Mark","Kinetic molecular sieving, thermodynamic and structural aspects of gas/vapor sorption on metal organic framework [Ni1.5(4,4′-bipyridine)1.5(H3L)(H2O)3][H2O]7 where H6L = 2,4,6-trimethylbenzene-1,3,5-triyl tris(methylene)triphosphonic acid","Journal of Materials Chemistry A","2016","4","4","1353","","10.1039/C5TA08261G","","","0.71073","MoKα","","0.1402","0.0856","","","0.1941","0.2226","","","","","","1.025","","","","has coordinates","233940","2020-10-21","18:00:00",""
"7236126","31.535","0.0002","31.535","0.0002","31.535","0.0002","90","","90","","90","","31360.2","0.3","298","2","298","2","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- C108 H88 Mo24 N24 O82 P2 Zn3 -","- C108 H84 Mo24 N24 O80 P2 Zn3 -","- C864 H672 Mo192 N192 O640 P16 Zn24 -","8","0.0833333","","Yang, Xiaojian; Feng, Xiaojia; Tan, Huaqiao; Zang, Hongying; Wang, Xinlong; Wang, Yonghui; Wang, Enbo; Li, Yangguang","N-Doped graphene-coated molybdenum carbide nanoparticles as highly efficient electrocatalysts for the hydrogen evolution reaction","Journal of Materials Chemistry A","2016","4","10","3947","","10.1039/C5TA09507G","","","0.71073","MoKα","","0.0814","0.0715","","","0.1245","0.129","","","","","","1.086","","","","has coordinates,has disorder","233942","2020-10-21","18:00:00",""
"7236127","13.7949","0.0005","18.8786","0.0006","19.6726","0.0008","90","","105.417","0.004","90","","4938.9","0.3","298","2","298","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C64 H84 Cl Mo13 N17 O48 P Zn3 -","- C64 H40 Cl Mo13 N17 O45 P Zn3 -","- C128 H80 Cl2 Mo26 N34 O90 P2 Zn6 -","2","0.5","","Yang, Xiaojian; Feng, Xiaojia; Tan, Huaqiao; Zang, Hongying; Wang, Xinlong; Wang, Yonghui; Wang, Enbo; Li, Yangguang","N-Doped graphene-coated molybdenum carbide nanoparticles as highly efficient electrocatalysts for the hydrogen evolution reaction","Journal of Materials Chemistry A","2016","4","10","3947","","10.1039/C5TA09507G","","","0.71073","MoKα","","0.072","0.0468","","","0.1146","0.1295","","","","","","1.082","","","","has coordinates,has disorder","233942","2020-10-21","18:00:00",""
"7236128","16.562","0.009","5.114","0.003","25.032","0.014","90","","90","","90","","2120","2","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H4 N8 O7 -","- C5 H4 N8 O7 -","- C40 H32 N64 O56 -","8","2","","Tang, Yongxing; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","C–N bonded energetic biheterocyclic compounds with good detonation performance and high thermal stability","Journal of Materials Chemistry A","2016","4","10","3879","","10.1039/C5TA09803C","","","0.71073","MoKα","","0.1055","0.0447","","","0.077","0.0984","","","","","","0.894","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7236129","9.1184","0.0006","5.8156","0.0004","18.7848","0.001","90","","91.848","0.005","90","","995.62","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br2 Ge2 O6 -","- C18 H18 Br2 Ge2 O6 -","- C36 H36 Br4 Ge4 O12 -","2","0.5","","Kitschke, Philipp; Walter, Marc; Rüffer, Tobias; Seifert, Andreas; Speck, Florian; Seyller, Thomas; Spange, Stefan; Lang, Heinrich; Auer, Alexander A.; Kovalenko, Maksym V.; Mehring, Michael","Porous Ge@C materials via twin polymerization of germanium(ii) salicyl alcoholates for Li-ion batteries","Journal of Materials Chemistry A","2016","4","7","2705","","10.1039/C5TA09891B","","","0.71073","MoKα","","0.0589","0.0398","","","0.0891","0.0927","","","","","","0.916","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236130","11.5755","0.0003","16.1191","0.001","11.8463","0.0004","90","","110.168","0.004","90","","2074.83","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Ge3 O6 -","- C21 H18 Ge3 O6 -","- C84 H72 Ge12 O24 -","4","1","","Kitschke, Philipp; Walter, Marc; Rüffer, Tobias; Seifert, Andreas; Speck, Florian; Seyller, Thomas; Spange, Stefan; Lang, Heinrich; Auer, Alexander A.; Kovalenko, Maksym V.; Mehring, Michael","Porous Ge@C materials via twin polymerization of germanium(ii) salicyl alcoholates for Li-ion batteries","Journal of Materials Chemistry A","2016","4","7","2705","","10.1039/C5TA09891B","","","1.54184","CuKα","","0.0366","0.0345","","","0.0909","0.093","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236131","5.04","0.0008","5.7142","0.0006","13.393","0.002","78.607","0.011","81.131","0.014","89.16","0.011","373.54","0.09","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 Ge2 O4 -","- C16 H16 Ge2 O4 -","- C16 H16 Ge2 O4 -","1","0.5","","Kitschke, Philipp; Walter, Marc; Rüffer, Tobias; Seifert, Andreas; Speck, Florian; Seyller, Thomas; Spange, Stefan; Lang, Heinrich; Auer, Alexander A.; Kovalenko, Maksym V.; Mehring, Michael","Porous Ge@C materials via twin polymerization of germanium(ii) salicyl alcoholates for Li-ion batteries","Journal of Materials Chemistry A","2016","4","7","2705","","10.1039/C5TA09891B","","","0.71073","MoKα","","0.062","0.0597","","","0.1783","0.1798","","","","","","1.104","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236132","14.4998","0.0003","14.4998","0.0003","14.6335","0.0006","90","","90","","90","","3076.61","0.15","110","","110","","","","","","","","","4","I -4","I -4","82","","","","- C61 H60 Ge8 O16 -","- C61 H60 Ge8 O16 -","- C122 H120 Ge16 O32 -","2","0.25","","Kitschke, Philipp; Walter, Marc; Rüffer, Tobias; Seifert, Andreas; Speck, Florian; Seyller, Thomas; Spange, Stefan; Lang, Heinrich; Auer, Alexander A.; Kovalenko, Maksym V.; Mehring, Michael","Porous Ge@C materials via twin polymerization of germanium(ii) salicyl alcoholates for Li-ion batteries","Journal of Materials Chemistry A","2016","4","7","2705","","10.1039/C5TA09891B","","","0.71073","MoKα","","0.0235","0.0219","","","0.0458","0.0463","","","","","","1.041","","","","has coordinates","233946","2020-10-21","18:00:00",""
"7236133","9.1162","0.0006","7.8445","0.0005","14.193","0.0009","90","","104.811","0.002","90","","981.25","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 N9 O3 -","- C5 H9 N9 O3 -","- C20 H36 N36 O12 -","4","1","","Yin, Ping; He, Chunlin; Shreeve, Jean'ne M.","Fused heterocycle-based energetic salts: alliance of pyrazole and 1,2,3-triazole","Journal of Materials Chemistry A","2016","4","4","1514","","10.1039/C5TA09999D","","x-ray","0.71073","MoKα","","0.0479","0.0354","","","0.0824","0.0882","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236134","21.0998","0.0014","3.843","0.0003","25.414","0.002","90","","93.027","0.002","90","","2057.9","0.3","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C5 H10 N10 O3 -","- C5 H10 N10 O3 -","- C40 H80 N80 O24 -","8","1","","Yin, Ping; He, Chunlin; Shreeve, Jean'ne M.","Fused heterocycle-based energetic salts: alliance of pyrazole and 1,2,3-triazole","Journal of Materials Chemistry A","2016","4","4","1514","","10.1039/C5TA09999D","","x-ray","0.71073","MoKα","","0.0554","0.0391","","","0.082","0.0887","","","","","","1.111","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236135","3.7431","0.0002","14.0603","0.0008","21.1275","0.0011","90","","93.387","0.003","90","","1109.98","0.1","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H F8 N S -","- C12 H F8 N S -","- C48 H4 F32 N4 S4 -","4","1","","Kaur, Aman Preet; Casselman, Matthew D.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Odom, Susan A.","Overcharge protection of lithium-ion batteries above 4 V with a perfluorinated phenothiazine derivative","Journal of Materials Chemistry A","2016","4","15","5410","","10.1039/C5TA10375D","","","1.54178","CuKα","","0.0488","0.0428","","","0.1003","0.1033","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236136","15.9072","0.0011","5.9576","0.0004","16.081","0.001","90","","115.262","0.003","90","","1378.23","0.16","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H5 F8 N S -","- C14 H5 F8 N S -","- C56 H20 F32 N4 S4 -","4","1","","Kaur, Aman Preet; Casselman, Matthew D.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Odom, Susan A.","Overcharge protection of lithium-ion batteries above 4 V with a perfluorinated phenothiazine derivative","Journal of Materials Chemistry A","2016","4","15","5410","","10.1039/C5TA10375D","","","1.54178","CuKα","","0.0495","0.0407","","","0.1085","0.1158","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236137","29.2116","0.0009","29.2116","0.0009","29.2116","0.0009","90","","90","","90","","24926.8","1.3","100","","150","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C84 H52 Hf6 N18 O32 -","- C84 H52 Hf6 N18 O32 -","- C336 H208 Hf24 N72 O128 -","4","0.0208333","","Marshall, Ross J.; Hobday, Claire L.; Murphie, Colin F.; Griffin, Sarah L.; Morrison, Carole A.; Moggach, Stephen A.; Forgan, Ross S.","Amino acids as highly efficient modulators for single crystals of zirconium and hafnium metal‒organic frameworks","Journal of Materials Chemistry A","2016","4","18","6955","","10.1039/C5TA10401G","","x-ray","0.71073","MoKα","","0.0901","0.0739","","0.1729","0.1634","0.1729","","","","","","0.9884","","","","has coordinates","233952","2020-10-21","18:00:00",""
"7236138","26.74515","0.00008","26.74515","0.00008","26.74515","0.00008","90","","90","","90","","19130.9","0.1","120","","120","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C84 H52 Hf6 O32 -","- C84 H52 Hf6 O32 -","- C336 H208 Hf24 O128 -","4","0.0208333","","Marshall, Ross J.; Hobday, Claire L.; Murphie, Colin F.; Griffin, Sarah L.; Morrison, Carole A.; Moggach, Stephen A.; Forgan, Ross S.","Amino acids as highly efficient modulators for single crystals of zirconium and hafnium metal‒organic frameworks","Journal of Materials Chemistry A","2016","4","18","6955","","10.1039/C5TA10401G","","x-ray","1.54178","CuKα","","0.0385","0.0373","","0.1017","0.1001","0.1017","","","","","","1.0529","","","","has coordinates","233952","2020-10-21","18:00:00",""
"7236139","16.7581","0.0007","18.8268","0.0009","38.9998","0.0018","90","","90","","90","","12304.5","1","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","VNU-15","","- C18 H21 Fe2 N2 O14 S2 -","- C18 H21 Fe2 N2 O14 S2 -","- C288 H336 Fe32 N32 O224 S32 -","16","0.5","","Tu, Thach N.; Phan, Nghi Q.; Vu, Thanh T.; Nguyen, Ha L.; Cordova, Kyle E.; Furukawa, Hiroyasu","High proton conductivity at low relative humidity in an anionic Fe-based metal‒organic framework","Journal of Materials Chemistry A","2016","4","10","3638","","10.1039/C5TA10467J","","","1.54178","CuKα","","0.0768","0.0547","","","0.1226","0.1324","","","","","","1.07","","","","has coordinates,has disorder","233954","2020-10-21","18:00:00",""
"7236140","12.9672","0.0005","4.22937","0.00014","24.0975","0.0008","90","","100.972","0.004","90","","1297.42","0.08","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","BPY@PA","2,2'-bipyridinium-5,5'-diamino hydrogen Phosphate monohydreate","","- C10 H15 N4 O5 P -","- C10 H15 N4 O5 P -","- C40 H60 N16 O20 P4 -","4","1","","Shinde, Digambar Balaji; Aiyappa, Harshitha Barike; Bhadra, Mohitosh; Biswal, Bishnu P.; Wadge, Pritish; Kandambeth, Sharath; Garai, Bikash; Kundu, Tanay; Kurungot, Sreekumar; Banerjee, Rahul","A mechanochemically synthesized covalent organic framework as a proton-conducting solid electrolyte","Journal of Materials Chemistry A","2016","4","7","2682","","10.1039/C5TA10521H","","x-ray","0.71073","MoKα","","0.0555","0.0465","","","0.1138","0.1205","","","","","","1.084","","","","has coordinates","233956","2020-10-21","18:00:00",""
"7236141","8.6237","0.0009","8.9142","0.001","10.2301","0.0008","73.441","0.009","85.209","0.008","83.669","0.009","748.09","0.13","298","","298","","","","","","","","","5","P -1","-P 1","2","2,2'-bipyridinium-5-amino5'-ammonium bis-dihydrogen Phosphate","BiPy-PA","","- C10 H16 N4 O8 P2 -","- C10 H16 N4 O8 P2 -","- C20 H32 N8 O16 P4 -","2","1","","Shinde, Digambar Balaji; Aiyappa, Harshitha Barike; Bhadra, Mohitosh; Biswal, Bishnu P.; Wadge, Pritish; Kandambeth, Sharath; Garai, Bikash; Kundu, Tanay; Kurungot, Sreekumar; Banerjee, Rahul","A mechanochemically synthesized covalent organic framework as a proton-conducting solid electrolyte","Journal of Materials Chemistry A","2016","4","7","2682","","10.1039/C5TA10521H","","x-ray","0.71073","MoKα","","0.0507","0.0414","","","0.098","0.1066","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236142","6.7212","0.0017","11.023","0.003","11.825","0.003","87.77","0.009","82.156","0.008","78.806","0.007","851.3","0.4","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 N8 O3 -","- C4 H10 N8 O3 -","- C16 H40 N32 O12 -","4","2","","Liu, Qiangqiang; Jin, Bo; Peng, Rufang; Guo, Zhicheng; Zhao, Jun; Zhang, Qingchun; Shang, Yu","Synthesis, characterization and properties of nitrogen-rich compounds based on cyanuric acid: a promising design in the development of new energetic materials","Journal of Materials Chemistry A","2016","4","13","4971","","10.1039/C5TA10688E","","","0.71075","MoKα","","0.0404","0.0338","","","0.0987","0.1059","","","","","","1.064","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236143","5.4748","0.0011","9.655","0.002","9.881","0.002","66.29","0.02","75.35","0.03","72.33","0.03","450.5","0.19","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H8 N8 O4 -","- C4 H8 N8 O4 -","- C8 H16 N16 O8 -","2","1","","Liu, Qiangqiang; Jin, Bo; Peng, Rufang; Guo, Zhicheng; Zhao, Jun; Zhang, Qingchun; Shang, Yu","Synthesis, characterization and properties of nitrogen-rich compounds based on cyanuric acid: a promising design in the development of new energetic materials","Journal of Materials Chemistry A","2016","4","13","4971","","10.1039/C5TA10688E","","","0.71075","MoKα","","0.0823","0.0729","","","0.1961","0.2125","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236144","9.4591","0.0015","6.7214","0.001","9.6711","0.0015","90","","101.349","0.003","90","","602.85","0.16","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H7 N5 O3 -","- C3 H7 N5 O3 -","- C12 H28 N20 O12 -","4","1","","Liu, Qiangqiang; Jin, Bo; Peng, Rufang; Guo, Zhicheng; Zhao, Jun; Zhang, Qingchun; Shang, Yu","Synthesis, characterization and properties of nitrogen-rich compounds based on cyanuric acid: a promising design in the development of new energetic materials","Journal of Materials Chemistry A","2016","4","13","4971","","10.1039/C5TA10688E","","","0.71073","MoKα","","0.0269","0.0254","","","0.0782","0.0792","","","","","","1.056","","","","has coordinates","233959","2020-10-21","18:00:00",""
"7236157","14.3436","0.001","13.8575","0.0009","18.0804","0.0012","90","","112.786","0.002","90","","3313.3","0.4","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35.4 N O3.7 P S -","- C41 H34 N O3 P S -","- C164 H136 N4 O12 P4 S4 -","4","1","","Galpothdeniya, Waduge Indika S.; Fronczek, Frank R.; Cong, Mingyan; Bhattarai, Nimisha; Siraj, Noureen; Warner, Isiah M.","Tunable GUMBOS-based sensor array for label-free detection and discrimination of proteins","Journal of Materials Chemistry B","2016","4","8","1414","","10.1039/C5TB02038G","","","1.54184","CuKα","","0.0606","0.0493","","","0.142","0.1445","","","","","","1.078","","","","has coordinates","233971","2020-10-21","18:00:00",""
"7236158","10.0089","0.0004","10.4658","0.0004","10.8995","0.0004","61.537","0.002","78.686","0.002","66.103","0.002","917.68","0.06","90","0.5","90","0.5","","","","","","","","7","P 1","P 1","1","","","","- C43 H38 Cl2 N O3 P S -","- C43 H38 Cl2 N O3 P S -","- C43 H38 Cl2 N O3 P S -","1","1","","Galpothdeniya, Waduge Indika S.; Fronczek, Frank R.; Cong, Mingyan; Bhattarai, Nimisha; Siraj, Noureen; Warner, Isiah M.","Tunable GUMBOS-based sensor array for label-free detection and discrimination of proteins","Journal of Materials Chemistry B","2016","4","8","1414","","10.1039/C5TB02038G","","","0.71073","MoKα","","0.0501","0.0412","","","0.1001","0.1064","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236159","10.3977","0.0004","18.2132","0.0007","17.4211","0.0006","90","","102.071","0.003","90","","3226.2","0.2","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 N O3 P S -","- C33 H50 N O3 P S -","- C132 H200 N4 O12 P4 S4 -","4","1","","Galpothdeniya, Waduge Indika S.; Fronczek, Frank R.; Cong, Mingyan; Bhattarai, Nimisha; Siraj, Noureen; Warner, Isiah M.","Tunable GUMBOS-based sensor array for label-free detection and discrimination of proteins","Journal of Materials Chemistry B","2016","4","8","1414","","10.1039/C5TB02038G","","","1.54184","CuKα","","0.1341","0.0702","","","0.1605","0.1902","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236292","10.5201","0.0003","16.2972","0.0004","20.9582","0.0006","68.652","0.002","80.004","0.002","71.759","0.002","3171.29","0.16","120","","120","","","","","","","","","4","P -1","-P 1","2","SFX-MeOTAD","2, 2?, 7, 7?-Tetrakis (N, N-di(4-methoxyphenyl)amino) - spiro (fluorene-9, 9?-xanthene)","","- C81 H68 N4 O9 -","- C81 H68 N4 O9 -","- C162 H136 N8 O18 -","2","1","","Maciejczyk, Michal; Ivaturi, Aruna; Robertson, Neil","SFX as a low-cost ‘Spiro’ hole-transport material for efficient perovskite solar cells","Journal of Materials Chemistry A","2016","4","13","4855","","10.1039/C6TA00110F","","x-ray","1.54184","CuKα","","0.0727","0.0609","","","0.1571","0.1668","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236293","9.5612","0.0002","23.4614","0.0004","46.6024","0.001","90","","90","","90","","10453.8","0.4","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","SFX-TCz","2, 2?, 7, 7?-Tetrakis (N, N- carbazolo) - spiro (fluorene-9, 9?-xanthene)","","- C73 H44 N4 O -","- C73 H44 N4 O -","- C584 H352 N32 O8 -","8","1","","Maciejczyk, Michal; Ivaturi, Aruna; Robertson, Neil","SFX as a low-cost ‘Spiro’ hole-transport material for efficient perovskite solar cells","Journal of Materials Chemistry A","2016","4","13","4855","","10.1039/C6TA00110F","","","0.71073","MoKα","","0.1404","0.0916","","","0.2309","0.2673","","","","","","1.039","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7236294","35.54","0.0014","9.8814","0.0002","36.3474","0.0014","90","","119.018","0.005","90","","11162.3","0.8","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","SFX-TPTZ","2, 2?, 7, 7?-Tetrakis (N- phenothiazylo) - spiro (fluorene-9, 9?-xanthene)","","- C76 H51 N4 O S4 -","- C73 H44 N4 O S4 -","- C584 H352 N32 O8 S32 -","8","1","","Maciejczyk, Michal; Ivaturi, Aruna; Robertson, Neil","SFX as a low-cost ‘Spiro’ hole-transport material for efficient perovskite solar cells","Journal of Materials Chemistry A","2016","4","13","4855","","10.1039/C6TA00110F","","x-ray","1.54178","CuKα","","0.081","0.0698","","","0.1817","0.1953","","","","","","1.042","","","","has coordinates,has disorder","235378","2020-10-21","18:00:00",""
"7236295","28.1333","0.0009","28.1333","0.0009","69.411","0.005","90","","90","","120","","47577","4","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C96 H42 O16 Zr3 -","- C96 H42 O16 Zr3 -","- C1152 H504 O192 Zr36 -","12","0.333333","","Chen, Dashu; Xing, Hongzhu; Wang, Chungang; Su, Zhongmin","Highly efficient visible-light-driven CO2 reduction to formate by a new anthracene-based zirconium MOF via dual catalytic routes","Journal of Materials Chemistry A","2016","4","7","2657","","10.1039/C6TA00429F","","","0.71073","MoKα","","0.1125","0.0488","","","0.1289","0.1429","","","","","","0.927","","","","has coordinates","235380","2020-10-21","18:00:00",""
"7236296","7.0482","0.0007","15.5415","0.0018","9.6301","0.0009","90","","94.891","0.003","90","","1051.04","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H7 N9 O6 -","- C4 H7 N9 O6 -","- C16 H28 N36 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.71073","MoKα","","0.0786","0.0392","","","0.0763","0.0881","","","","","","1.028","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236297","6.3136","0.0005","15.3604","0.0013","9.3411","0.0008","90","","98.223","0.002","90","","896.58","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5.26 N7 O6.13 -","- C3 H5.256 N7 O6.128 -","- C12 H21.024 N28 O24.512 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.71073","MoKα","","0.0763","0.0424","","","0.0762","0.0865","","","","","","1.02","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236298","12.707","0.0008","11.6741","0.0008","10.8273","0.0008","90","","99.727","0.007","90","","1583.06","0.19","101.7","","101.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3 N5 O6 -","- C4 H3 N5 O6 -","- C32 H24 N40 O48 -","8","2","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0748","0.0587","","","0.1484","0.1637","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236299","6.4094","0.0009","16.106","0.002","9.1462","0.0011","90","","100.123","0.004","90","","929.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N8 O6 -","- C3 H6 N8 O6 -","- C12 H24 N32 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.71073","MoKα","","0.1081","0.0508","","","0.0931","0.1107","","","","","","1.027","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236300","9.1227","0.0005","7.064","0.0004","16.2597","0.0011","90","","103.139","0.006","90","","1020.39","0.11","98.7","","98.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N10 O6 -","- C3 H6 N10 O6 -","- C12 H24 N40 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0448","0.0368","","","0.084","0.0893","","","","","","1.062","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236301","4.9109","0.0004","27.172","0.002","6.947","0.0006","90","","106.073","0.008","90","","890.76","0.13","101.7","","101.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5.54 N6 O6.54 -","- C4 H5.535 N6 O6.535 -","- C16 H22.14 N24 O26.14 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0542","0.0436","","","0.0979","0.1038","","","","","","1.09","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236302","11.481","0.003","6.6275","0.0016","12.722","0.003","90","","110.433","0.003","90","","907.1","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H3 N7 O7 -","- C3 H3 N7 O7 -","- C12 H12 N28 O28 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.71073","MoKα","","0.0418","0.0402","","","0.0853","0.0862","","","","","","0.999","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236303","4.8027","0.0002","27.5834","0.0014","7.2531","0.0004","90","","104.94","0.006","90","","928.37","0.08","101.7","","101.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N7 O6 -","- C4 H7 N7 O6 -","- C16 H28 N28 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0849","0.0771","","","0.1669","0.1726","","","","","","1.054","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236304","6.43139","0.00019","16.4647","0.0004","16.8638","0.0005","90","","90","","90","","1785.72","0.09","99.4","","99.4","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H5 N9 O6 -","- C2 H5 N9 O6 -","- C16 H40 N72 O48 -","8","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.04","0.0333","","","0.0772","0.0808","","","","","","1.034","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236305","8.0847","0.0003","7.5557","0.0003","14.1232","0.0006","90","","99.661","0.004","90","","850.49","0.06","98.7","","98.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 N8 O6 -","- C2 H4 N8 O6 -","- C8 H16 N32 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0393","0.0319","","","0.0744","0.0786","","","","","","1.07","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236306","4.9037","0.0003","25.6452","0.0014","7.3737","0.0004","90","","106.189","0.006","90","","890.52","0.09","101.7","","101.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N6 O6 -","- C4 H6 N6 O6 -","- C16 H24 N24 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0542","0.0397","","","0.0807","0.0884","","","","","","1.085","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236307","8.1268","0.0005","9.3064","0.0004","14.0786","0.0009","90","","92.296","0.007","90","","1063.93","0.11","101.8","","101.8","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 N8 O6 -","- C5 H8 N8 O6 -","- C20 H32 N32 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0512","0.0403","","","0.0943","0.1023","","","","","","1.087","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236308","6.4054","0.0009","15.829","0.002","8.9085","0.001","90","","99.085","0.004","90","","891.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 N7 O7 -","- C3 H5 N7 O7 -","- C12 H20 N28 O28 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.71073","MoKα","","0.0941","0.0458","","","0.068","0.0787","","","","","","1.03","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236309","10.859","0.002","15.719","0.003","17.294","0.003","90","","100.957","0.003","90","","2898.1","0.9","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Co-BTM-AG","","- C12 H27 Co N36 -","- C12 H27 Co N36 -","- C48 H108 Co4 N144 -","4","1","","Feng, Yongan; Bi, Yangang; Zhao, Wenyuan; Zhang, Tonglai","Anionic metal–organic frameworks lead the way to eco-friendly high-energy-density materials","Journal of Materials Chemistry A","2016","4","20","7596","","10.1039/C6TA02340A","","","0.71073","MoKα","","0.0619","0.0547","","","0.1511","0.1593","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236310","11.59","0.005","10.2064","0.0005","8.269","0.004","90","","107.1","0.05","90","","934.9","0.7","101.8","","101.8","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cu-BTM-AG","","- C8 H18 Cu N24 -","- C8 H18 Cu N24 -","- C16 H36 Cu2 N48 -","2","0.5","","Feng, Yongan; Bi, Yangang; Zhao, Wenyuan; Zhang, Tonglai","Anionic metal‒organic frameworks lead the way to eco-friendly high-energy-density materials","Journal of Materials Chemistry A","2016","4","20","7596","","10.1039/C6TA02340A","","","0.7107","MoKα","","0.0333","0.0293","","","0.0663","0.068","","","","","","1.091","","","","has coordinates","235389","2020-10-21","18:00:00",""
"7236311","7.6782","0.0004","10.4292","0.0006","8.3545","0.0004","90","","112.18","0.003","90","","619.5","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 N8 O10 -","- C6 H4 N8 O10 -","- C12 H8 N16 O20 -","2","0.5","","Zhang, Jiaheng; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","N-functionalized nitroxy/azido fused-ring azoles as high-performance energetic materials","Journal of Materials Chemistry A","2016","4","19","7430","","10.1039/C6TA02384C","","x-ray","1.54178","CuKα","","0.053","0.04","","","0.0864","0.0924","","","","","","1.1","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236312","10.523","0.007","5.429","0.004","10.246","0.007","90","","105.233","0.01","90","","564.8","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N8 O8 -","- C6 H4 N8 O8 -","- C12 H8 N16 O16 -","2","0.5","","Zhang, Jiaheng; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","N-functionalized nitroxy/azido fused-ring azoles as high-performance energetic materials","Journal of Materials Chemistry A","2016","4","19","7430","","10.1039/C6TA02384C","","","0.71073","MoKα","","0.0793","0.0445","","","0.1229","0.1609","","","","","","1.04","","","","has coordinates,has disorder","235391","2020-10-21","18:00:00",""
"7236313","12.7227","0.0014","11.8045","0.0013","8.1445","0.0009","90","","96.2","0.004","90","","1216","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 N8 O8 -","- C7 H4 N8 O8 -","- C28 H16 N32 O32 -","4","1","","Zhang, Jiaheng; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","N-functionalized nitroxy/azido fused-ring azoles as high-performance energetic materials","Journal of Materials Chemistry A","2016","4","19","7430","","10.1039/C6TA02384C","","","0.71073","MoKα","","0.0963","0.0479","","","0.1182","0.1411","","","","","","1.012","","","","has coordinates","235391","2020-10-21","18:00:00",""
"7236314","6.4891","0.0003","8.1203","0.0004","13.7172","0.0007","98.647","0.001","92.085","0.001","109.154","0.002","672.18","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H4 N10 O10 -","- C6 H4 N10 O10 -","- C12 H8 N20 O20 -","2","1","","Zhang, Jiaheng; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","N-functionalized nitroxy/azido fused-ring azoles as high-performance energetic materials","Journal of Materials Chemistry A","2016","4","19","7430","","10.1039/C6TA02384C","","","0.71073","MoKα","","0.0426","0.0333","","","0.0862","0.094","","","","","","1.088","","","","has coordinates","235391","2020-10-21","18:00:00",""
"7236315","5.3875","0.0003","29.3488","0.0015","5.9481","0.0003","90","","113.925","0.002","90","","859.68","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N7 -","- C6 H9 N7 -","- C24 H36 N28 -","4","1","","Kumar, Dheeraj; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Connecting energetic nitropyrazole and aminotetrazole moieties with N,N′-ethylene bridges: A promising approach for fine tuning energetic properties","Journal of Materials Chemistry A","2016","4","23","9220","","10.1039/C6TA02387H","","","0.71073","MoKα","","0.0778","0.0492","","","0.1102","0.1209","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236316","13.6239","0.0004","8.6674","0.0003","10.3971","0.0003","90","","109.82","0.001","90","","1155","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N9 O5 -","- C6 H9 N9 O5 -","- C24 H36 N36 O20 -","4","1","","Kumar, Dheeraj; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Connecting energetic nitropyrazole and aminotetrazole moieties with N,N′-ethylene bridges: A promising approach for fine tuning energetic properties","Journal of Materials Chemistry A","2016","4","23","9220","","10.1039/C6TA02387H","","","0.71073","MoKα","","0.0501","0.0363","","","0.104","0.1149","","","","","","0.972","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236317","6.7935","0.0003","16.52","0.0007","8.3969","0.0004","90","","98.104","0.002","90","","932.96","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N8 O -","- C6 H8 N8 O -","- C24 H32 N32 O4 -","4","1","","Kumar, Dheeraj; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Connecting energetic nitropyrazole and aminotetrazole moieties with N,N′-ethylene bridges: A promising approach for fine tuning energetic properties","Journal of Materials Chemistry A","2016","4","23","9220","","10.1039/C6TA02387H","","","0.71073","MoKα","","0.0726","0.0371","","","0.0891","0.1011","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236318","20.688","0.004","5.4867","0.0011","12.0035","0.0019","90","","104.552","0.012","90","","1318.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cl N10 O7 -","- C6 H6 Cl N10 O7 -","- C24 H24 Cl4 N40 O28 -","4","1","","Kumar, Dheeraj; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Connecting energetic nitropyrazole and aminotetrazole moieties with N,N′-ethylene bridges: A promising approach for fine tuning energetic properties","Journal of Materials Chemistry A","2016","4","23","9220","","10.1039/C6TA02387H","","","1.54178","CuKα","","0.1011","0.0743","","","0.1752","0.1893","","","","","","1.136","","","","has coordinates","235393","2020-10-21","18:00:00",""
"7236319","8.6681","0.0016","9.2226","0.0017","14.411","0.003","90","","103.053","0.002","90","","1122.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 Br N6 O6 -","- C5 H7 Br N6 O6 -","- C20 H28 Br4 N24 O24 -","4","1","","Kumar, Dheeraj; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Connecting energetic nitropyrazole and aminotetrazole moieties with N,N′-ethylene bridges: A promising approach for fine tuning energetic properties","Journal of Materials Chemistry A","2016","4","23","9220","","10.1039/C6TA02387H","","","0.71073","MoKα","","0.0256","0.0228","","","0.0538","0.0551","","","","","","1.086","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236320","7.1049","0.0002","9.063","0.0003","17.4419","0.0005","93.227","0.002","100.858","0.002","92.641","0.002","1099.42","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N10 O4 -","- C6 H8 N10 O4 -","- C24 H32 N40 O16 -","4","2","","Kumar, Dheeraj; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Connecting energetic nitropyrazole and aminotetrazole moieties with N,N′-ethylene bridges: A promising approach for fine tuning energetic properties","Journal of Materials Chemistry A","2016","4","23","9220","","10.1039/C6TA02387H","","","1.54178","CuKα","","0.0958","0.0571","","","0.1364","0.162","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236321","14.623","0.0005","18.453","0.0006","10.3923","0.0003","90","","90","","90","","2804.24","0.16","147","2","147","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubNc","(Chloro)(subnaphthalocyaninato)boron","","- C36 H16.87 B Cl2.13 N6 -","- C36 H16.866 B Cl2.134 N6 -","- C144 H67.464 B4 Cl8.536 N24 -","4","0.5","","Dang, Jeremy D.; Josey, David S.; Lough, Alan J.; Li, Yiying; Sifate, Alaa; Lu, Zheng-Hong; Bender, Timothy P.","The mixed alloyed chemical composition of chloro-(chloro)n-boron subnaphthalocyanines dictates their physical properties and performance in organic photovoltaic devices","Journal of Materials Chemistry A","2016","4","24","9566","","10.1039/C6TA02457B","","","1.54178","CuKα","","0.06","0.0494","","","0.1263","0.1366","","","","","","1.042","","","","has coordinates,has disorder","235395","2020-10-21","18:00:00",""
"7236322","14.9062","0.0005","18.3548","0.0006","10.7766","0.0003","90","","90","","90","","2948.48","0.16","147","2","147","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubNc","(Chloro)(subnaphthalocyaninato)boron","","- C36 H15.04 B Cl3.96 N6 -","- C36 H15.042 B Cl3.958 N6 -","- C144 H60.168 B4 Cl15.832 N24 -","4","0.5","","Dang, Jeremy D.; Josey, David S.; Lough, Alan J.; Li, Yiying; Sifate, Alaa; Lu, Zheng-Hong; Bender, Timothy P.","The mixed alloyed chemical composition of chloro-(chloro)n-boron subnaphthalocyanines dictates their physical properties and performance in organic photovoltaic devices","Journal of Materials Chemistry A","2016","4","24","9566","","10.1039/C6TA02457B","","","1.54178","CuKα","","0.0486","0.041","","","0.1005","0.1084","","","","","","1.095","","","","has coordinates,has disorder","235395","2020-10-21","18:00:00",""
"7236323","6.1712","0.0003","8.0425","0.0005","10.4934","0.0004","90","","98.806","0.004","90","","514.67","0.05","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H20 B2 N P -","- C4 H20 B2 N P -","- C8 H40 B4 N2 P2 -","2","0.5","","Zhang, Wenquan; Qi, Xiujuan; Huang, Shi; Li, Jianling; Tang, Chenglong; Li, Jinshan; Zhang, Qinghua","Bis(borano)hypophosphite-based ionic liquids as ultrafast-igniting hypergolic fuels","Journal of Materials Chemistry A","2016","4","23","8978","","10.1039/C6TA02699K","","","1.54184","CuKα","","0.0674","0.0614","","","0.177","0.1863","","","","","","1.116","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7236324","18.6923","0.0004","18.6923","0.0004","38.2023","0.0006","90","","90","","120","","11559.7","0.4","150.02","0.1","150.02","0.1","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C11.5 H4 Cu N0 O6 -","- C11.5 H4 Cu O6 -","- C207 H72 Cu18 O108 -","18","0.5","","Liu, Xiuping; Xiao, Zhenyu; Xu, Jing; Xu, Wenbin; Sang, Pengpeng; Zhao, Lianming; Zhu, Houyu; Sun, Daofeng; Guo, Wenyue","A NbO-type copper metal‒organic framework decorated with carboxylate groups exhibiting highly selective CO2adsorption and separation of organic dyes","Journal of Materials Chemistry A","2016","4","36","13844","","10.1039/C6TA02908F","","","1.54184","CuKα","","0.0833","0.0789","","","0.2742","0.2887","","","","","","1.344","","","","has coordinates","235398","2020-10-21","18:00:00",""
"7236325","18.302","0.007","5.631","0.002","11.142","0.004","90","","97.094","0.01","90","","1139.5","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cl N9 O4 -","- C6 H6 Cl N9 O4 -","- C24 H24 Cl4 N36 O16 -","4","1","","Kumar, Dheeraj; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Asymmetric N,N′-ethylene-bridged azole-based compounds: Two way control of the energetic properties of compounds","Journal of Materials Chemistry A","2016","4","25","9931","","10.1039/C6TA03536A","","","0.71073","MoKα","","0.1","0.0751","","","0.2088","0.2396","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236326","7.9667","0.0005","12.8656","0.0009","10.6222","0.0007","90","","108.131","0.002","90","","1034.68","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 N10 O4 -","- C5 H6 N10 O4 -","- C20 H24 N40 O16 -","4","1","","Kumar, Dheeraj; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Asymmetric N,N′-ethylene-bridged azole-based compounds: Two way control of the energetic properties of compounds","Journal of Materials Chemistry A","2016","4","25","9931","","10.1039/C6TA03536A","","","0.71073","MoKα","","0.0595","0.037","","","0.0812","0.0903","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236327","10.042","0.008","6.453","0.005","27.04","0.02","90","","99.147","0.011","90","","1730","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N10 O2 -","- C4 H6 N10 O2 -","- C32 H48 N80 O16 -","8","2","","Kumar, Dheeraj; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Asymmetric N,N′-ethylene-bridged azole-based compounds: Two way control of the energetic properties of compounds","Journal of Materials Chemistry A","2016","4","25","9931","","10.1039/C6TA03536A","","","0.71073","MoKα","","0.1221","0.0933","","","0.2689","0.2974","","","","","","1.143","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236328","14.8551","0.0019","5.9407","0.0007","28.617","0.003","90","","105.001","0.009","90","","2439.4","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 N14 O2 -","- C6 H6 N14 O2 -","- C48 H48 N112 O16 -","8","1","","Kumar, Dheeraj; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Asymmetric N,N′-ethylene-bridged azole-based compounds: Two way control of the energetic properties of compounds","Journal of Materials Chemistry A","2016","4","25","9931","","10.1039/C6TA03536A","","","0.71073","MoKα","","0.1369","0.0631","","","0.1467","0.1752","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236329","10.7252","0.0007","8.3018","0.0006","11.0809","0.0007","90","","106.203","0.003","90","","947.44","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H2 N8 O8 -","- C4 H2 N8 O8 -","- C16 H8 N32 O32 -","4","1","","He, Chunlin; Tang, Yongxing; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","N-Oxides light up energetic performances: synthesis and characterization of dinitraminobisfuroxans and their salts","Journal of Materials Chemistry A","2016","4","23","8969","","10.1039/C6TA03619H","","x-ray","0.71073","MoKα","","0.0416","0.0307","","","0.0692","0.0743","","","","","","1.043","","","","has coordinates","235403","2020-10-21","18:00:00",""
"7236330","5.7692","0.0007","7.321","0.001","8.4065","0.001","64.804","0.004","87.429","0.004","67.479","0.004","293.79","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H8 N10 O8 -","- C4 H8 N10 O8 -","- C4 H8 N10 O8 -","1","0.5","","He, Chunlin; Tang, Yongxing; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","N-Oxides light up energetic performances: synthesis and characterization of dinitraminobisfuroxans and their salts","Journal of Materials Chemistry A","2016","4","23","8969","","10.1039/C6TA03619H","","","0.71073","MoKα","","0.0337","0.0314","","","0.09","0.0922","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236331","36.24","0.004","36.24","","36.24","","90","","90","","90","","47595","5","123","2","123","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C928 H496 Cu96 N32 O456 -","- C928.32 H498.24 Cu96 N31.68 O456 -","- C928.32 H498.24 Cu96 N31.68 O456 -","1","0.00520833","","Liu, Jianqiang; Liu, Guoliang; Gu, Chuying; Liu, Weicong; Xu, Jingwen; Li, Baohong; Wang, Wenjing","Rational synthesis of a novel 3,3,5-c polyhedral metal‒organic framework with high thermal stability and hydrogen storage capability","Journal of Materials Chemistry A","2016","4","30","11630","","10.1039/C6TA03675A","","","0.71073","MoKα","","0.1138","0.0909","","","0.2623","0.2816","","","","","","1.188","","","","has coordinates,has disorder","235406","2020-10-21","18:00:00",""
"7236332","8.5821","0.0003","8.5821","0.0003","21.7678","0.0008","90","","90","","120","","1388.46","0.09","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","MAIB","Trimethylammonium dibismuth nonaiodide","","- C3 H9 Bi2 I9 N3 -","- C3 Bi2 I9 N3 -","- C6 Bi4 I18 N6 -","2","0.0833333","","Abulikemu, Mutalifu; Ould-Chikh, Samy; Miao, Xiaohe; Alarousu, Erkki; Murali, Banavoth; Ngongang Ndjawa, Guy Olivier; Barbé, Jérémy; El Labban, Abdulrahman; Amassian, Aram; Del Gobbo, Silvano","Optoelectronic and photovoltaic properties of the air-stable organohalide semiconductor (CH3NH3)3Bi2I9","Journal of Materials Chemistry A","2016","4","32","12504","","10.1039/C6TA04657F","","x-ray","0.71073","MoKα","","0.0422","0.0357","","","0.0909","0.0959","","","","","","1.105","","","","has coordinates","235409","2020-10-21","18:00:00",""
"7236333","23.3588","0.0003","23.3588","0.0003","31.3531","0.001","90","","90","","90","","17107.3","0.6","103","2","103","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C54 H36 Co3 N42 O0 S6 -","- C54 H36 Co3 N42 S6 -","- C432 H288 Co24 N336 S48 -","8","0.5","","Liang, Linfeng; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Qian, Jinjie; Lv, Guangxun; Xue, Hui; Liu, Luyao; Jiang, Hai-Long; Hong, Maochun","In situ large-scale construction of sulfur-functionalized metal‒organic framework and its efficient removal of Hg(ii) from water","Journal of Materials Chemistry A","2016","4","40","15370","","10.1039/C6TA04927C","","","1.54184","CuKα","","0.0983","0.0839","","","0.2475","0.2598","","","","","","1.067","","","","has coordinates","235411","2020-10-21","18:00:00",""
"7236334","10.0682","0.0005","9.943","0.0005","10.5715","0.0006","90","","97.524","0.001","90","","1049.18","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 N11 O3 -","- C4 H9 N11 O3 -","- C16 H36 N44 O12 -","4","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Design and synthesis of N-methylene-C linked tetrazole and nitramino-1,2,4-triazole: an approach to promising energetic materials","Journal of Materials Chemistry A","2016","4","36","13923","","10.1039/C6TA05057C","","","0.71073","MoKα","","0.0334","0.0313","","","0.0859","0.0887","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236335","3.8438","0.0008","14.463","0.003","23.861","0.005","90","","90.988","0.003","90","","1326.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H13 N13 O7 -","- C4 H13 N13 O7 -","- C16 H52 N52 O28 -","4","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Design and synthesis of N-methylene-C linked tetrazole and nitramino-1,2,4-triazole: an approach to promising energetic materials","Journal of Materials Chemistry A","2016","4","36","13923","","10.1039/C6TA05057C","","","0.71073","MoKα","","0.1541","0.061","","","0.1097","0.1363","","","","","","0.97","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236336","16.6803","0.0014","3.7404","0.0003","42.897","0.004","90","","90","","90","","2676.4","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H14 N15 O4.5 -","- C4 H14 N15 O4.5 -","- C32 H112 N120 O36 -","8","2","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Design and synthesis of N-methylene-C linked tetrazole and nitramino-1,2,4-triazole: an approach to promising energetic materials","Journal of Materials Chemistry A","2016","4","36","13923","","10.1039/C6TA05057C","","","1.54178","CuKα","","0.051","0.0493","","","0.1281","0.1299","","","","","","1.076","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236337","10.131","0.002","19.071","0.004","20.791","0.004","90","","90","","90","","4017","1.4","298","2","298.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Co N7 O6 -","- C18 H11 Co N7 O6 -","- C144 H88 Co8 N56 O48 -","8","1","","Han, Xiao; Chen, Wen-Miao; Han, Xiguang; Tan, Yuan-Zhi; Sun, Di","Nitrogen-rich MOF derived porous Co3O4/N‒C composites with superior performance in lithium-ion batteries","Journal of Materials Chemistry A","2016","4","34","13040","","10.1039/C6TA05096D","","","0.71","MoKα","","0.0577","0.037","","","0.0836","0.0933","","","","","","1.039","","","","has coordinates","235416","2020-10-21","18:00:00",""
"7236338","12.4957","0.001","15.3163","0.0014","24.254","0.002","90","","102.304","0.002","90","","4535.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 N O11 Zn2 -","- C22 H10 N O11 Zn2 -","- C88 H40 N4 O44 Zn8 -","4","1","","He, Hongming; Sun, Fuxing; Aguila, Briana; Perman, Jason A.; Ma, Shengqian; Zhu, Guangshan","A bifunctional metal‒organic framework featuring the combination of open metal sites and Lewis basic sites for selective gas adsorption and heterogeneous cascade catalysis","Journal of Materials Chemistry A","2016","4","39","15240","","10.1039/C6TA05098K","","","0.71073","MoKα","","0.0671","0.0474","","","0.1407","0.1489","","","","","","0.988","","","","has coordinates","235418","2020-10-21","18:00:00",""
"7236339","15.014","0.003","18.539","0.004","19.763","0.004","89.57","0.03","78.43","0.03","70.48","0.03","5069","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","ZnMOFazo","","","- C104 H88 N24 O20 Zn4 -","- C104 H80 N24 O20 Zn4 -","- C208 H160 N48 O40 Zn8 -","2","1","","Jeoung, Sungeun; Sahgong, Sun Hye; Kim, Jae Hyung; Hwang, Soo Min; Kim, Youngsik; Moon, Hoi Ri","Upcycling of nonporous coordination polymers: controllable-conversion toward porosity-tuned N-doped carbons and their electrocatalytic activity in seawater batteries","Journal of Materials Chemistry A","2016","4","35","13468","","10.1039/C6TA05102B","","","0.71073","MoKα","","0.0906","0.0499","","","0.1367","0.1693","","","","","","1.084","","","","has coordinates","235420","2020-10-21","18:00:00",""
"7236340","12.076","0.002","10.117","0.002","15.042","0.003","90","","111.41","0.03","90","","1710.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ZnBDCazo","","","- C19 H13 N3 O4 Zn -","- C19 H13 N3 O4 Zn -","- C76 H52 N12 O16 Zn4 -","4","1","","Jeoung, Sungeun; Sahgong, Sun Hye; Kim, Jae Hyung; Hwang, Soo Min; Kim, Youngsik; Moon, Hoi Ri","Upcycling of nonporous coordination polymers: controllable-conversion toward porosity-tuned N-doped carbons and their electrocatalytic activity in seawater batteries","Journal of Materials Chemistry A","2016","4","35","13468","","10.1039/C6TA05102B","","","0.7","synchrotron","","0.0525","0.0429","","","0.116","0.1293","","","","","","1.144","","","","has coordinates","235420","2020-10-21","18:00:00",""
"7236341","33.712","0.007","19.058","0.004","33.611","0.007","90","","90","","90","","21595","8","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C136 H180 Cu8 I4 N24 O32 -","- C88 H68 Cu8 I4 N8 O16 -","- C352 H272 Cu32 I16 N32 O64 -","4","0.25","","Yao, Shuo; Sun, Xiaodong; Liu, Bing; Krishna, Rajamani; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Two heterovalent copper‒organic frameworks with multiple secondary building units: high performance for gas adsorption and separation and I2 sorption and release","Journal of Materials Chemistry A","2016","4","39","15081","","10.1039/C6TA05142A","","","0.71073","MoKα","","0.075","0.0492","","","0.1465","0.1575","","","","","","1.034","","","","has coordinates","235423","2020-10-21","18:00:00",""
"7236342","34.9115","0.0008","41.3131","0.0009","28.971","0.0006","90","","90","","90","","41784.9","1.6","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","","JLU-32","","- C123 H185 Cu7 I4 N25 O34 -","- C63 H45 Cu7 I4 N5 O13.75 -","- C504 H360 Cu56 I32 N40 O110 -","8","1","","Yao, Shuo; Sun, Xiaodong; Liu, Bing; Krishna, Rajamani; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Two heterovalent copper‒organic frameworks with multiple secondary building units: high performance for gas adsorption and separation and I2 sorption and release","Journal of Materials Chemistry A","2016","4","39","15081","","10.1039/C6TA05142A","","","0.71073","MoKα","","0.1302","0.0499","","","0.1173","0.1332","","","","","","0.836","","","","has coordinates,has disorder","235423","2020-10-21","18:00:00",""
"7236343","11.371","0.003","16.642","0.004","19.433","0.005","89.699","0.014","85.466","0.005","78.305","0.004","3589.6","1.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","4merNH-TFSI","","","- C48 H72 F12 N4 O16 S4 Si8 -","- C48 H72 F12 N4 O16 S4 Si8 -","- C96 H144 F24 N8 O32 S8 Si16 -","2","1","","Chinnam, Parameswara Rao; Chatare, Vijay; Chereddy, Sumanth; Mantravadi, Ramya; Gau, Michael; Schwab, Joe; Wunder, Stephanie L.","Multi-ionic lithium salts increase lithium ion transference numbers in ionic liquid gel separators","Journal of Materials Chemistry A","2016","4","37","14380","","10.1039/C6TA05499D","","","0.71073","MoKα","","0.1137","0.0759","","","0.193","0.2185","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236344","11.7616","0.0005","11.7616","0.0005","11.7616","0.0005","90","","90","","90","","1627.04","0.12","298.3","0.3","298.3","0.3","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Methylammonium Thallium bismuth bromide double perovskite","","- C2 Bi Br6 N2 Tl -","- C2.0004 Bi Br6 N2.0004 Tl -","- C8.0016 Bi4 Br24 N8.0016 Tl4 -","4","0.0208333","","Deng, Zeyu; Wei, Fengxia; Sun, Shijing; Kieslich, Gregor; Cheetham, Anthony K.; Bristowe, Paul D.","Exploring the properties of lead-free hybrid double perovskites using a combined computational-experimental approach","Journal of Materials Chemistry A","2016","4","31","12025","","10.1039/C6TA05817E","","x-ray","0.71073","MoKα","","0.0546","0.0424","","","0.1059","0.1166","","","","","","1.095","","","","has coordinates,has disorder","235427","2020-10-21","18:00:00",""
"7236345","9.1422","0.0018","25.938","0.005","20.301","0.004","90","","101.89","0.03","90","","4710.7","1.7","113.15","","113.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H42 N6 O16 Zn2 -","- C41 H40 N6 O16 Zn2 -","- C164 H160 N24 O64 Zn8 -","4","0.5","","Lv, Rui; Wang, Jingyao; Zhang, Yanping; Li, Hui; Yang, Linyan; Liao, Shengyun; Gu, Wen; Liu, Xin","An amino-decorated dual-functional metal‒organic framework for highly selective sensing of Cr(iii) and Cr(vi) ions and detection of nitroaromatic explosives","Journal of Materials Chemistry A","2016","4","40","15494","","10.1039/C6TA05965A","","","0.71073","MoKα","","0.0625","0.0543","","","0.1443","0.1506","","","","","","1.077","","","","has coordinates","235429","2020-10-21","18:00:00",""
"7236347","15.178","0.0005","15.178","0.0005","12.0813","0.0005","90","","90","","90","","2783.19","0.17","129.6","0.1","129.6","0.1","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C8 H3 Ni O6 -","- C8 H3 Ni O6 -","- C64 H24 Ni8 O48 -","8","0.5","","Zhang, Xiaoping; Chen, Wenjie; Shi, Wei; Cheng, Peng","Highly selective sorption of CO2 and N2O and strong gas-framework interactions in a nickel(ii) organic material","Journal of Materials Chemistry A","2016","4","41","16198","","10.1039/C6TA06572D","","","0.7107","MoKα","","0.0732","0.0691","","","0.1735","0.1792","","","","","","1.066","","","","has coordinates","235433","2020-10-21","18:00:00",""
"7236348","34.7078","0.0006","34.7078","0.0006","18.0586","0.0003","90","","90","","90","","21754","0.6","100","2","100","2","","","","","","","synthesis as described","6","I 41/a :2","-I 4ad","88","","","","- C80 H23 Cl Ir N O2 -","- C80 H23 Cl Ir N O2 -","- C1280 H368 Cl16 Ir16 N16 O32 -","16","1","","María Girón, Rosa; Marco-Martínez, Juan; Bellani, Sebastiano; Insuasty, Alberto; Comas Rojas, Hansel; Tullii, Gabriele; Antognazza, Maria Rosa; Filippone, Salvatore; Martín, Nazario","Synthesis of modified fullerenes for oxygen reduction reactions","Journal of Materials Chemistry A","2016","4","37","14284","","10.1039/C6TA06573B","","x-ray","1.54184","CuKα","","0.0835","0.0461","","","0.1022","0.1129","","","","","","0.918","","","","has coordinates","235434","2020-10-21","18:00:00",""
"7236349","10.04","0.006","12.65","0.008","33.76","0.02","86.692","0.01","88.631","0.008","79.903","0.009","4214","4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C114 H30 N4 Zn -","- C114 H30 N4 Zn -","- C228 H60 N8 Zn2 -","2","1","","Tamura, Yuto; Kuzuhara, Daiki; Suzuki, Mitsuharu; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko","Fullerene-linked tetrabenzoporphyrins for solution-processed organic photovoltaics: flexible vs. rigid linkers","Journal of Materials Chemistry A","2016","4","40","15333","","10.1039/C6TA06599F","","","0.78203","synchrotron","","0.3872","0.199","","","0.341","0.4152","","","","","","0.885","","","","has coordinates","235436","2020-10-21","18:00:00",""
"7236350","8.6354","0.0009","13.1366","0.0013","12.4095","0.0014","90","","96.847","0.006","90","","1397.7","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(1,1-bis(2-pyridyl)ethane)copper(II)","","- C24 H24 Cu F12 N4 P2 -","- C24 H24 Cu F12 N4 P2 -","- C48 H48 Cu2 F24 N8 P4 -","2","0.5","","Cong, Jiayan; Kinschel, Dominik; Daniel, Quentin; Safdari, Majid; Gabrielsson, Erik; Chen, Hong; Svensson, Per H.; Sun, Licheng; Kloo, Lars","Bis(1,1-bis(2-pyridyl)ethane)copper(i/ii) as an efficient redox couple for liquid dye-sensitized solar cells","Journal of Materials Chemistry A","2016","4","38","14550","","10.1039/C6TA06782D","","","0.71073","MoKα","","0.069","0.0473","","","0.1349","0.1419","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236351","8.6828","0.0007","13.1764","0.001","12.4831","0.0011","90","","95.945","0.003","90","","1420.5","0.2","295.54","","295.54","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Cu F12 N4 P2 -","- C24 H24 Cu F12 N4 P2 -","- C48 H48 Cu2 F24 N8 P4 -","2","0.5","","Cong, Jiayan; Kinschel, Dominik; Daniel, Quentin; Safdari, Majid; Gabrielsson, Erik; Chen, Hong; Svensson, Per H.; Sun, Licheng; Kloo, Lars","Bis(1,1-bis(2-pyridyl)ethane)copper(i/ii) as an efficient redox couple for liquid dye-sensitized solar cells","Journal of Materials Chemistry A","2016","4","38","14550","","10.1039/C6TA06782D","","","0.71073","MoKα","","0.0772","0.0574","","","0.1634","0.1954","","","","","","1.1253","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236352","9.6706","0.001","11.7551","0.0013","12.3115","0.0013","90","","99.269","0.001","90","","1381.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 Eu N O12 -","- C6 H16 Eu N O12 -","- C24 H64 Eu4 N4 O48 -","4","1","","Wang, Xin; Qin, Tao; Bao, Song-Song; Zhang, Yu-Chi; Shen, Xuan; Zheng, Li-Min; Zhu, Dunru","Facile synthesis of a water stable 3D Eu-MOF showing high proton conductivity and its application as a sensitive luminescent sensor for Cu2+ ions","Journal of Materials Chemistry A","2016","4","42","16484","","10.1039/C6TA06792A","","","0.71073","MoKα","","0.0513","0.0313","","","0.0543","0.0584","","","","","","0.985","","","","has coordinates","235440","2020-10-21","18:00:00",""
"7236353","17.235","0.003","15.1338","0.0019","21.39","0.003","90","","109.327","0.002","90","","5264.8","1.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cd-PDA","","- C52 H22 Cd2 N5 O16 -","- C52 H22 Cd2 N5 O16 -","- C208 H88 Cd8 N20 O64 -","4","1","","Wu, Pengyan; Liu, Yanhong; Li, Yang; Jiang, Min; Li, Xiu-ling; Shi, Yanhui; Wang, Jian","A cadmium(ii)-based metal‒organic framework for selective trace detection of nitroaniline isomers and photocatalytic degradation of methylene blue in neutral aqueous solution","Journal of Materials Chemistry A","2016","4","42","16349","","10.1039/C6TA06997E","","","0.71075","MoKα","","0.047","0.0388","","","0.1111","0.1141","","","","","","1.079","","","","has coordinates","235442","2020-10-21","18:00:00",""
"7236354","5.9062","0.0007","7.7504","0.0009","42.123","0.005","87","0.002","89.311","0.002","86.21","0.002","1921.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","N,N-bis(4-(phenyldiazenyl)phenyl)docosa-10,12-diynediamide","","- C46 H52 N6 O2 -","- C46 H52 N6 O2 -","- C92 H104 N12 O4 -","2","1","","Han, Ggoch Ddeul; Park, Sarah S.; Liu, Yun; Zhitomirsky, David; Cho, Eugene; Dincă, Mircea; Grossman, Jeffrey C.","Photon energy storage materials with high energy densities based on diacetylene–azobenzene derivatives","Journal of Materials Chemistry A","2016","4","41","16157","","10.1039/C6TA07086H","","","0.71073","MoKα","","0.103","0.0738","","","0.1927","0.2094","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236368","25.164","0.007","25.164","0.007","28.417","0.01","90","","90","","120","","15584","8","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C28 H33 In N3 O10.5 S -","- C20 H10 In O8 S -","- C240 H120 In12 O96 S12 -","12","0.5","","Han, Yun-Hu; Ye, Yingxiang; Tian, Chongbin; Zhang, Zhangjing; Du, Shao-Wu; Xiang, Shengchang","High proton conductivity in an unprecedented anionic metalloring organic framework (MROF) containing novel metalloring clusters with the largest diameter","Journal of Materials Chemistry A","2016","4","48","18742","","10.1039/C6TA07939C","","","0.71073","MoKα","","0.0795","0.0632","","","0.1863","0.1998","","","","","","1.015","","","","has coordinates","235452","2020-10-21","18:00:00",""
"7236369","14.3822","0.0016","9.5669","0.0011","11.2707","0.0013","90","","90","","90","","1550.8","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","JZ 7-1","","","- C7 H8 N12 O8 -","- C7 H8 N12 O8 -","- C28 H32 N48 O32 -","4","1","","Zhang, Jiaheng; Dharavath, Srinivas; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Bridged bisnitramide-substituted furazan-based energetic materials","Journal of Materials Chemistry A","2016","4","43","16961","","10.1039/C6TA08055C","","","0.71073","MoKα","","0.0229","0.022","","","0.0566","0.0573","","","","","","1.018","","","","has coordinates","235454","2020-10-21","18:00:00",""
"7236370","9.2994","0.0008","8.8927","0.0008","9.8472","0.0009","90","","100.317","0.003","90","","801.17","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 N12 O8 -","- C10 H6 N12 O8 -","- C20 H12 N24 O16 -","2","0.5","","Zhang, Jiaheng; Dharavath, Srinivas; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Bridged bisnitramide-substituted furazan-based energetic materials","Journal of Materials Chemistry A","2016","4","43","16961","","10.1039/C6TA08055C","","","0.71073","MoKα","","0.0682","0.0391","","","0.1183","0.1521","","","","","","1.025","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7236380","10.125","0.002","8.345","0.0017","10.583","0.002","90","","106.1","0.03","90","","859.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N4 O6 -","- C6 H8 N4 O6 -","- C24 H32 N16 O24 -","4","1","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.0708","0.0492","","","0.1269","0.1433","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236381","20.437","0.004","6.241","0.0012","20.588","0.004","90","","113.82","0.03","90","","2402.3","1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N6 O10 -","- C6 H6 N6 O10 -","- C48 H48 N48 O80 -","8","2","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.181","0.0785","","","0.1403","0.1715","","","","","","1","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236382","8.415","0.0017","10.916","0.002","12.774","0.003","72.3","0.03","83.98","0.03","83.6","0.03","1107.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H6 N6 O8 -","- C5 H6 N6 O8 -","- C20 H24 N24 O32 -","4","2","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.1339","0.0667","","","0.152","0.181","","","","","","1.004","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236383","8.699","0.0017","8.789","0.0018","10.723","0.002","86.59","0.03","89.54","0.03","72.16","0.03","779","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N6 O12 -","- C8 H8 N6 O12 -","- C16 H16 N12 O24 -","2","1","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.1022","0.0635","","","0.1597","0.1889","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236384","10.821","0.002","8.82","0.0018","11.286","0.002","90","","93.44","0.03","90","","1075.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H6 N6 O8 -","- C5 H6 N6 O8 -","- C20 H24 N24 O32 -","4","2","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.1087","0.0525","","","0.0828","0.0981","","","","","","1.001","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236385","21.39","0.004","12.501","0.003","9.957","0.002","90","","95.08","0.03","90","","2652","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N6 O8 -","- C8 H10 N6 O8 -","- C64 H80 N48 O64 -","8","1","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.0921","0.0556","","","0.1492","0.1711","","","","","","1.018","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236386","11.267","0.002","10.248","0.002","11.444","0.002","90","","91.41","0.03","90","","1321","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N6 O8 -","- C8 H10 N6 O8 -","- C32 H40 N24 O32 -","4","1","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.1462","0.0692","","","0.1322","0.1569","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236387","11.531","0.002","7.53","0.0015","17.166","0.003","90","","98.46","0.03","90","","1474.3","0.5","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N4 O6 -","- C4 H6 N4 O6 -","- C32 H48 N32 O48 -","8","2","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.0758","0.057","","","0.1528","0.1644","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236388","25.4756","0.0019","16.5543","0.0011","19.534","0.0013","90","","107.428","0.008","90","","7859.9","1","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H72 N4 O9 S2 -","- C92.796 H73.204 N5 O10 S2 -","- C371.184 H292.816 N20 O40 S8 -","4","1","","Rakstys, Kasparas; Paek, Sanghyun; Sohail, Muhammad; Gao, Peng; Cho, Kyung Taek; Gratia, Paul; Lee, Yonghui; Dahmen, Klaus H.; Nazeeruddin, Mohammad Khaja","A highly hindered bithiophene-functionalized dispiro-oxepine derivative as an efficient hole transporting material for perovskite solar cells","Journal of Materials Chemistry A","2016","4","47","18259","","10.1039/C6TA09028A","","","1.54178","CuKα","","0.143","0.0891","","","0.2314","0.2758","","","","","","1.024","","","","has coordinates,has disorder","235466","2020-10-21","18:00:00",""
"7236420","53.673","0.005","6.5539","0.0006","14.3225","0.0014","90","","103.843","0.001","90","","4891.9","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 N2 O -","- C33 H24 N2 O -","- C264 H192 N16 O8 -","8","1","","Ge, Xinping; Gan, Xiaoping; Yao, Shun; Wang, Kang; Zhu, Weiju; Yu, Jianhua; Wu, Jieying; Tian, Yupeng; Zhou, Hongping","Rationally designed two-photon absorption compounds based on benzoxazole derivatives: structure–property relationships and bio-imaging applications","Journal of Materials Chemistry B","2016","4","16","2785","","10.1039/C6TB00201C","","","0.71073","MoKα","","0.077","0.0436","","","0.1183","0.1484","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236421","7.589","0.002","9.368","0.003","28.167","0.008","90","","90","","90","","2002.5","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O -","- C25 H24 N2 O -","- C100 H96 N8 O4 -","4","1","","Ge, Xinping; Gan, Xiaoping; Yao, Shun; Wang, Kang; Zhu, Weiju; Yu, Jianhua; Wu, Jieying; Tian, Yupeng; Zhou, Hongping","Rationally designed two-photon absorption compounds based on benzoxazole derivatives: structure–property relationships and bio-imaging applications","Journal of Materials Chemistry B","2016","4","16","2785","","10.1039/C6TB00201C","","","0.71073","MoKα","","0.1291","0.0829","","","0.2126","0.2426","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236422","5.0966","0.0011","12.219","0.003","20.093","0.004","96.803","0.003","96.243","0.003","97.956","0.003","1220.5","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 N O5 -","- C30 H29 N O5 -","- C60 H58 N2 O10 -","2","1","","Ge, Xinping; Gan, Xiaoping; Yao, Shun; Wang, Kang; Zhu, Weiju; Yu, Jianhua; Wu, Jieying; Tian, Yupeng; Zhou, Hongping","Rationally designed two-photon absorption compounds based on benzoxazole derivatives: structure–property relationships and bio-imaging applications","Journal of Materials Chemistry B","2016","4","16","2785","","10.1039/C6TB00201C","","","0.71073","MoKα","","0.1781","0.0838","","","0.2072","0.263","","","","","","1.199","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7236423","22.153","0.003","9.6897","0.0014","17.251","0.003","90","","95.937","0.002","90","","3683.2","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H16.5 N1.5 O -","- C24 H16.5 N1.5 O -","- C192 H132 N12 O8 -","8","1","","Ge, Xinping; Gan, Xiaoping; Yao, Shun; Wang, Kang; Zhu, Weiju; Yu, Jianhua; Wu, Jieying; Tian, Yupeng; Zhou, Hongping","Rationally designed two-photon absorption compounds based on benzoxazole derivatives: structure–property relationships and bio-imaging applications","Journal of Materials Chemistry B","2016","4","16","2785","","10.1039/C6TB00201C","","","0.71073","MoKα","","0.0571","0.0454","","","0.133","0.1446","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236424","12.507","0.005","16.431","0.005","13.315","0.005","90","0.005","108.61","0.005","90","0.005","2593.2","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N5 O S -","- C31 H29 N5 O S -","- C124 H116 N20 O4 S4 -","4","1","","Wang, Hui; Tian, Xiaohe; Guan, Lijuan; Zhang, Qiong; Zhang, Shengyi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Targeting mitochondrial DNA with a two-photon active Ru(ii) phenanthroline derivative","Journal of Materials Chemistry B","2016","4","17","2895","","10.1039/C6TB00433D","","","0.71069","MoKα","","0.0761","0.0525","","","0.1447","0.1684","","","","","","0.965","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236425","12.5395","0.0012","24.454","0.002","25.013","0.002","90","","93.069","0.002","90","","7659","1.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","POM-pyrene 1","","- C74 H108 N4 O19 V6 -","- C74 H108 N4 O19 V6 -","- C296 H432 N16 O76 V24 -","4","0.5","","Ju, Wen; Song, Xiuling; Yan, Gang; Xu, Kun; Wang, Juan; Yin, Dehui; Li, Li; Qu, Xiaofeng; Li, Yangguang; Li, Juan","Layer-by-layer assembly of polyoxometalate‒pyrene-decorated fluorescent microspheres for the suspension immunoassay of Listeria monocytogenes","Journal of Materials Chemistry B","2016","4","24","4287","","10.1039/C6TB00986G","","","0.71073","MoKα","","0.1293","0.0682","","","0.1654","0.2023","","","","","","1.001","","","","has coordinates,has disorder","235499","2020-10-21","18:00:00",""
"7236426","8.7921","0.0009","19.2348","0.0019","20.091","0.002","90","","98.119","0.002","90","","3363.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 Cl2 N5 O -","- C38 H33 Cl2 N5 O -","- C152 H132 Cl8 N20 O4 -","4","1","","Wang, Xiaohang; Guo, Zhiqian; Zhu, Shiqin; Liu, Yajing; Shi, Ping; Tian, He; Zhu, Wei-Hong","Rational design of novel near-infrared fluorescent DCM derivatives and their application in bioimaging","Journal of Materials Chemistry B","2016","4","27","4683","","10.1039/C6TB01096B","","","0.71073","MoKα","","0.1532","0.0663","","","0.1648","0.2018","","","","","","1.011","","","","has coordinates,has disorder","235501","2020-10-21","18:00:00",""
"7236427","8.8941","0.0017","10.241","0.002","15.811","0.003","79.53","0.002","86.87","0.002","70.65","0.002","1336.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H25 N5 O -","- C34 H25 N5 O -","- C68 H50 N10 O2 -","2","1","","Wang, Hui; Tian, Xiaohe; Du, Wei; Zhang, Qiong; Guan, Lijuan; Wang, Aidong; Zhang, Yujin; Wang, Chuankui; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A two-photon fluorescent RNA probe screened from a series of oxime-functionalized 2,2′:6′,2′′-terpyridine ZnX2(X = Cl, Br, I) complexes","Journal of Materials Chemistry B","2016","4","28","4818","","10.1039/C6TB01202G","","","0.71073","MoKα","","0.1197","0.0789","","","0.2216","0.2498","","","","","","1.093","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236428","11.057","0.005","14.625","0.005","21.079","0.005","90","0.005","91.805","0.005","90","0.005","3407","2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 Br2 Cl2 N5 O Zn -","- C35 H27 Br2 Cl2 N5 O Zn -","- C140 H108 Br8 Cl8 N20 O4 Zn4 -","4","1","","Wang, Hui; Tian, Xiaohe; Du, Wei; Zhang, Qiong; Guan, Lijuan; Wang, Aidong; Zhang, Yujin; Wang, Chuankui; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A two-photon fluorescent RNA probe screened from a series of oxime-functionalized 2,2′:6′,2′′-terpyridine ZnX2(X = Cl, Br, I) complexes","Journal of Materials Chemistry B","2016","4","28","4818","","10.1039/C6TB01202G","","","0.71069","MoKα","","0.0936","0.0705","","","0.2269","0.2453","","","","","","1.09","","","","has coordinates,has disorder","235503","2020-10-21","18:00:00",""
"7236429","11.124","0.005","14.265","0.005","20.97","0.005","90","0.005","92.901","0.005","90","0.005","3323","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H25 Cl2 N6 O Zn -","- C36 H28 Cl2 N6 O Zn -","- C144 H112 Cl8 N24 O4 Zn4 -","4","1","","Wang, Hui; Tian, Xiaohe; Du, Wei; Zhang, Qiong; Guan, Lijuan; Wang, Aidong; Zhang, Yujin; Wang, Chuankui; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A two-photon fluorescent RNA probe screened from a series of oxime-functionalized 2,2′:6′,2′′-terpyridine ZnX2(X = Cl, Br, I) complexes","Journal of Materials Chemistry B","2016","4","28","4818","","10.1039/C6TB01202G","","","0.71069","MoKα","","0.078","0.0491","","","0.1409","0.1632","","","","","","0.984","","","","has coordinates","235503","2020-10-21","18:00:00",""
"7236430","11.166","0.004","14.692","0.005","21.336","0.008","90","","91.616","0.005","90","","3499","2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C138 H96 Cl4 I8 N22 O4 Zn4 -","- C138.064 H96 Cl4 I8 N22.16 O4 Zn4 -","- C138.064 H96 Cl4 I8 N22.16 O4 Zn4 -","1","0.25","","Wang, Hui; Tian, Xiaohe; Du, Wei; Zhang, Qiong; Guan, Lijuan; Wang, Aidong; Zhang, Yujin; Wang, Chuankui; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A two-photon fluorescent RNA probe screened from a series of oxime-functionalized 2,2′:6′,2′′-terpyridine ZnX2(X = Cl, Br, I) complexes","Journal of Materials Chemistry B","2016","4","28","4818","","10.1039/C6TB01202G","","","0.71073","MoKα","","0.1968","0.0962","","","0.2745","0.3171","","","","","","1","","","","has coordinates,has disorder","235503","2020-10-21","18:00:00",""
"7236431","11.759","0.005","12.636","0.005","13.141","0.005","100.106","0.005","103.238","0.005","114.716","0.005","1643.4","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H27 Br2 N5 O Zn -","- C36 H27 Br2 N5 O Zn -","- C72 H54 Br4 N10 O2 Zn2 -","2","1","","Wang, Hui; Tian, Xiaohe; Du, Wei; Zhang, Qiong; Guan, Lijuan; Wang, Aidong; Zhang, Yujin; Wang, Chuankui; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A two-photon fluorescent RNA probe screened from a series of oxime-functionalized 2,2′:6′,2′′-terpyridine ZnX2(X = Cl, Br, I) complexes","Journal of Materials Chemistry B","2016","4","28","4818","","10.1039/C6TB01202G","","","0.71069","MoKα","","0.0879","0.049","","","0.1348","0.1609","","","","","","0.963","","","","has coordinates","235503","2020-10-21","18:00:00",""
"7236432","14.796","0.005","14.776","0.005","16.532","0.005","90","0.005","114.555","0.005","90","0.005","3287.5","1.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Cl2 N5 O Zn -","- C36 H30 Cl2 N4 O2 Zn -","- C144 H120 Cl8 N16 O8 Zn4 -","4","1","","Wang, Hui; Tian, Xiaohe; Du, Wei; Zhang, Qiong; Guan, Lijuan; Wang, Aidong; Zhang, Yujin; Wang, Chuankui; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A two-photon fluorescent RNA probe screened from a series of oxime-functionalized 2,2′:6′,2′′-terpyridine ZnX2(X = Cl, Br, I) complexes","Journal of Materials Chemistry B","2016","4","28","4818","","10.1039/C6TB01202G","","","0.71069","MoKα","","0.0729","0.0642","","","0.2056","0.2179","","","","","","1.011","","","","has coordinates","235503","2020-10-21","18:00:00",""
"7236433","10.82","0.006","11.364","0.007","12.581","0.007","90.262","0.007","91.648","0.007","112.836","0.007","1424.9","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 F6 N2 O4 P -","- C27 H33 F6 N2 O4 P -","- C54 H66 F12 N4 O8 P2 -","2","1","","Zhao, Meng; Zhu, Yingzhong; Su, Jian; Geng, Qian; Tian, Xiaohe; Zhang, Jun; Zhou, Hongping; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng","A water-soluble two-photon fluorescence chemosensor for ratiometric imaging of mitochondrial viscosity in living cells","Journal of Materials Chemistry B","2016","4","35","5907","","10.1039/C6TB01240J","","","0.71073","MoKα","","0.1751","0.0829","","","0.2277","0.2624","","","","","","1.105","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7236434","9.8545","0.0004","10.7534","0.0005","17.1587","0.0008","88.737","0.004","75.181","0.004","63.066","0.005","1557.83","0.15","173","0.3","173","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C40 H33 N O3 -","- C40 H33 N O3 -","- C80 H66 N2 O6 -","2","1","","Lou, Xiaoding; Zhang, Mengshi; Zhao, Zujin; Min, Xuehong; Hakeem, Abdul; Huang, Fujian; Gao, Pengcheng; Xia, Fan; Tang, Ben Zhong","A photostable AIE fluorogen for lysosome-targetable imaging of living cells","Journal of Materials Chemistry B","2016","4","32","5412","","10.1039/C6TB01293K","","x-ray","1.5418","CuKα","","0.0402","0.0372","","","0.1016","0.1046","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236435","10.2888","0.0005","16.2882","0.001","13.248","0.0006","90","","91.491","0.005","90","","2219.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C108 H96 N8 O12 -","4","1","","Meher, Niranjan; Chowdhury, Sayan Roy; Iyer, Parameswar Krishnan","Aggregation induced emission enhancement and growth of naphthalimide nanoribbons via J-aggregation: insight into disaggregation induced unfolding and detection of ferritin at the nanomolar level","Journal of Materials Chemistry B","2016","4","36","6023","","10.1039/C6TB01746K","","","0.71073","MoKα","","0.1447","0.0799","","","0.2671","0.3323","","","","","","1.062","","","","has coordinates","235509","2020-10-21","18:00:00",""
"7236436","8.2646","0.0005","14.0049","0.0009","19.183","0.0012","90","","98.03","0.006","90","","2198.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C112 H100 N4 O12 -","4","1","","Meher, Niranjan; Chowdhury, Sayan Roy; Iyer, Parameswar Krishnan","Aggregation induced emission enhancement and growth of naphthalimide nanoribbons via J-aggregation: insight into disaggregation induced unfolding and detection of ferritin at the nanomolar level","Journal of Materials Chemistry B","2016","4","36","6023","","10.1039/C6TB01746K","","","0.71073","MoKα","","0.0999","0.0635","","","0.2338","0.2911","","","","","","0.962","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236443","18.1453","0.0019","11.7409","0.0012","18.0797","0.0019","90","","106.363","0.002","90","","3695.7","0.7","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C53 H35 N3 -","- C53 H35 N3 -","- C212 H140 N12 -","4","1","","Li, Chenglong; Wei, Jinbei; Song, Xiaoxian; Ye, Kaiqi; Zhang, Hongyu; Zhang, Jingying; Wang, Yue","Non-doped luminescent material based organic light-emitting devices displaying high brightness under very low driving voltage","Journal of Materials Chemistry C","2016","4","29","7013","","10.1039/C6TC01975G","","","0.71073","MoKα","","0.0699","0.0456","","","0.0961","0.1081","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236444","18.418","0.002","13.6974","0.0015","17.2557","0.0019","90","","106.726","0.002","90","","4169.1","0.8","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C57 H43 N3 -","- C57 H43 N3 -","- C228 H172 N12 -","4","1","","Li, Chenglong; Wei, Jinbei; Song, Xiaoxian; Ye, Kaiqi; Zhang, Hongyu; Zhang, Jingying; Wang, Yue","Non-doped luminescent material based organic light-emitting devices displaying high brightness under very low driving voltage","Journal of Materials Chemistry C","2016","4","29","7013","","10.1039/C6TC01975G","","","0.71073","MoKα","","0.0896","0.0558","","","0.1109","0.1255","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7238059","5.4864","0.001","17.096","0.003","18.238","0.003","90","","94.053","0.004","90","","1706.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 O3 S -","- C22 H14 O3 S -","- C88 H56 O12 S4 -","4","1","","Alagöz, Oğuzhan; Yılmaz, Mehmet; Pekel, A. Tarık; Graiff, Claudia; Maggi, Raimondo","Synthesis of dihydrofuro- and C-alkenylated naphthoquinones catalyzed by manganese(III) acetate","RSC Adv.","2014","4","28","14644","","10.1039/C3RA48015A","","","0.71073","MoKα","","0.088","0.0422","","","0.1076","0.1226","","","","","","0.998","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7239066","7.217","0.002","8.617","0.003","16.124","0.005","87.616","0.004","87.8","0.005","72.222","0.004","953.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 N6 Ni S4 -","- C34 H42 N6 Ni S4 -","- C34 H42 N6 Ni S4 -","1","0.5","","Chen, Yao; Zhao, Shun-Ping; Liu, Jian-Lan; Ning, Wei-Hua; Sun, Xiao-Mei; Ren, Xiao-Ming","A bis(maleonitriledithiolato)nickelate charge-transfer salt with mixed stacks exhibiting novel non-ferroelectric-type dielectric phase transition and bistability","RSC Advances","2014","4","18","9178","","10.1039/c3ra41607k","","","0.71073","MoKα","","0.1759","0.0568","","","0.1367","0.1886","","","","","","0.883","","","","has coordinates","244532","2020-10-21","18:00:00",""
"7239067","12.0412","0.0008","23.6221","0.0017","25.381","0.002","90","","90","","90","","7219.3","0.9","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C24 H16 Ag In N4 O8 -","- C24 H16 Ag In N4 O8 -","- C192 H128 Ag8 In8 N32 O64 -","8","0.25","","Tan, Yan-Xi; He, Yan-Ping; Wang, Min; Zhang, Jian","A water-stable zeolite-like metal‒organic framework for selective separation of organic dyes","RSC Adv.","2014","4","3","1480","","10.1039/C3RA41627E","","","0.71073","MoKα","","0.0784","0.0614","","","0.2028","0.2261","","","","","","1.084","","","","has coordinates","244533","2020-10-21","18:00:00",""
"7239068","12.4623","0.0007","22.5494","0.0009","24.692","0.002","90","","90","","90","","6938.9","0.7","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C24 H16 Cu In N4 O8 -","- C24 H16 Cu In N4 O8 -","- C192 H128 Cu8 In8 N32 O64 -","8","0.25","","Tan, Yan-Xi; He, Yan-Ping; Wang, Min; Zhang, Jian","A water-stable zeolite-like metal‒organic framework for selective separation of organic dyes","RSC Adv.","2014","4","3","1480","","10.1039/C3RA41627E","","","0.71073","MoKα","","0.0667","0.0539","","","0.1978","0.2098","","","","","","1.288","","","","has coordinates","244533","2020-10-21","18:00:00",""
"7239152","8.882","0.005","13.892","0.005","10.387","0.005","90","0.005","107.392","0.005","90","0.005","1223","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2'-((1E,1'E)-2,2'-(2,5-Dibutoxy-1,4-phenylene)bis(ethene- 2,1-diyl))dipyridine","2,2'-[(1<i>E</i>,1'<i>E</i>)-2,2'-(2,5-Dibutoxy-1,4-phenylene)bis(ethene- 2,1-diyl)]dipyridine","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C56 H64 N4 O4 -","2","0.5","","Liu, Zhaodi; Zhang, Ruilong; Zhang, Qiong; Ding, Hongjuan; Wang, Chuankui; Li, Shengli; Zhou, Hongping; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng","Crystal structures, photophysical properties and significantly different two-photon excited fluorescence of the trans- and cis-oligo(phenylene vinylene)","RSC Adv.","2014","4","6","2620","","10.1039/C3RA43126F","","","0.71069","MoKα","","0.0817","0.0488","","","0.1317","0.1539","","","","","","1.032","","","","has coordinates","244575","2020-10-21","18:00:00",""
"7239153","9.0577","0.0016","8.8169","0.0015","16.292","0.003","90","","113.972","0.008","90","","1188.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C56 H64 N4 O4 -","2","0.5","","Liu, Zhaodi; Zhang, Ruilong; Zhang, Qiong; Ding, Hongjuan; Wang, Chuankui; Li, Shengli; Zhou, Hongping; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng","Crystal structures, photophysical properties and significantly different two-photon excited fluorescence of the trans- and cis-oligo(phenylene vinylene)","RSC Adv.","2014","4","6","2620","","10.1039/C3RA43126F","","","0.71073","MoKα","","0.0624","0.0443","","","0.1087","0.1217","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239154","9.293","0.0015","14.162","0.002","10.4495","0.0018","90","","104.566","0.002","90","","1331","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H36 N2 O2 -","- C30 H36 N2 O2 -","- C60 H72 N4 O4 -","2","1","","Liu, Zhaodi; Zhang, Ruilong; Zhang, Qiong; Ding, Hongjuan; Wang, Chuankui; Li, Shengli; Zhou, Hongping; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng","Crystal structures, photophysical properties and significantly different two-photon excited fluorescence of the trans- and cis-oligo(phenylene vinylene)","RSC Adv.","2014","4","6","2620","","10.1039/C3RA43126F","","","0.71073","MoKα","","0.0718","0.0665","","","0.195","0.2037","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239155","9.735","0.007","13.866","0.01","10.782","0.008","90","","113.771","0.009","90","","1331.9","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N2 O2 -","- C30 H36 N2 O2 -","- C60 H72 N4 O4 -","2","0.5","","Liu, Zhaodi; Zhang, Ruilong; Zhang, Qiong; Ding, Hongjuan; Wang, Chuankui; Li, Shengli; Zhou, Hongping; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng","Crystal structures, photophysical properties and significantly different two-photon excited fluorescence of the trans- and cis-oligo(phenylene vinylene)","RSC Adv.","2014","4","6","2620","","10.1039/C3RA43126F","","","0.71073","MoKα","","0.1279","0.1059","","","0.3294","0.3449","","","","","","1.099","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239219","5.511","0.0005","6.6322","0.0006","14.0532","0.0015","83.397","0.008","81.177","0.008","72.154","0.008","481.88","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N6 O2 -","- C24 H18 N6 O2 -","- C24 H18 N6 O2 -","1","0.5","","Yadav, Promod Kumar; Singh, Alok Kumar; Kumar, Anup; Kumari, Niraj; Gulino, Antonino; Mishra, Lallan; Gupta, Tarkeshwar","Azobenzamide-based proteomorphous objects as a light/pH-induced photoswitchable module","RSC Advances","2014","4","14","7174","","10.1039/c3ra43576h","","","0.71073","MoKα","","0.1231","0.0966","","","0.2863","0.296","","","","","","1.234","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239220","4.8327","0.0012","14.85","0.003","17.252","0.003","90","","101.434","0.018","90","","1213.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N4 O4 -","- C28 H24 N4 O4 -","- C56 H48 N8 O8 -","2","0.5","","Yadav, Promod Kumar; Singh, Alok Kumar; Kumar, Anup; Kumari, Niraj; Gulino, Antonino; Mishra, Lallan; Gupta, Tarkeshwar","Azobenzamide-based proteomorphous objects as a light/pH-induced photoswitchable module","RSC Advances","2014","4","14","7174","","10.1039/c3ra43576h","","","0.71073","MoKα","","0.3002","0.1874","","","0.4552","0.509","","","","","","1.331","","","","has coordinates","244603","2020-10-21","18:00:00",""
"7239240","15.261","0.0003","18.519","0.0004","16.233","0.0003","90","","90","","90","","4587.75","0.16","100","0.5","100","0.5","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C50 H43 N3 O8 P2 Ru -","- C50 H43 N3 O8 P2 Ru -","- C200 H172 N12 O32 P8 Ru4 -","4","0.5","","Kamatchi, Thangavel Sathiya; Kalaivani, Palaniappan; Poornima, Paramasivan; Padma, Viswanadha Vijaya; Fronczek, Frank R.; Natarajan, Karuppannan","New organometallic ruthenium(ii) complexes containing chelidonic acid (4-oxo-4H-pyran-2,6-dicarboxylic acid): synthesis, structure and in vitro biological activity","RSC Adv.","2014","4","4","2004","","10.1039/C3RA43865A","","","0.71073","MoKα","","0.0323","0.0292","","","0.0692","0.0712","","","","","","1.024","","","","has coordinates","244614","2020-10-21","18:00:00",""
"7239241","11.0885","0.0012","29.01","0.003","9.9651","0.001","90","","102.424","0.003","90","","3130.5","0.6","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H40 N2 O2 -","- C37 H40 N2 O2 -","- C148 H160 N8 O8 -","4","1","","Edkins, Robert M.; Probert, Michael R.; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","Photocrystallisation of the 2C–2′C dimer of a triphenylimidazolyl radical","RSC Adv.","2014","4","11","5351","","10.1039/C3RA43892A","","x-ray","0.71073","MoKα","","0.0783","0.0523","","","0.1226","0.1339","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239242","10.503","0.004","14.511","0.006","19.926","0.008","86.646","0.006","82.585","0.006","70.912","0.005","2845","2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C66 H54 N4 -","- C66 H54 N4 -","- C132 H108 N8 -","2","1","","Edkins, Robert M.; Probert, Michael R.; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","Photocrystallisation of the 2C–2′C dimer of a triphenylimidazolyl radical","RSC Adv.","2014","4","11","5351","","10.1039/C3RA43892A","","x-ray","0.6889","","","0.1669","0.0905","","","0.2219","0.2519","","","","","","0.898","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239243","10.017","0.003","11.112","0.003","11.721","0.003","69.889","0.003","87.557","0.003","83.195","0.003","1216.5","0.6","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C66 H54 N4 -","- C66 H54 N4 -","- C66 H54 N4 -","1","0.5","","Edkins, Robert M.; Probert, Michael R.; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","Photocrystallisation of the 2C–2′C dimer of a triphenylimidazolyl radical","RSC Adv.","2014","4","11","5351","","10.1039/C3RA43892A","","x-ray","0.6889","","","0.0727","0.0576","","","0.1615","0.1725","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239257","4.8665","0.0008","16.429","0.003","25.787","0.004","90","","90","","90","","2061.7","0.6","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 Br2 N2 O2 -","- C18 H32 Br2 N2 O2 -","- C72 H128 Br8 N8 O8 -","4","1","","Sato, Hisako; Nogami, Emiko; Yajima, Tomoko; Yamagishi, Akihiko","Terminal effects on gelation by low molecular weight chiral gelators","RSC Adv.","2014","4","4","1659","","10.1039/C3RA44070B","","","0.71073","MoKα","","0.0329","0.0266","","","0.0467","0.048","","","","","","1.019","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239258","4.8466","0.0007","17.841","0.003","28.081","0.004","90","","90","","90","","2428.1","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H40 Br2 N2 O2 -","- C22 H40 Br2 N2 O2 -","- C88 H160 Br8 N8 O8 -","4","1","","Sato, Hisako; Nogami, Emiko; Yajima, Tomoko; Yamagishi, Akihiko","Terminal effects on gelation by low molecular weight chiral gelators","RSC Adv.","2014","4","4","1659","","10.1039/C3RA44070B","","","0.71073","MoKα","","0.055","0.0402","","","0.0786","0.0826","","","","","","1.015","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239261","6.4368","0.0004","14.3488","0.0009","20.3824","0.0013","90","","90","","90","","1882.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 S2 -","- C18 H21 N O3 S2 -","- C72 H84 N4 O12 S8 -","4","1","","Li, Ya; Huang, Haiji; Wang, Zhen; Yang, Fan; Li, Desheng; Qin, Bo; Ren, Xinfeng","Stereoselective synthesis of C-sulfonylated aziridines from halomethyl phenyl sulfone and N-tert-butanesulfinyl imines","RSC Adv.","2014","4","2","969","","10.1039/C3RA44174A","","","0.71073","MoKα","","0.039","0.0369","","","0.0978","0.0992","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239262","9.8142","0.0009","10.5612","0.001","17.6233","0.0017","90","","90","","90","","1826.7","0.3","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 S2 -","- C18 H21 N O3 S2 -","- C72 H84 N4 O12 S8 -","4","1","","Li, Ya; Huang, Haiji; Wang, Zhen; Yang, Fan; Li, Desheng; Qin, Bo; Ren, Xinfeng","Stereoselective synthesis of C-sulfonylated aziridines from halomethyl phenyl sulfone and N-tert-butanesulfinyl imines","RSC Adv.","2014","4","2","969","","10.1039/C3RA44174A","","","0.71073","MoKα","","0.0297","0.0264","","","0.0754","0.0778","","","","","","1.09","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239265","11.1078","0.0018","20.351","0.003","12.354","0.002","90","","110.522","0.004","90","","2615.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Br N3 O3 S -","- C28 H28 Br N3 O3 S -","- C112 H112 Br4 N12 O12 S4 -","4","1","","Zi, You; Chu, Xue-Qiang; Lu, Xin-Mou; Wang, Shun-Yi; Ji, Shun-Jun","In(OTf)3-catalyzed chemoselective alkylation of tryptamines with 2-oxo-1-pyrrolidine derivatives","RSC Adv.","2014","4","9","4609","","10.1039/C3RA44196B","","","0.7107","MoKα","","0.1546","0.0911","","","0.1685","0.1954","","","","","","1.104","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239266","26.062","0.008","15.828","0.005","14.693","0.005","90","","120.379","0.007","90","","5229","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 N3 O3 S -","- C29 H30 N3 O3 S -","- C232 H240 N24 O24 S8 -","8","1","","Zi, You; Chu, Xue-Qiang; Lu, Xin-Mou; Wang, Shun-Yi; Ji, Shun-Jun","In(OTf)3-catalyzed chemoselective alkylation of tryptamines with 2-oxo-1-pyrrolidine derivatives","RSC Adv.","2014","4","9","4609","","10.1039/C3RA44196B","","","0.7107","MoKα","","0.1594","0.0871","","","0.2303","0.2966","","","","","","1.075","","","","has coordinates,has disorder","244625","2020-10-21","18:00:00",""
"7239267","7.5846","0.0015","18.384","0.003","14.401","0.003","90","","102.535","0.008","90","","1960.1","0.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Kemp-benzidine","","","- C20 H26 N O5 S -","- C20 H26 N O5 S -","- C80 H104 N4 O20 S4 -","4","1","","Naini, Santhosh Reddy; Ranganathan, Subramania; Yadav, Jhillu Singh; Ramakrishna, K. V. S.; Gayatri, G.; Sastry, G. Narahari; Roy, K. Basu; Shamala, N.","The exploration of Kemp's triacid (KTA) as the core for the synthesis of 3-fold symmetric 23-cyclophane, 22-cyclophane and novel linker directed designs","RSC Advances","2014","4","11","5322","","10.1039/c3ra44327b","","","0.71073","MoKα","","0.0699","0.0534","","","0.1481","0.1643","","","","","","0.961","","","","has coordinates,has disorder","301866","2025-08-22","21:38:36",""
"7239268","12.436","0.005","12.863","0.005","13.394","0.005","94.291","0.005","94.205","0.005","104.931","0.005","2054.9","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H37.5 N4.5 O P2 Ru S2 -","- C42 H36 N4.5 O P2 Ru S2 -","- C84 H72 N9 O2 P4 Ru2 S4 -","2","1","","Paul, Piyali; Seth, Dipravath Kumar; Richmond, Michael G.; Bhattacharya, Samaresh","Unusual chemical transformations of acetone thiosemicarbazone mediated by ruthenium: C‒H bond activation, thiolation, and C‒N bond cleavage","RSC Adv.","2014","4","3","1432","","10.1039/C3RA44329A","","","0.71073","MoKα","","0.1089","0.0611","","","0.1669","0.1947","","","","","","1.047","","","","has coordinates","244627","2020-10-21","18:00:00",""
"7239269","12.509","0.005","12.844","0.005","13.672","0.005","95.721","0.005","96.275","0.005","104.012","0.005","2100.3","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H37.5 N4.5 P2 Ru S3 -","- C42 H32 N4.5 P2 Ru S3 -","- C84 H64 N9 P4 Ru2 S6 -","2","1","","Paul, Piyali; Seth, Dipravath Kumar; Richmond, Michael G.; Bhattacharya, Samaresh","Unusual chemical transformations of acetone thiosemicarbazone mediated by ruthenium: C‒H bond activation, thiolation, and C‒N bond cleavage","RSC Adv.","2014","4","3","1432","","10.1039/C3RA44329A","","","0.71073","MoKα","","0.1145","0.063","","","0.1704","0.1944","","","","","","1.195","","","","has coordinates","244627","2020-10-21","18:00:00",""
"7239274","8.961","0.0008","11.921","0.001","16.316","0.0017","83.883","0.008","81.522","0.008","87.348","0.007","1713.3","0.3","130","2","130","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C29 H29 F6 N5 O11 S2 -","- C29 H29 F6 N5 O11 S2 -","- C58 H58 F12 N10 O22 S4 -","2","1","","Dorazco-González, Alejandro; Alamo, Marcos Flores; Godoy-Alcántar, Carolina; Höpfl, Herbert; Yatsimirsky, Anatoly K.","Fluorescent anion sensing by bisquinolinium pyridine-2,6-dicarboxamide receptors in water","RSC Adv.","2014","4","1","455","","10.1039/C3RA44363A","","x-ray","1.5418","CuKα","","0.077","0.0539","","","0.1223","0.1344","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239275","17.214","0.0005","13.4","0.0003","14.399","0.0004","90","","103.862","0.003","90","","3224.65","0.15","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 F6 N5 O9 S2 -","- C29 H25 F6 N5 O9 S2 -","- C116 H100 F24 N20 O36 S8 -","4","1","","Dorazco-González, Alejandro; Alamo, Marcos Flores; Godoy-Alcántar, Carolina; Höpfl, Herbert; Yatsimirsky, Anatoly K.","Fluorescent anion sensing by bisquinolinium pyridine-2,6-dicarboxamide receptors in water","RSC Adv.","2014","4","1","455","","10.1039/C3RA44363A","","x-ray","1.5418","CuKα","","0.0735","0.0563","","","0.1582","0.172","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239276","8.454","0.0003","15.135","0.0005","14.548","0.0005","90","","104.356","0.003","90","","1803.31","0.11","298","2","298","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F3 N2 O4 S -","- C18 H15 F3 N2 O4 S -","- C72 H60 F12 N8 O16 S4 -","4","1","","Dorazco-González, Alejandro; Alamo, Marcos Flores; Godoy-Alcántar, Carolina; Höpfl, Herbert; Yatsimirsky, Anatoly K.","Fluorescent anion sensing by bisquinolinium pyridine-2,6-dicarboxamide receptors in water","RSC Adv.","2014","4","1","455","","10.1039/C3RA44363A","","x-ray","1.5418","CuKα","","0.0568","0.0493","","","0.1416","0.1501","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239277","8.2858","0.0012","8.3312","0.0012","11.568","0.0017","86.458","0.002","77.472","0.002","81.506","0.002","770.62","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 I N2 O -","- C17 H15 I N2 O -","- C34 H30 I2 N4 O2 -","2","1","","Dorazco-González, Alejandro; Alamo, Marcos Flores; Godoy-Alcántar, Carolina; Höpfl, Herbert; Yatsimirsky, Anatoly K.","Fluorescent anion sensing by bisquinolinium pyridine-2,6-dicarboxamide receptors in water","RSC Adv.","2014","4","1","455","","10.1039/C3RA44363A","","","0.71073","MoKα","","0.0361","0.0303","","","0.0701","0.0722","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239278","9.3966","0.0018","15.386","0.003","12.114","0.002","90","","91.451","0.003","90","","1750.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 F3 N2 O4 S -","- C18 H15 F3 N2 O4 S -","- C72 H60 F12 N8 O16 S4 -","4","1","","Dorazco-González, Alejandro; Alamo, Marcos Flores; Godoy-Alcántar, Carolina; Höpfl, Herbert; Yatsimirsky, Anatoly K.","Fluorescent anion sensing by bisquinolinium pyridine-2,6-dicarboxamide receptors in water","RSC Adv.","2014","4","1","455","","10.1039/C3RA44363A","","","0.71073","MoKα","","0.0712","0.0636","","","0.1479","0.1526","","","","","","1.191","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239283","12.121","0.002","17.543","0.004","6.9785","0.0014","90","","90","","90","","1483.9","0.5","223","2","223","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C14 H14 Cd N4 O4 -","- C14 H14 Cd N4 O4 -","- C56 H56 Cd4 N16 O16 -","4","0.5","","Chen, Yanmei; Gao, Qian; Liu, Yonglu; Cao, Yanyuan; Gao, Dandan; Liu, Jinna; Zhao, Jingjing; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, crystal structures and luminescent properties of CdIIand ZnIIcomplexes assembled by 4-aminophenylhydroxamic acid","RSC Adv.","2014","4","1","147","","10.1039/C3RA44489A","","","0.71073","MoKα","","0.0233","0.019","","","0.0455","0.0488","","","","","","1.034","","","","has coordinates","244635","2020-10-21","18:00:00",""
"7239284","10.5931","0.0006","7.6567","0.0004","19.8339","0.0011","90","","93.262","0.001","90","","1606.09","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 N8 O12 Zn2 -","- C28 H36 N8 O12 Zn2 -","- C56 H72 N16 O24 Zn4 -","2","0.5","","Chen, Yanmei; Gao, Qian; Liu, Yonglu; Cao, Yanyuan; Gao, Dandan; Liu, Jinna; Zhao, Jingjing; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, crystal structures and luminescent properties of CdIIand ZnIIcomplexes assembled by 4-aminophenylhydroxamic acid","RSC Adv.","2014","4","1","147","","10.1039/C3RA44489A","","","0.71073","MoKα","","0.034","0.0287","","","0.0769","0.0795","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239285","19.7107","0.0009","19.7107","0.0009","11.0593","0.001","90","","90","","90","","4296.7","0.5","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C9 H10 N2 O4 Zn -","- C9 H10 N2 O4 Zn -","- C144 H160 N32 O64 Zn16 -","16","1","","Chen, Yanmei; Gao, Qian; Liu, Yonglu; Cao, Yanyuan; Gao, Dandan; Liu, Jinna; Zhao, Jingjing; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, crystal structures and luminescent properties of CdIIand ZnIIcomplexes assembled by 4-aminophenylhydroxamic acid","RSC Adv.","2014","4","1","147","","10.1039/C3RA44489A","","","0.71073","MoKα","","0.0369","0.034","","","0.1058","0.1082","","","","","","1.133","","","","has coordinates","244635","2020-10-21","18:00:00",""
"7239286","19.7648","0.0003","19.7648","0.0003","11.0481","0.0004","90","","90","","90","","4315.91","0.18","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C37 H44 N8 O17 Zn4 -","- C37 H40 N8 O17 Zn4 -","- C148 H160 N32 O68 Zn16 -","4","0.25","","Chen, Yanmei; Gao, Qian; Liu, Yonglu; Cao, Yanyuan; Gao, Dandan; Liu, Jinna; Zhao, Jingjing; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, crystal structures and luminescent properties of CdIIand ZnIIcomplexes assembled by 4-aminophenylhydroxamic acid","RSC Adv.","2014","4","1","147","","10.1039/C3RA44489A","","","0.71073","MoKα","","0.0386","0.0322","","","0.0947","0.1005","","","","","","1.052","","","","has coordinates,has disorder","244635","2020-10-21","18:00:00",""
"7239287","11.2663","0.0003","10.663","0.0003","13.203","0.0003","90","","90","","90","","1586.11","0.07","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H14 N O -","- C9 H14 N O -","- C72 H112 N8 O8 -","8","1","","Hoshino, Norihisa; Takeda, Takashi; Akutagawa, Tomoyuki","Multi-functional molecular rotators with dielectric, magnetic and optical responses","RSC Adv.","2014","4","2","743","","10.1039/C3RA44515A","","","1.54187","CuKα","","0.0761","0.0656","","","0.1603","0.1655","","","","","","1.133","","","","has coordinates","244636","2020-10-21","18:00:00",""
"7239288","14.6107","0.0004","24.5125","0.0007","11.319","0.0003","90","","90","","90","","4053.84","0.19","296","2","296","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C24 H24 N2 O3 -","- C24 H24 N2 O3.5 -","- C192 H192 N16 O28 -","8","1","","Manna, Susanta Kumar; Mondal, Suresh Kumar; Ahmed, Atiur; Mandal, Arabinda; Jana, Atanu; Ikbal, Mohammed; Samanta, Shubhankar; Ray, Jayanta K.","One-pot synthesis of highly fluorescent polycyclic benzimidazole derivatives","RSC Adv.","2014","4","5","2474","","10.1039/C3RA44521F","","","0.71073","MoKα","","0.0805","0.0495","","","0.1576","0.1829","","","","","","1.265","","","","has coordinates","244637","2020-10-21","18:00:00",""
"7239292","13.6908","0.0015","34.25","0.004","14.9404","0.0016","90","","107.863","0.002","90","","6668","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H35 Co N2 O12.5 S2 -","- C23 H19 Co N2 O4.5 S2 -","- C184 H152 Co8 N16 O36 S16 -","8","1","","Zhang, Shuang; Sun, Ning-Xi; Li, Li; Han, Zheng-Bo; Zheng, Yan-Zhen","Two porous Co(ii) bithiophenedicarboxylate metal‒organic frameworks: from a self-interpenetrating framework to a two-fold interpenetrating α-Po topological network","RSC Advances","2014","4","11","5740","","10.1039/c3ra44559c","","","0.71073","MoKα","","0.1146","0.0501","","","0.0796","0.086","","","","","","0.998","","","","has coordinates","244639","2020-10-21","18:00:00",""
"7239293","21.584","0.002","16.652","0.001","18.176","0.002","90","","102.55","0.013","90","","6376.7","1","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C44 H66 Co2 N4 O27 S4 -","- C44 H28 Co2 N4 O8 S4 -","- C176 H112 Co8 N16 O32 S16 -","4","1","","Zhang, Shuang; Sun, Ning-Xi; Li, Li; Han, Zheng-Bo; Zheng, Yan-Zhen","Two porous Co(ii) bithiophenedicarboxylate metal‒organic frameworks: from a self-interpenetrating framework to a two-fold interpenetrating α-Po topological network","RSC Advances","2014","4","11","5740","","10.1039/c3ra44559c","","","0.71073","MoKα","","0.1401","0.0863","","","0.2128","0.2424","","","","","","1.024","","","","has coordinates,has disorder","244639","2020-10-21","18:00:00",""
"7239294","19.5855","0.0004","15.4343","0.0003","21.1972","0.0004","90","","102.275","0.0019","90","","6261.2","0.2","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H64 Cl8 O18 -","- C53 H58 O18 -","- C212 H232 O72 -","4","0.5","","Pan, Mingguang; Xue, Min","Pillar[5]arene derivatives with three different kinds of repeating units: first examples, crystal structures and selective preparation","RSC Adv.","2014","4","1","260","","10.1039/C3RA44581J","","","1.54184","CuKα","","0.061","0.0547","","","0.1448","0.1486","","","","","","1.034","","","","has coordinates","244640","2020-10-21","18:00:00",""
"7239295","21.1413","0.0007","19.5241","0.0007","24.0141","0.0012","90","","90","","90","","9912.2","0.7","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C52 H54 Cl2 O18 -","- C52 H54 Cl2 O18 -","- C416 H432 Cl16 O144 -","8","1","","Pan, Mingguang; Xue, Min","Pillar[5]arene derivatives with three different kinds of repeating units: first examples, crystal structures and selective preparation","RSC Adv.","2014","4","1","260","","10.1039/C3RA44581J","","","0.71073","MoKα","","0.102","0.0643","","","0.1617","0.1858","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239296","12.209","0.0011","12.3468","0.0011","19.3418","0.0017","84.024","0.007","87.96","0.007","61.29","0.009","2542.9","0.5","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C51.5 H51.5 Cl2 O18.25 -","- C50 H48 Cl2 O18 -","- C100 H96 Cl4 O36 -","2","1","","Pan, Mingguang; Xue, Min","Pillar[5]arene derivatives with three different kinds of repeating units: first examples, crystal structures and selective preparation","RSC Adv.","2014","4","1","260","","10.1039/C3RA44581J","","","0.71073","MoKα","","0.1436","0.0903","","","0.2604","0.2991","","","","","","1.087","","","","has coordinates","244640","2020-10-21","18:00:00",""
"7239297","12.579","0.003","14.929","0.003","15.012","0.003","64.15","0.03","77.01","0.03","73.74","0.03","2418.3","1.1","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H44 Cl4 O18 -","- C49 H44 Cl4 O18 -","- C98 H88 Cl8 O36 -","2","1","","Pan, Mingguang; Xue, Min","Pillar[5]arene derivatives with three different kinds of repeating units: first examples, crystal structures and selective preparation","RSC Adv.","2014","4","1","260","","10.1039/C3RA44581J","","","0.71073","MoKα","","0.1746","0.1228","","","0.3212","0.4015","","","","","","1.418","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239298","12.101","0.002","15.262","0.003","15.448","0.003","91.89","0.03","95.89","0.03","101.88","0.03","2772.9","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H119 Cl8 N O36 -","- C107.99 H119 Cl7.99 N O36 -","- C107.99 H119 Cl7.99 N O36 -","1","0.5","","Pan, Mingguang; Xue, Min","Pillar[5]arene derivatives with three different kinds of repeating units: first examples, crystal structures and selective preparation","RSC Adv.","2014","4","1","260","","10.1039/C3RA44581J","","","0.71073","MoKα","","0.1475","0.1214","","","0.3832","0.4225","","","","","","1.752","","","","has coordinates,has disorder","244640","2020-10-21","18:00:00",""
"7239306","8.411","0.003","10.33","0.004","28.478","0.011","90","","91.758","0.007","90","","2473.2","1.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Cl N2 O3 -","- C28 H27 Cl N2 O3 -","- C112 H108 Cl4 N8 O12 -","4","1","","Revathy, Krishnan; Lalitha, Appaswami","An efficient green chemistry protocol for the synthesis of novel spiropyrrolizidine compounds","RSC Adv.","2014","4","1","279","","10.1039/C3RA44627A","","","0.71073","MoKα","","0.1153","0.0808","","","0.1668","0.1838","","","","","","1.076","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239307","12.2924","0.0013","25.473","0.003","14.2689","0.0015","90","","109.771","0.002","90","","4204.6","0.8","571","2","571","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cl N2 O2 -","- C25 H21 Cl N2 O2 -","- C200 H168 Cl8 N16 O16 -","8","2","","Revathy, Krishnan; Lalitha, Appaswami","An efficient green chemistry protocol for the synthesis of novel spiropyrrolizidine compounds","RSC Adv.","2014","4","1","279","","10.1039/C3RA44627A","","","0.71073","MoKα","","0.1252","0.1101","","","0.193","0.1992","","","","","","1.357","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239309","8.195","0.0002","9.6329","0.0002","17.085","0.0005","101.708","0.001","103.83","0.002","94.223","0.002","1271.74","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H26 Cl2 Mn N4 O9 -","- C21 H26 Cl2 Mn N4 O9 -","- C42 H52 Cl4 Mn2 N8 O18 -","2","1","","Saravanan, Natarajan; Sankaralingam, Muniyandi; Palaniandavar, Mallayan","Manganese(ii) complexes of tetradentate 4N ligands with diazepane backbones for catalytic olefin epoxidation: effect of nucleophilicity of peroxo complexes on reactivity","RSC Adv.","2014","4","23","12000","","10.1039/C3RA44729D","","","0.71073","MoKα","","0.0789","0.0635","","","0.2212","0.2454","","","","","","1.008","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7239320","15.4838","0.0006","13.2567","0.0005","7.8274","0.0003","90","","98.951","0.002","90","","1587.12","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","","Kotipalli, Trimurtulu; Kavala, Veerababurao; Janreddy, Donala; Kuo, Chun-Wei; Kuo, Ting-Shen; Huang, Hsiu-Ni; He, Chiu-Hui; Yao, Ching-Fa","Syntheses of indolo[1,2-a]quinazolinone derivatives via palladium catalyzed intramolecular C–H amidation","RSC Adv.","2014","4","5","2274","","10.1039/C3RA44798G","","","0.71073","MoKα","","0.0618","0.0377","","","0.0994","0.1363","","","","","","0.704","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239322","3.7225","0.0006","14.857","0.003","27.524","0.004","90","","90","","90","","1522.2","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H N4 O2 -","- C21 H12 N4 O2 -","- C84 H48 N16 O8 -","4","1","","Li, Bo; Yue, Zhizhou; Xiang, Haoyue; Lv, Linlin; Song, Shanshan; Miao, Zehong; Yang, Chunhao","Catalyst-free synthesis of benzofuran-fused pyrido[4,3-d]pyrimidines from 2-(2-hydroxyaryl)acetonitrile and 4,6-dichloropyrimidine-5-carbaldehyde through domino condensation reactions","RSC Adv.","2014","4","1","358","","10.1039/C3RA44828B","","","0.71073","MoKα","","0.1197","0.0931","","","0.1219","0.1261","","","","","","1.874","","","","has coordinates","244651","2020-10-21","18:00:00",""
"7239323","3.8285","0.0015","21.348","0.008","22.566","0.01","78.7","0.03","90","","90","","1808.6","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H34 N8 O8 -","- C46 H32 N8 O8 -","- C92 H64 N16 O16 -","2","1","","Li, Bo; Yue, Zhizhou; Xiang, Haoyue; Lv, Linlin; Song, Shanshan; Miao, Zehong; Yang, Chunhao","Catalyst-free synthesis of benzofuran-fused pyrido[4,3-d]pyrimidines from 2-(2-hydroxyaryl)acetonitrile and 4,6-dichloropyrimidine-5-carbaldehyde through domino condensation reactions","RSC Adv.","2014","4","1","358","","10.1039/C3RA44828B","","","0.71073","MoKα","","0.3507","0.0735","","","0.072","0.1323","","","","","","0.759","","","","has coordinates","244651","2020-10-21","18:00:00",""
"7239324","15.0672","0.0017","6.7903","0.0008","13.0874","0.0015","90","","107.667","0.002","90","","1275.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O7 -","- C14 H15 N O7 -","- C56 H60 N4 O28 -","4","1","","En, Da; Guo, Yuan; Chen, Bo-Ting; Dong, Biao; Peng, Meng-Jiao","Coumarin-derived Fe3±selective fluorescent turn-off chemosensors: synthesis, properties, and applications in living cells","RSC Adv.","2014","4","1","248","","10.1039/C3RA44843F","","","0.71073","MoKα","","0.059","0.0405","","","0.1054","0.1308","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239325","12.4688","0.0007","10.2492","0.0006","16.9379","0.0009","90","","97.094","0.005","90","","2148","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 N4 O2 -","- C27 H20 N4 O2 -","- C108 H80 N16 O8 -","4","1","","Bagdi, Prasanta Ray; Basha, R. Sidick; Baruah, Pranjal Kumar; Khan, Abu T.","Copper oxide nanoparticle mediated ‘click chemistry’ for the synthesis of mono-, bis- and tris-triazole derivatives from 10,10-dipropargyl-9-anthrone as a key building block","RSC Advances","2014","4","21","10652","","10.1039/c3ra44869j","","","0.71073","MoKα","","0.1181","0.0634","","","0.1559","0.1991","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239326","17.5453","0.0009","9.9306","0.0006","18.578","0.001","90","","108.562","0.002","90","","3068.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27.05 N8 O5.53 -","- C34 H27.05 N8 O5.525 -","- C136 H108.2 N32 O22.1 -","4","1","","Bagdi, Prasanta Ray; Basha, R. Sidick; Baruah, Pranjal Kumar; Khan, Abu T.","Copper oxide nanoparticle mediated ‘click chemistry’ for the synthesis of mono-, bis- and tris-triazole derivatives from 10,10-dipropargyl-9-anthrone as a key building block","RSC Advances","2014","4","21","10652","","10.1039/c3ra44869j","","","0.71073","MoKα","","0.095","0.0446","","","0.1055","0.1218","","","","","","0.901","","","","has coordinates","244653","2020-10-21","18:00:00",""
"7239329","5.7158","0.0002","9.9633","0.0004","11.1928","0.0004","108.896","0.002","92.553","0.002","90.149","0.002","602.36","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C28 H32 N4 O2 -","2","1","","Majji, Ganesh; Rout, Saroj Kumar; Guin, Srimanta; Gogoi, Anupal; Patel, Bhisma K.","Iodine-catalysed oxidative cyclisation of acylhydrazones to 2,5-substituted 1,3,4-oxadiazoles","RSC Advances","2014","4","11","5357","","10.1039/c3ra44897e","","","0.71073","MoKα","","0.0483","0.0384","","","0.1139","0.1213","","","","","","1.062","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239330","12.8565","0.0007","13.821","0.0007","8.0271","0.0004","90","","98.229","0.005","90","","1411.65","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 6-propyl-9H-carbazole-3-carboxylate","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Rasheed, Sk.; Rao, D. Nageswar; Reddy, K. Ranjith; Aravinda, S.; Vishwakarma, Ram A.; Das, Parthasarathi","C–N bond formation via Cu-catalyzed cross-coupling with boronic acids leading to methyl carbazole-3-carboxylate: synthesis of carbazole alkaloids","RSC Advances","2014","4","10","4960","","10.1039/c3ra44903c","","","0.71073","MoKα","","0.0856","0.052","","","0.1298","0.1561","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239334","15.2615","0.0009","16.0717","0.0007","16.9595","0.0008","90","","90","","90","","4159.8","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H20 N2 -","- C29 H20 N2 -","- C232 H160 N16 -","8","1","","Thanikachalam, V.; Arunpandiyan, A.; Jayabharathi, J.; Ramanathan, P.","Photophysical properties of the intramolecular excited charge-transfer states of π-expanded styryl phenanthrimidazoles – effect of solvent polarity","RSC Adv.","2014","4","13","6790","","10.1039/C3RA44994G","","","0.71073","MoKα","","0.0599","0.0365","","","0.0861","0.1017","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239335","12.665","0.003","8.8588","0.0019","14.424","0.003","90","","110.803","0.003","90","","1512.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Br2 O4 S2 -","- C13 H10 Br2 O4 S2 -","- C52 H40 Br8 O16 S8 -","4","1","","Tusy, Chuong; Huang, Lili; Jin, Jingpeng; Xia, Jiangbin","Synthesis and investigation of novel thiophene derivatives containing heteroatom linkers for solid state polymerization","RSC Advances","2014","4","16","8011","","10.1039/c3ra45014g","","","0.71073","MoKα","","0.1002","0.0643","","","0.1745","0.2005","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239336","13.2636","0.0018","10.1957","0.0013","27.784","0.004","90","","90","","90","","3757.3","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Br2 O4 S2 Si -","- C14 H14 Br2 O4 S2 Si -","- C112 H112 Br16 O32 S16 Si8 -","8","1","","Tusy, Chuong; Huang, Lili; Jin, Jingpeng; Xia, Jiangbin","Synthesis and investigation of novel thiophene derivatives containing heteroatom linkers for solid state polymerization","RSC Advances","2014","4","16","8011","","10.1039/c3ra45014g","","","0.71073","MoKα","","0.0982","0.0517","","","0.1038","0.1223","","","","","","1.01","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239337","14.6939","0.0012","9.2288","0.0007","15.8097","0.0012","90","","104.924","0.001","90","","2071.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 I2 O4 P S2 -","- C18 H13 I2 O4 P S2 -","- C72 H52 I8 O16 P4 S8 -","4","1","","Tusy, Chuong; Huang, Lili; Jin, Jingpeng; Xia, Jiangbin","Synthesis and investigation of novel thiophene derivatives containing heteroatom linkers for solid state polymerization","RSC Advances","2014","4","16","8011","","10.1039/c3ra45014g","","","0.71073","MoKα","","0.0321","0.0253","","","0.0532","0.0564","","","","","","1.019","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239338","16.903","0.008","28.697","0.013","8.005","0.004","90","","90","","90","","3883","3","296","2","296","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C14 H14 I2 O4 S2 Si -","- C14 H14 I2 O4 S2 Si -","- C112 H112 I16 O32 S16 Si8 -","8","1","","Tusy, Chuong; Huang, Lili; Jin, Jingpeng; Xia, Jiangbin","Synthesis and investigation of novel thiophene derivatives containing heteroatom linkers for solid state polymerization","RSC Advances","2014","4","16","8011","","10.1039/c3ra45014g","","","0.71073","MoKα","","0.0854","0.0741","","","0.1931","0.2056","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239339","11.2731","0.0008","10.6669","0.0007","22.7178","0.0015","90","","91.852","0.002","90","","2730.4","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 O6 -","- C34 H28 O6 -","- C136 H112 O24 -","4","1","","Xu, Yuewen; Xu, Weiwei L.; Smith, Mark D.; Shimizu, Linda S.","Self-assembly and ring-opening metathesis polymerization of a bifunctional carbonate–stilbene macrocycle","RSC Adv.","2014","4","4","1675","","10.1039/C3RA45055D","","","0.71073","MoKα","","0.0649","0.0394","","","0.0755","0.084","","","","","","0.912","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239340","10.9128","0.0008","11.6446","0.0008","12.421","0.0009","97.081","0.001","100.513","0.001","98.806","0.001","1514.93","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H30 Cl2 O6 -","- C35 H30 Cl2 O6 -","- C70 H60 Cl4 O12 -","2","1","","Xu, Yuewen; Xu, Weiwei L.; Smith, Mark D.; Shimizu, Linda S.","Self-assembly and ring-opening metathesis polymerization of a bifunctional carbonate–stilbene macrocycle","RSC Adv.","2014","4","4","1675","","10.1039/C3RA45055D","","","0.71073","MoKα","","0.0603","0.0492","","","0.1362","0.1449","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239341","14.555","0.004","5.669","0.0016","18.31","0.005","90","","96.521","0.006","90","","1501","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 O7 -","- C38 H36 O7 -","- C76 H72 O14 -","2","0.5","","Xu, Yuewen; Xu, Weiwei L.; Smith, Mark D.; Shimizu, Linda S.","Self-assembly and ring-opening metathesis polymerization of a bifunctional carbonate‒stilbene macrocycle","RSC Adv.","2014","4","4","1675","","10.1039/C3RA45055D","","","0.71073","MoKα","","0.0548","0.0416","","","0.0942","0.1011","","","","","","1.022","","","","has coordinates,has disorder","244661","2020-10-21","18:00:00",""
"7239342","14.5074","0.0004","11.5459","0.0004","21.8496","0.0008","90","","96.259","0.003","90","","3638","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Complex 1","","","- C38 H30 N6 O8 Zn2 -","- C38 H30 N6 O8 Zn2 -","- C152 H120 N24 O32 Zn8 -","4","0.5","","Jena, Himanshu Sekhar","Diastereoselective self-assembly of heterochiral Zn(ii) complexes of racemic Schiff bases in a chiral self-discriminating process: effect of non-covalent interactions on solid state structural self-assembly","RSC Adv.","2014","4","6","3028","","10.1039/C3RA45082A","","","0.71073","MoKα","","0.0306","0.0276","","","0.0694","0.0716","","","","","","1.004","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239343","14.3323","0.0003","9.2491","0.0002","15.9719","0.0003","90","","123.457","0.001","90","","1766.42","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Complex 2","","","- C38 H30 N10 O2 Zn2 -","- C38 H30 N10 O2 Zn2 -","- C76 H60 N20 O4 Zn4 -","2","0.5","","Jena, Himanshu Sekhar","Diastereoselective self-assembly of heterochiral Zn(ii) complexes of racemic Schiff bases in a chiral self-discriminating process: effect of non-covalent interactions on solid state structural self-assembly","RSC Adv.","2014","4","6","3028","","10.1039/C3RA45082A","","","0.71073","MoKα","","0.0516","0.0516","","","0.1187","0.1187","","","","","","1.372","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239344","8.8651","0.0003","8.9933","0.0003","11.754","0.0004","88.581","0.002","80.825","0.002","83.676","0.002","919.46","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Complex 3","","","- C40 H30 N6 O2 S2 Zn2 -","- C40 H30 N6 O2 S2 Zn2 -","- C40 H30 N6 O2 S2 Zn2 -","1","0.5","","Jena, Himanshu Sekhar","Diastereoselective self-assembly of heterochiral Zn(ii) complexes of racemic Schiff bases in a chiral self-discriminating process: effect of non-covalent interactions on solid state structural self-assembly","RSC Adv.","2014","4","6","3028","","10.1039/C3RA45082A","","","0.71073","MoKα","","0.0393","0.0304","","","0.0881","0.1026","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239345","22.625","0.003","8.3854","0.0008","22.904","0.003","90","","114.515","0.013","90","","3953.6","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Complex 4","","","- C46 H34 N6 O8 Zn2 -","- C46 H34 N6 O8 Zn2 -","- C184 H136 N24 O32 Zn8 -","4","0.5","","Jena, Himanshu Sekhar","Diastereoselective self-assembly of heterochiral Zn(ii) complexes of racemic Schiff bases in a chiral self-discriminating process: effect of non-covalent interactions on solid state structural self-assembly","RSC Adv.","2014","4","6","3028","","10.1039/C3RA45082A","","","0.71073","MoKα","","0.0998","0.0459","","","0.0844","0.0981","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239346","11.0381","0.001","13.9811","0.0012","13.0736","0.0011","90","","96.529","0.005","90","","2004.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Complex 5","","","- C46 H34 N10 O2 Zn2 -","- C46 H34 N10 O2 Zn2 -","- C92 H68 N20 O4 Zn4 -","2","0.5","","Jena, Himanshu Sekhar","Diastereoselective self-assembly of heterochiral Zn(ii) complexes of racemic Schiff bases in a chiral self-discriminating process: effect of non-covalent interactions on solid state structural self-assembly","RSC Adv.","2014","4","6","3028","","10.1039/C3RA45082A","","","0.71073","MoKα","","0.0552","0.0375","","","0.096","0.1054","","","","","","1.01","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239347","24.6911","0.0018","10.2087","0.0008","20.4419","0.0015","90","","90","","90","","5152.7","0.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Complex 6","","","- C27 H24 N4 O2 S Zn -","- C27 H24 N4 O2 S Zn -","- C216 H192 N32 O16 S8 Zn8 -","8","1","","Jena, Himanshu Sekhar","Diastereoselective self-assembly of heterochiral Zn(ii) complexes of racemic Schiff bases in a chiral self-discriminating process: effect of non-covalent interactions on solid state structural self-assembly","RSC Adv.","2014","4","6","3028","","10.1039/C3RA45082A","","","0.71073","MoKα","","0.1044","0.0564","","","0.1201","0.1418","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239351","12.8518","0.0004","16.4858","0.0006","22.2701","0.0007","78.66","0.003","73.634","0.003","82.764","0.003","4426.3","0.3","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H112 F12 N4 O20 P2 -","- C83 H112 F12 N4 O20 P2 -","- C166 H224 F24 N8 O40 P4 -","2","1","","Chi, Xiaodong; Xue, Min","Inclusion [2]complexes based on a pillar[5]arene with mono(ethylene oxide) substituents and vinylogous viologens","RSC Adv.","2014","4","1","365","","10.1039/C3RA45169K","","","1.54184","CuKα","","0.0834","0.0687","","","0.1797","0.1912","","","","","","1.066","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239352","9.4104","0.001","9.6627","0.0009","10.6311","0.001","78.191","0.005","66.629","0.006","89.263","0.005","866.08","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Cl N O3 -","- C21 H18 Cl N O3 -","- C42 H36 Cl2 N2 O6 -","2","1","","Das, Deb K.; Sarkar, Satavisha; Khan, Abu T.; Saravanan, Parameswaran; Patra, Sanjukta","Synthesis of fused tetrahydropyrido[2,3-c]coumarin derivatives as potential inhibitors for dopamine d3 receptors, catalyzed by hydrated ferric sulfate","RSC Adv.","2014","4","7","3581","","10.1039/C3RA45174G","","","0.71073","MoKα","","0.0504","0.0384","","","0.0815","0.0865","","","","","","1.004","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239353","11.8099","0.0005","9.7399","0.0005","12.737","0.0006","90","","93.828","0.002","90","","1461.83","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Das, Deb K.; Sarkar, Satavisha; Khan, Abu T.; Saravanan, Parameswaran; Patra, Sanjukta","Synthesis of fused tetrahydropyrido[2,3-c]coumarin derivatives as potential inhibitors for dopamine d3 receptors, catalyzed by hydrated ferric sulfate","RSC Adv.","2014","4","7","3581","","10.1039/C3RA45174G","","","0.71073","MoKα","","0.092","0.0503","","","0.1131","0.1292","","","","","","1.031","","","","has coordinates","244665","2020-10-21","18:00:00",""
"7239354","10","0.001","15.6555","0.0016","16.5447","0.0016","115.226","0.01","101.302","0.008","98.774","0.009","2214.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N6 O2 -","- C26 H20 N6 O2 -","- C104 H80 N24 O8 -","4","2","","Singh, Divya Pratap; Allam, Bharat Kumar; Singh, Krishna Nand; Singh, Vinod Prasad","A binuclear Mn(ii) complex as an efficient catalyst for transamidation of carboxamides with amines","RSC Adv.","2014","4","3","1155","","10.1039/C3RA45176C","","","0.71073","MoKα","","0.3186","0.0766","","","0.0814","0.1401","","","","","","0.91","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239355","11.6403","0.0009","12.6172","0.001","12.7323","0.0009","60.362","0.002","73.137","0.002","63.765","0.002","1451.75","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H44 Cl0 Mn2 N12 O16 -","- C56 H44 Mn2 N12 O16 -","- C56 H44 Mn2 N12 O16 -","1","0.5","","Singh, Divya Pratap; Allam, Bharat Kumar; Singh, Krishna Nand; Singh, Vinod Prasad","A binuclear Mn(ii) complex as an efficient catalyst for transamidation of carboxamides with amines","RSC Adv.","2014","4","3","1155","","10.1039/C3RA45176C","","","0.71073","MoKα","","0.1092","0.0776","","","0.2243","0.259","","","","","","1.085","","","","has coordinates","244666","2020-10-21","18:00:00",""
"7239356","14.0952","0.0013","10.0541","0.0009","14.1685","0.0013","90","","111.818","0.001","90","","1864.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C92 H88 N8 O12 -","4","1","","Bhat, Subrahmanya Ishwar; Trivedi, Darshak R.","A highly efficient and green cascade synthesis of 3-methyl-substituted-4-hydroxy-1-methyl-quinolin-2(1H)-ones under solvent- and catalyst-free conditions","RSC Advances","2014","4","22","11300","","10.1039/c3ra45208e","","","0.71073","MoKα","","0.0487","0.0382","","","0.1009","0.1068","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239357","9.3769","0.0016","10.441","0.002","14.992","0.003","90.311","0.002","106.74","0.003","104.011","0.002","1359.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 Fe2 N16 Ni O4 -","- C48 H44 Fe2 N16 Ni O4 -","- C48 H44 Fe2 N16 Ni O4 -","1","0.5","","Zhou, Hongbo; Yan, Jiahao; Shen, Xiaoping; Zhou, Hu; Yuan, Aihua","Low dimensional cyano-bridged heterobimetallic M‒FeIII(M = NiII, CuII) complexes constructed from Mer-[FeIII(qcq)(CN)3]−building blocks: syntheses, structures and magnetic properties","RSC Adv.","2014","4","1","61","","10.1039/C3RA45218B","","","0.71073","MoKα","","0.1016","0.0607","","","0.1175","0.1297","","","","","","1.054","","","","has coordinates","244668","2020-10-21","18:00:00",""
"7239358","25.8501","0.0015","16.246","0.002","19.5463","0.0013","90","","121.075","0.004","90","","7030.7","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H78 Fe2 N18 Ni O6 -","- C66 H78 Fe2 N18 Ni O6 -","- C264 H312 Fe8 N72 Ni4 O24 -","4","0.5","","Zhou, Hongbo; Yan, Jiahao; Shen, Xiaoping; Zhou, Hu; Yuan, Aihua","Low dimensional cyano-bridged heterobimetallic M‒FeIII(M = NiII, CuII) complexes constructed from Mer-[FeIII(qcq)(CN)3]−building blocks: syntheses, structures and magnetic properties","RSC Adv.","2014","4","1","61","","10.1039/C3RA45218B","","","0.71073","MoKα","","0.07","0.0509","","","0.1203","0.1257","","","","","","1.033","","","","has coordinates","244668","2020-10-21","18:00:00",""
"7239359","10.283","0.002","12.391","0.003","13.032","0.003","107.05","0.03","94.67","0.03","94.81","0.03","1572.1","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H63.22 Cu Fe2 N18 O2.61 -","- C60 H62 Cu Fe2 N18 O2.606 -","- C60 H62 Cu Fe2 N18 O2.606 -","1","0.5","","Zhou, Hongbo; Yan, Jiahao; Shen, Xiaoping; Zhou, Hu; Yuan, Aihua","Low dimensional cyano-bridged heterobimetallic M‒FeIII(M = NiII, CuII) complexes constructed from Mer-[FeIII(qcq)(CN)3]−building blocks: syntheses, structures and magnetic properties","RSC Adv.","2014","4","1","61","","10.1039/C3RA45218B","","","0.71073","MoKα","","0.0893","0.075","","","0.1525","0.1601","","","","","","1.016","","","","has coordinates,has disorder","244668","2020-10-21","18:00:00",""
"7239360","10.35","0.002","12.023","0.003","12.921","0.003","101.583","0.003","94.969","0.003","94.44","0.003","1561.8","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H67.5 Cu Fe2 N18 O6.75 -","- C58 H58 Cu Fe2 N18 O6.746 -","- C58 H58 Cu Fe2 N18 O6.746 -","1","0.5","","Zhou, Hongbo; Yan, Jiahao; Shen, Xiaoping; Zhou, Hu; Yuan, Aihua","Low dimensional cyano-bridged heterobimetallic M‒FeIII(M = NiII, CuII) complexes constructed from Mer-[FeIII(qcq)(CN)3]−building blocks: syntheses, structures and magnetic properties","RSC Adv.","2014","4","1","61","","10.1039/C3RA45218B","","","0.71073","MoKα","","0.0719","0.048","","","0.1248","0.1356","","","","","","1.069","","","","has coordinates,has disorder","244668","2020-10-21","18:00:00",""
"7239361","5.9752","0.0009","25.124","0.004","13.832","0.0017","90","","97.08","0.009","90","","2060.6","0.5","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C13 H10 N2 -","- C13 H10 N2 -","- C104 H80 N16 -","8","2","","Khatun, Nilufa; Gogoi, Anupal; Basu, Pallabita; Das, Prasenjit; Patel, Bhisma K.","CuO nanoparticle catalysed synthesis of 2H-indazoles under ligand free conditions","RSC Adv.","2014","4","8","4080","","10.1039/C3RA45298K","","","0.71073","MoKα","","0.137","0.0681","","","0.2066","0.2543","","","","","","1.009","","","","has coordinates","244669","2020-10-21","18:00:00",""
"7239369","10.53","0.0012","12.5823","0.0015","15.1214","0.0018","99.573","0.002","108.832","0.002","97.267","0.002","1834.6","0.4","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","jonjk13","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","2","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.0583","0.0429","","","0.1102","0.1208","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239370","8.4671","0.0019","23.82","0.005","8.7557","0.0018","90","","99.09","0.005","90","","1743.7","0.6","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","jonjk48","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C88 H76 N4 O12 -","4","1","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.1076","0.0516","","","0.0938","0.1126","","","","","","1.006","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239371","12.226","0.002","15.112","0.003","18.934","0.003","90","","90","","90","","3498.2","1.1","100","0.5","100","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","jonjk66","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C160 H192 N16 O32 -","8","1","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.0914","0.0527","","","0.1255","0.1465","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239372","9.9208","0.0019","13.015","0.003","13.699","0.003","78.473","0.004","82.317","0.004","83.248","0.004","1710","0.6","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","jonjk59","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C88 H76 N4 O12 -","4","2","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.1231","0.062","","","0.1337","0.1631","","","","","","0.992","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239373","13.3622","0.0017","30.607","0.004","8.5678","0.0011","90","","92.242","0.003","90","","3501.3","0.8","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","jonjk60, 3-P21/c","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C176 H152 N8 O24 -","8","2","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.1191","0.0584","","","0.1282","0.1503","","","","","","0.931","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239374","10.8867","0.0006","11.7612","0.0007","19.4486","0.0011","90","","100.178","0.001","90","","2451","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","jonjk56","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C120 H112 N8 O16 -","4","1","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.1086","0.0515","","","0.0969","0.121","","","","","","1.005","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239375","13.031","0.004","5.3646","0.0017","22.323","0.007","90","","99.179","0.006","90","","1540.5","0.8","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonjk70","","","- C15 H19 N O5 S -","- C15 H19 N O5 S -","- C60 H76 N4 O20 S4 -","4","1","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.0945","0.0528","","","0.097","0.1117","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239376","9.0505","0.0018","23.669","0.005","8.6237","0.0018","90","","97.838","0.004","90","","1830.1","0.7","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","jonjk62","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","1","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.1121","0.0619","","","0.1275","0.147","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239377","8.2312","0.0016","9.912","0.002","23","0.005","81.845","0.004","87.012","0.004","89.587","0.003","1855","0.7","173","0.5","173","0.5","","","","","","","","4","P -1","-P 1","2","jonjk61","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","2","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.1722","0.0663","","","0.1259","0.1646","","","","","","0.961","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239378","11.6386","0.0008","19.1068","0.0013","11.7615","0.0008","90","","94.728","0.001","90","","2606.6","0.3","100","0.5","100","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","jonjk63","","","- C31 H30 N2 O4 -","- C31 H30 N2 O4 -","- C124 H120 N8 O16 -","4","2","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.1029","0.0559","","","0.1155","0.1372","","","","","","1.022","","","","has coordinates,has disorder","244671","2020-10-21","18:00:00",""
"7239379","6.2208","0.0003","12.7931","0.0005","13.3551","0.0005","113.491","0.002","91.551","0.002","97.433","0.002","962.95","0.07","296","2","296","2","","","","","","","synthesis","4","P -1","-P 1","2","","","","- C24 H17 N O4 -","- C24 H17 N O4 -","- C48 H34 N2 O8 -","2","1","","Banerjee, Arghya; Bera, Anupam; Santra, Sourav Kumar; Guin, Srimanta; Patel, Bhisma K.","Palladium-catalysed regioselective aroylation and acetoxylation of 3,5-diarylisoxazole via ortho C–H functionalisations","RSC Advances","2014","4","17","8558","","10.1039/c3ra45403g","","x-ray","0.71073","MoKα","","0.0441","0.0338","","","0.0825","0.0893","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239380","8.8993","0.0011","10.4759","0.0013","11.0032","0.0014","70.643","0.007","72.001","0.005","73.148","0.007","900.1","0.2","296","2","296","2","","","","","","","synthesis","4","P -1","-P 1","2","","","","- C23 H17 N O3 -","- C23 H17 N O3 -","- C46 H34 N2 O6 -","2","1","","Banerjee, Arghya; Bera, Anupam; Santra, Sourav Kumar; Guin, Srimanta; Patel, Bhisma K.","Palladium-catalysed regioselective aroylation and acetoxylation of 3,5-diarylisoxazole via ortho C–H functionalisations","RSC Advances","2014","4","17","8558","","10.1039/c3ra45403g","","x-ray","0.71073","MoKα","","0.198","0.177","","","0.4251","0.4315","","","","","","1.131","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239381","11.285","0.002","11.947","0.002","32.654","0.007","90","","92.262","0.004","90","","4399","1.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H45 Br2 Cd2 N4 O13 -","- C41 H45 Br2 Cd2 N4 O13 -","- C164 H180 Br8 Cd8 N16 O52 -","4","1","","Bisht, Kamal Kumar; Rachuri, Yadagiri; Parmar, Bhavesh; Suresh, Eringathodi","Structural and functional studies on ternary coordination polymers from 5-bromoisophthalate and imidazole based flexible linker","RSC Advances","2014","4","14","7352","","10.1039/c3ra45411h","","","0.71073","MoKα","","0.1036","0.0863","","","0.1724","0.1788","","","","","","1.239","","","","has coordinates","244673","2020-10-21","18:00:00",""
"7239382","9.298","0.003","10.903","0.003","13.375","0.004","75.732","0.005","76.533","0.005","70.13","0.005","1219.2","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Br Cu N4 O5 -","- C25 H25 Br Cu N4 O5 -","- C50 H50 Br2 Cu2 N8 O10 -","2","1","","Bisht, Kamal Kumar; Rachuri, Yadagiri; Parmar, Bhavesh; Suresh, Eringathodi","Structural and functional studies on ternary coordination polymers from 5-bromoisophthalate and imidazole based flexible linker","RSC Advances","2014","4","14","7352","","10.1039/c3ra45411h","","","0.71073","MoKα","","0.0776","0.056","","","0.1172","0.1269","","","","","","1.018","","","","has coordinates","244673","2020-10-21","18:00:00",""
"7239383","9.32","0.003","10.402","0.003","13.855","0.005","76.135","0.006","75.941","0.006","71.167","0.006","1214","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Br N4 Ni O5 -","- C25 H25 Br N4 Ni O5 -","- C50 H50 Br2 N8 Ni2 O10 -","2","1","","Bisht, Kamal Kumar; Rachuri, Yadagiri; Parmar, Bhavesh; Suresh, Eringathodi","Structural and functional studies on ternary coordination polymers from 5-bromoisophthalate and imidazole based flexible linker","RSC Advances","2014","4","14","7352","","10.1039/c3ra45411h","","","0.71073","MoKα","","0.1318","0.0859","","","0.1358","0.1524","","","","","","1.091","","","","has coordinates","244673","2020-10-21","18:00:00",""
"7239384","12.401","0.005","13.345","0.005","13.37","0.005","62.968","0.004","89.294","0.005","70.227","0.004","1828.1","1.2","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C48 H48 Co2 N16 O44 Si W12 -","- C48 H40 Co2 N16 O44 Si W12 -","- C48 H40 Co2 N16 O44 Si W12 -","1","1","","Yu, Tingting; Wang, Kun; Ma, Huiyuan; Pang, Haijun; Li, Shaobin","Assembly of co-bimb-polyoxotungstate hybrids: from 1D chain to 3D framework influenced by the charge of Keggin anions","RSC Adv.","2014","4","5","2235","","10.1039/C3RA45456H","","","0.71069","MoKα","","0.0527","0.051","","","0.1344","0.1361","","","","","","1.047","","","","has coordinates","244674","2020-10-21","18:00:00",""
"7239385","13.27","0.005","15.06","0.005","21.186","0.005","91.802","0.005","103.098","0.005","112.44","0.005","3779","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H45 B Co2 N16 O42 W12 -","- C48 H40 B Co2 N16 O41 W12 -","- C96 H80 B2 Co4 N32 O82 W24 -","2","1","","Yu, Tingting; Wang, Kun; Ma, Huiyuan; Pang, Haijun; Li, Shaobin","Assembly of co-bimb-polyoxotungstate hybrids: from 1D chain to 3D framework influenced by the charge of Keggin anions","RSC Adv.","2014","4","5","2235","","10.1039/C3RA45456H","","","0.71069","MoKα","","0.0921","0.0546","","","0.1312","0.1534","","","","","","1.023","","","","has coordinates","244674","2020-10-21","18:00:00",""
"7239386","17.159","0.003","8.7584","0.0013","20.018","0.003","90","","109.581","0.002","90","","2834.4","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cl2 F N3 O3 -","- C30 H26 Cl2 F N3 O3 -","- C120 H104 Cl8 F4 N12 O12 -","4","1","","Chen, Xuebing; Zhu, Li; Fang, Li; Yan, Shengjiao; Lin, Jun","Catalyst-free concise synthesis of imidazo[1,2-a]pyrrolo[3,4-e]pyridine derivatives","RSC Advances","2014","4","20","9926","","10.1039/c3ra45485a","","","0.71073","MoKα","","0.131","0.0596","","","0.1492","0.1929","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239387","7.6917","0.0005","7.9492","0.0006","13.3098","0.0007","86.424","0.005","87.503","0.005","63","0.008","723.58","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-(4-bromophenyl)-5-ethyl-6-methyl-4H-thieno[2,3-d][1,3]oxazin-4-one","","- C15 H12 Br N O2 S -","- C15 H12 Br N O2 S -","- C30 H24 Br2 N2 O4 S2 -","2","1","","Mugnaini, Claudia; Pedani, Valentina; Giunta, Daniela; Sechi, Barbara; Solinas, Maurizio; Casti, Alberto; Castelli, Maria Paola; Giorgi, Gianluca; Corelli, Federico","Synthesis, structural properties, and pharmacological evaluation of 2-(acylamino)thiophene-3-carboxamides and analogues thereof","RSC Adv.","2014","4","4","1782","","10.1039/C3RA45546G","","","0.71073","MoKα","","0.0623","0.0323","","","0.0628","0.0666","","","","","","0.86","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239388","14.3353","0.0018","3.7996","0.0005","22.573","0.004","90","","99.223","0.014","90","","1213.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-chlorophenyl)pyrrolo[3,2-d][1,3]oxazin-4(5H)-one x methanol","","- C13 H11 Cl N2 O3 -","- C13 H11 Cl N2 O3 -","- C52 H44 Cl4 N8 O12 -","4","1","","Mugnaini, Claudia; Pedani, Valentina; Giunta, Daniela; Sechi, Barbara; Solinas, Maurizio; Casti, Alberto; Castelli, Maria Paola; Giorgi, Gianluca; Corelli, Federico","Synthesis, structural properties, and pharmacological evaluation of 2-(acylamino)thiophene-3-carboxamides and analogues thereof","RSC Adv.","2014","4","4","1782","","10.1039/C3RA45546G","","","0.71073","MoKα","","0.3125","0.0464","","","0.0287","0.0459","","","","","","0.591","","","","has coordinates,has disorder","301866","2025-08-22","21:38:36",""
"7239389","7.0093","0.0005","11.713","0.0009","13.5092","0.0009","95.828","0.006","99.665","0.006","96.264","0.006","1078.67","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-methyl-6-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C48 H36 N12 O8 -","4","2","","Mugnaini, Claudia; Pedani, Valentina; Giunta, Daniela; Sechi, Barbara; Solinas, Maurizio; Casti, Alberto; Castelli, Maria Paola; Giorgi, Gianluca; Corelli, Federico","Synthesis, structural properties, and pharmacological evaluation of 2-(acylamino)thiophene-3-carboxamides and analogues thereof","RSC Adv.","2014","4","4","1782","","10.1039/C3RA45546G","","","0.71073","MoKα","","0.1165","0.0403","","","0.069","0.0789","","","","","","0.74","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239390","7.7353","0.0005","13.449","0.0011","13.933","0.002","75.851","0.009","80.947","0.009","80.713","0.007","1376.5","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Fe4 O6 Te2 -","- C26 H18 Fe4 O6 Te2 -","- C52 H36 Fe8 O12 Te4 -","2","1","","Mathur, Pradeep; Tauqeer, Mohd.; Ji, Radhe Shyam; Lahiri, Goutam K.; Mobin, Shaikh M.","Some unusual reactions of metal carbonyls with (Z)-1-ferrocenyltelluro-1-ferrocenyl-4-ferrocenyl-1-buten-3-yne","RSC Advances","2014","4","14","6878","","10.1039/c3ra45580g","","","0.71073","MoKα","","0.0404","0.0371","","","0.0945","0.098","","","","","","1.054","","","","has coordinates","244677","2020-10-21","18:00:00",""
"7239391","22.3039","0.0003","22.5704","0.0003","16.485","0.0002","90","","102.921","0.001","90","","8088.55","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H56 Fe12 O20 Te2 -","- C88 H56 Fe12 O20 Te2 -","- C352 H224 Fe48 O80 Te8 -","4","1","","Mathur, Pradeep; Tauqeer, Mohd.; Ji, Radhe Shyam; Lahiri, Goutam K.; Mobin, Shaikh M.","Some unusual reactions of metal carbonyls with (Z)-1-ferrocenyltelluro-1-ferrocenyl-4-ferrocenyl-1-buten-3-yne","RSC Advances","2014","4","14","6878","","10.1039/c3ra45580g","","","0.71073","MoKα","","0.0518","0.0323","","","0.0605","0.0678","","","","","","1.033","","","","has coordinates","244677","2020-10-21","18:00:00",""
"7239392","12.2811","0.0001","16.5388","0.0001","19.0771","0.0001","90","","89.822","0.001","90","","3874.82","0.04","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H30 Cl2 Fe5 O6 Te -","- C41 H30 Cl2 Fe5 O6 Te -","- C164 H120 Cl8 Fe20 O24 Te4 -","4","1","","Mathur, Pradeep; Tauqeer, Mohd.; Ji, Radhe Shyam; Lahiri, Goutam K.; Mobin, Shaikh M.","Some unusual reactions of metal carbonyls with (Z)-1-ferrocenyltelluro-1-ferrocenyl-4-ferrocenyl-1-buten-3-yne","RSC Advances","2014","4","14","6878","","10.1039/c3ra45580g","","","0.71073","MoKα","","0.0266","0.0216","","","0.0491","0.0515","","","","","","1.054","","","","has coordinates","244677","2020-10-21","18:00:00",""
"7239393","15.4026","0.0004","11.2473","0.0003","22.2283","0.0005","90","","108.394","0.002","90","","3654.04","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H33 Fe3 O3 P -","- C45 H33 Fe3 O3 P -","- C180 H132 Fe12 O12 P4 -","4","1","","Mathur, Pradeep; Tauqeer, Mohd.; Ji, Radhe Shyam; Lahiri, Goutam K.; Mobin, Shaikh M.","Some unusual reactions of metal carbonyls with (Z)-1-ferrocenyltelluro-1-ferrocenyl-4-ferrocenyl-1-buten-3-yne","RSC Advances","2014","4","14","6878","","10.1039/c3ra45580g","","","0.71073","MoKα","","0.0619","0.0453","","","0.1133","0.1263","","","","","","1.068","","","","has coordinates","244677","2020-10-21","18:00:00",""
"7239394","12.4459","0.0012","16.7817","0.0012","19.1562","0.0012","90","","91.587","0.007","90","","3999.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H29 Cl2 Fe5 O6 Te -","- C41 H29 Cl2 Fe5 O6 Te -","- C164 H116 Cl8 Fe20 O24 Te4 -","4","1","","Mathur, Pradeep; Tauqeer, Mohd.; Ji, Radhe Shyam; Lahiri, Goutam K.; Mobin, Shaikh M.","Some unusual reactions of metal carbonyls with (Z)-1-ferrocenyltelluro-1-ferrocenyl-4-ferrocenyl-1-buten-3-yne","RSC Advances","2014","4","14","6878","","10.1039/c3ra45580g","","","0.71073","MoKα","","0.1182","0.0784","","","0.1927","0.2386","","","","","","1.033","","","","has coordinates","244677","2020-10-21","18:00:00",""
"7239396","14.6762","0.0014","8.8145","0.0008","17.7485","0.0016","90","","92.436","0.002","90","","2293.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cl N4 O6 Zn -","- C23 H26 Cl N4 O6 Zn -","- C92 H104 Cl4 N16 O24 Zn4 -","4","1","","Huang, Feihu; Feng, Guoqiang","Highly selective and controllable pyrophosphate induced anthracene-excimer formation in water","RSC Adv.","2014","4","1","484","","10.1039/C3RA45681A","","","0.71073","MoKα","","0.0591","0.0402","","","0.1055","0.1194","","","","","","1.092","","","","has coordinates,has disorder","244679","2020-10-21","18:00:00",""
"7239397","10.543","0.004","11.55","0.004","21.298","0.008","90","","90","","90","","2593.5","1.7","93","","93","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Ag Cl N O4 S3 -","- C24 H27 Ag Cl N O4 S3 -","- C96 H108 Ag4 Cl4 N4 O16 S12 -","4","1","","Hiruta, Yuki; Watanabe, Takafumi; Nakamura, Etsuko; Iwasawa, Naoko; Sato, Hiroyasu; Hamada, Kensaku; Citterio, Daniel; Suzuki, Koji","Steric hindrance effects in tripodal ligands for extraction and back-extraction of Ag+","RSC Advances","2014","4","19","9791","","10.1039/c3ra45700a","","","0.71075","MoKα","","","0.0202","","","","0.0478","","","","","","0.98","","","","has coordinates","244680","2020-10-21","18:00:00",""
"7239398","15.5989","0.0017","15.5989","0.0017","11.1271","0.0009","90","","90","","120","","2344.8","0.4","93","","93","","","","","","","","","7","R 3 :H","R 3","146","","","","- C30 H39 Ag Cl N O4 S3 -","- C30 H39 Ag Cl N O4 S3 -","- C90 H117 Ag3 Cl3 N3 O12 S9 -","3","0.333333","","Hiruta, Yuki; Watanabe, Takafumi; Nakamura, Etsuko; Iwasawa, Naoko; Sato, Hiroyasu; Hamada, Kensaku; Citterio, Daniel; Suzuki, Koji","Steric hindrance effects in tripodal ligands for extraction and back-extraction of Ag+","RSC Advances","2014","4","19","9791","","10.1039/c3ra45700a","","","0.71075","MoKα","","","0.0388","","","","0.098","","","","","","1.104","","","","has coordinates","244680","2020-10-21","18:00:00",""
"7239399","8.7579","0.0008","10.0549","0.0009","16.4135","0.0015","104.343","0.002","94.619","0.002","106.2","0.002","1327.2","0.2","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C31 H31 N O6 -","- C31 H31 N O6 -","- C62 H62 N2 O12 -","2","1","","Hussain, M. Kamil; Ansari, M. Imran; Yadav, N.; Gupta, Puneet K.; Gupta, A. K.; Saxena, R.; Fatima, I.; Manohar, M.; Kushwaha, P.; Khedgikar, V.; Gautam, J.; Kant, Ruchir; Maulik, P. R.; Trivedi, R.; Dwivedi, A.; Kumar, K. Ravi; Saxena, A. K.; Hajela, K.","Design and synthesis of ERα/ERβ selective coumarin and chromene derivatives as potential anti-breast cancer and anti-osteoporotic agents","RSC Adv.","2014","4","17","8828","","10.1039/C3RA45749D","","","0.71073","MoKα","","0.0671","0.0514","","","0.1419","0.1548","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239400","5.9565","0.0009","14.401","0.002","19.337","0.003","90","","90","","90","","1658.7","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 F3 N O2 S -","- C15 H18 F3 N O2 S -","- C60 H72 F12 N4 O8 S4 -","4","1","","Xie, Chen; Mei, Haibo; Wu, Lingmin; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","LDA-promoted asymmetric synthesis of β-trifluoromethyl-β-amino indanone derivatives with virtually complete stereochemical outcome","RSC Adv.","2014","4","9","4763","","10.1039/C3RA45773G","","","0.71073","MoKα","","0.0823","0.0448","","","0.0922","0.0998","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239401","9.6442","0.0012","14.035","0.0013","15.9534","0.0018","90","","91.025","0.009","90","","2159","0.4","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C25 H21 N3 O6 -","- C25 H21 N3 O6 -","- C100 H84 N12 O24 -","4","1","","Ahadi, Somayeh; Kamranifard, Telma; Armaghan, Mahsa; Khavasi, Hamid Reza; Bazgir, Ayoob","Domino Knoevenagel condensation–Michael addition–cyclization for the diastereoselective synthesis of dihydrofuropyrido[2,3-d]pyrimidines via pyridinium ylides in water","RSC Advances","2014","4","14","7296","","10.1039/c3ra45795h","","","0.71073","MoKα","","0.1308","0.0641","","","0.143","0.1675","","","","","","0.958","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239402","6.2396","0.0012","10.686","0.002","16.23","0.003","93.23","0.03","93.54","0.03","101.83","0.03","1054.5","0.4","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 N4 O S -","- C25 H20 N4 O S -","- C50 H40 N8 O2 S2 -","2","1","","Tsikalas, George K.; Lazarou, Penelope; Klontzas, Emmanuel; Pergantis, Spiros A.; Spanopoulos, Ioannis; Trikalitis, Pantelis N.; Froudakis, George E.; Katerinopoulos, Haralambos E.","A “turn-on”–turning-to-ratiometric sensor for zinc(ii) ions in aqueous media","RSC Adv.","2014","4","2","693","","10.1039/C3RA45796F","","","0.71073","MoKα","","0.2401","0.094","","","0.1802","0.2196","","","","","","0.827","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239403","6.0659","0.0007","15.2611","0.0019","19.086","0.002","90","","98.971","0.002","90","","1745.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C80 H72 N16 O8 -","4","1","","Soria, Lorena; Ovejero, Paloma; Cano, Mercedes; Heras, José Vicente; Torres, M. Rosario; Claramunt, Rosa; Cornago, Pilar","Coordination behaviour of new dipyridylpyrazole ligands towards ZnCl2and PdCl2fragments. Crystalline structural characterization and multinuclear NMR studies as evidence of linkage and conformational isomers","RSC Adv.","2014","4","18","9383","","10.1039/C3RA45821K","","","0.71073","MoKα","","0.1861","0.0674","","","0.1569","0.1876","","","","","","0.998","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239404","13.105","0.003","21.483","0.005","8.0777","0.0019","90","","103.413","0.004","90","","2212.1","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 N4 O Zn -","- C20 H16 Cl2 N4 O Zn -","- C80 H64 Cl8 N16 O4 Zn4 -","4","1","","Soria, Lorena; Ovejero, Paloma; Cano, Mercedes; Heras, José Vicente; Torres, M. Rosario; Claramunt, Rosa; Cornago, Pilar","Coordination behaviour of new dipyridylpyrazole ligands towards ZnCl2and PdCl2fragments. Crystalline structural characterization and multinuclear NMR studies as evidence of linkage and conformational isomers","RSC Adv.","2014","4","18","9383","","10.1039/C3RA45821K","","","0.71073","MoKα","","0.1856","0.0822","","","0.1895","0.2039","","","","","","0.998","","","","has coordinates","244686","2020-10-21","18:00:00",""
"7239405","11.693","0.0011","13.833","0.0011","28.947","0.003","90","","96.969","0.003","90","","4647.6","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 Cl4 N4 O Pd -","- C21 H16 Cl4 N4 O Pd -","- C168 H128 Cl32 N32 O8 Pd8 -","8","1","","Soria, Lorena; Ovejero, Paloma; Cano, Mercedes; Heras, José Vicente; Torres, M. Rosario; Claramunt, Rosa; Cornago, Pilar","Coordination behaviour of new dipyridylpyrazole ligands towards ZnCl2and PdCl2fragments. Crystalline structural characterization and multinuclear NMR studies as evidence of linkage and conformational isomers","RSC Adv.","2014","4","18","9383","","10.1039/C3RA45821K","","","0.71073","MoKα","","0.1027","0.0513","","","0.133","0.1487","","","","","","0.998","","","","has coordinates,has disorder","244686","2020-10-21","18:00:00",""
"7239406","10.2191","0.0008","11.418","0.001","24.491","0.002","90","","100.554","0.002","90","","2809.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N6 O2 Ti -","- C28 H34 N6 O2 Ti -","- C112 H136 N24 O8 Ti4 -","4","1","","Lin, Miaoshui; Cao, Yuhua; Pei, Hao; Chen, Yanmei; Wu, Jian; Li, Yahong; Liu, Wei","Titanium isopropoxide complexes supported by pyrrolyl Schiff base ligands: syntheses, structures, and antitumor activity","RSC Advances","2014","4","18","9255","","10.1039/c3ra45823g","","","0.71073","MoKα","","0.0739","0.0668","","","0.1842","0.1906","","","","","","1.026","","","","has coordinates,has disorder","301866","2025-08-22","21:38:36",""
"7239407","10.268","0.002","11.468","0.003","24.648","0.006","90","","100.635","0.004","90","","2852.5","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N4 O2 Ti -","- C30 H36 N4 O2 Ti -","- C120 H144 N16 O8 Ti4 -","4","1","","Lin, Miaoshui; Cao, Yuhua; Pei, Hao; Chen, Yanmei; Wu, Jian; Li, Yahong; Liu, Wei","Titanium isopropoxide complexes supported by pyrrolyl Schiff base ligands: syntheses, structures, and antitumor activity","RSC Advances","2014","4","18","9255","","10.1039/c3ra45823g","","","0.71073","MoKα","","0.0987","0.0894","","","0.2296","0.2362","","","","","","1.109","","","","has coordinates,has disorder","301866","2025-08-22","21:38:36",""
"7239412","10.5046","0.0003","10.5322","0.0004","12.3574","0.0004","90.927","0.001","91.222","0.002","99.924","0.002","1346.14","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Br2 N2 O7 S -","- C24 H22 Br2 N2 O7 S -","- C48 H44 Br4 N4 O14 S2 -","2","1","","Kiruthika, Selvarangam E.; Perumal, Paramasivan T.","One-pot four-component approach for the construction of dihydropyridines and dihydropyridinones using amines and activated alkynes","RSC Adv.","2014","4","8","3758","","10.1039/C3RA45850D","","","0.71073","MoKα","","0.0709","0.0498","","","0.1304","0.1462","","","","","","1.051","","","","has coordinates,has disorder","301866","2025-08-22","21:38:36",""
"7239413","12.5132","0.0009","9.0524","0.0004","14.4988","0.001","90","","111.345","0.008","90","","1529.69","0.19","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","1","","Windle, Jonathan; Allison, Matthew; Shepherd, Helena; Sridharan, Visuvanathar","Sequential one-pot three component rhodium-catalysed isomerisation/1,3-dipolar cycloaddition cascades to fused-ring heterocycles","RSC Adv.","2014","4","6","2624","","10.1039/C3RA45906C","","","1.5418","CuKα","","0.0511","0.0422","","","0.1025","0.1111","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239415","12.13","0.02","12.3","0.02","13.15","0.02","111.064","0.003","102.557","0.011","111.48","0.03","1560","4","100","2","100","2","","","","","","","Javier Jaramillo-Garcia","5","P -1","-P 1","2","","","","- C28 H42 F13 N O2 -","- C28 H42 F13 N O2 -","- C56 H84 F26 N2 O4 -","2","1","","Busschaert, Nathalie; Jaramillo-Garcia, Javier; Light, Mark E.; Herniman, Julie; Langley, G. John; Gale, Philip A.","An anion-binding fluorinated alcohol isophthalamide isostere","RSC Advances","2014","4","11","5389","","10.1039/C3RA45956J","","","0.71073","MoKα","","0.1735","0.1271","","","0.3357","0.389","","","","","","1.176","","","","has coordinates,has disorder","301866","2025-08-22","21:38:36",""
"7239416","7.7525","0.0006","14.2782","0.001","10.7005","0.0008","90","","107.11","0.007","90","","1132.03","0.15","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H25 F12 N O2 -","- C20 H25 F12 N O2 -","- C40 H50 F24 N2 O4 -","2","0.5","","Busschaert, Nathalie; Jaramillo-Garcia, Javier; Light, Mark E.; Herniman, Julie; Langley, G. John; Gale, Philip A.","An anion-binding fluorinated alcohol isophthalamide isostere","RSC Advances","2014","4","11","5389","","10.1039/C3RA45956J","","","0.71075","MoKα","","0.0333","0.0293","","","0.0751","0.0778","","","","","","1.077","","","","has coordinates,has disorder","244692","2020-10-21","18:00:00",""
"7239417","10.867","0.009","12.175","0.008","14.662","0.012","111.01","0.04","102.34","0.07","101.96","0.05","1681","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H42 Cl F12 N O2 -","- C28 H42 Cl F12 N O2 -","- C56 H84 Cl2 F24 N2 O4 -","2","1","","Busschaert, Nathalie; Jaramillo-Garcia, Javier; Light, Mark E.; Herniman, Julie; Langley, G. John; Gale, Philip A.","An anion-binding fluorinated alcohol isophthalamide isostere","RSC Advances","2014","4","11","5389","","10.1039/C3RA45956J","","","0.71075","MoKα","","0.0553","0.042","","","0.0931","0.0989","","","","","","0.933","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239419","6.8829","0.0014","10.916","0.002","13.941","0.003","101.31","0.03","103.97","0.03","96.41","0.03","982.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cd N10 O -","- C16 H18 Cd N10 O -","- C32 H36 Cd2 N20 O2 -","2","1","","Luo, Yang-Hui; Wu, Dong-En; Ge, Shu-Wang; Li, Yuan; Sun, Bai-Wang","Mixed azide and substituted 1,2,4-triazole co-ligand bridged 1D chain cadmium(ii) motif: crystal structure, Hirshfeld surfaces and spectroscopic studies","RSC Advances","2014","4","23","11698","","10.1039/c3ra46125d","","","0.71073","MoKα","","0.0755","0.0576","","","0.1528","0.1661","","","","","","1.09","","","","has coordinates","244694","2020-10-21","18:00:00",""
"7239420","17.924","0.007","14.035","0.006","5.888","0.002","90","","90","","90","","1481.2","1","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H17 F N2 -","- C18 H17 F N2 -","- C72 H68 F4 N8 -","4","1","","Pal, Gargi; Paul, Sanjay; Ghosh, Partha Pratim; Das, Asish R.","PhIO promoted synthesis of nitrile imines and nitrile oxides within a micellar core in aqueous media: a regiocontrolled approach to synthesizing densely functionalized pyrazole and isoxazoline derivatives","RSC Advances","2014","4","16","8300","","10.1039/c3ra46129g","","","0.71073","MoKα","","0.0627","0.0438","","","0.0995","0.1117","","","","","","0.996","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239421","30.75","0.03","10.556","0.009","8.407","0.007","90","","104.36","0.01","90","","2644","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 Br N O -","- C15 H12 Br N O -","- C120 H96 Br8 N8 O8 -","8","1","","Pal, Gargi; Paul, Sanjay; Ghosh, Partha Pratim; Das, Asish R.","PhIO promoted synthesis of nitrile imines and nitrile oxides within a micellar core in aqueous media: a regiocontrolled approach to synthesizing densely functionalized pyrazole and isoxazoline derivatives","RSC Advances","2014","4","16","8300","","10.1039/c3ra46129g","","","0.71073","MoKα","","0.1844","0.0868","","","0.2361","0.2858","","","","","","1.048","","","","has coordinates","244695","2020-10-21","18:00:00",""
"7239422","15.585","0.0007","17.9285","0.0007","17.981","0.0008","90","","90","","90","","5024.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 Cl O9 -","- C24 H31 Cl O9 -","- C192 H248 Cl8 O72 -","8","2","","Lei, Hui; Sun, Jian-Fan; Han, Zhuang; Zhou, Xue-Feng; Yang, Bin; Liu, Yonghong","Fragilisinins A–L, new briarane-type diterpenoids from gorgonian Junceella fragilis","RSC Advances","2014","4","10","5261","","10.1039/c3ra46163g","","","0.71073","MoKα","","0.0865","0.043","","","0.0912","0.1116","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239423","9.384","0.002","10.889","0.003","11.239","0.003","65.601","0.004","82.825","0.003","74.204","0.002","1006.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","3-Benzyl-2-(4-fluoro-phenyl)-3-(1H-pyrrol-2-yl)-2,3-dihydro-isoindol-1-one","","","- C25 H19 F N2 O -","- C25 H19 F N2 O -","- C50 H38 F2 N4 O2 -","2","1","","Sarkar, Swarbhanu; Chatterjee, Nivedita; Roy, Manas; Pal, Rammyani; Sarkar, Sabyasachi; Sen, Asish Kumar","Nanodomain cubic cuprous oxide as reusable catalyst in one-pot synthesis of 3-alkyl/aryl-3-(pyrrole-2-yl/indole-3-yl)-2-phenyl-2,3-dihydro-isoindolinones in aqueous medium","RSC Advances","2014","4","14","7024","","10.1039/c3ra46168h","","","0.71073","MoKα","","0.176","0.0643","","","0.1765","0.2151","","","","","","1.487","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239424","14.53","0.002","9.0116","0.0013","19.199","0.003","90","","96.039","0.002","90","","2499.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H61 N2 O10 Sn2 -","- C53 H61 N2 O10 Sn2 -","- C106 H122 N4 O20 Sn4 -","2","0.5","","Xiao, Xiao; Yan, Lisong; Mei, Zemin; Zhu, Dongsheng; Xu, Lin","Two novel macrocyclic organotin(iv) carboxylates based on amide carboxylic acids","RSC Adv.","2014","4","6","3096","","10.1039/C3RA46198J","","","0.71073","MoKα","","0.0416","0.0292","","","0.0711","0.0775","","","","","","1.024","","","","has coordinates","244698","2020-10-21","18:00:00",""
"7239425","12.5992","0.0012","30.212","0.003","19.973","0.0019","90","","92.32","0.002","90","","7596.4","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H77 N3 O19 Sn3 -","- C72 H75 N3 O19 Sn3 -","- C288 H300 N12 O76 Sn12 -","4","0.5","","Xiao, Xiao; Yan, Lisong; Mei, Zemin; Zhu, Dongsheng; Xu, Lin","Two novel macrocyclic organotin(iv) carboxylates based on amide carboxylic acids","RSC Adv.","2014","4","6","3096","","10.1039/C3RA46198J","","","0.71073","MoKα","","0.1112","0.0647","","","0.1624","0.1892","","","","","","1.036","","","","has coordinates","244698","2020-10-21","18:00:00",""
"7239426","5.5189","0.0008","9.8023","0.0015","15.11","0.002","93.688","0.002","92.037","0.002","90.788","0.002","815.1","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H14 N2 O3 -","- C21 H14 N2 O3 -","- C42 H28 N4 O6 -","2","1","","Yu, Fu-Chao; Chen, Zhi-Qiong; Hao, Xiao-Pan; Yan, Sheng-Jiao; Huang, Rong; Lin, Jun","Regioselective synthesis of 9,10-dihydro-6H-chromeno[4,3-d]imidazo-[1,2-a]pyridin-6-one derivatives","RSC Advances","2014","4","12","6110","","10.1039/c3ra46428h","","","0.71073","MoKα","","0.0785","0.0446","","","0.1099","0.1234","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239427","10.361","0.002","11.572","0.003","11.8258","0.0015","101.396","0.015","90.972","0.013","104.51","0.02","1342.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N2 Te2 -","- C28 H34 N2 Te2 -","- C56 H68 N4 Te4 -","2","1","","Ahmad, Sohail; Yadav, Kumar Karitkey; Singh, Sarangthem Joychandra; Chauhan, S. M. S.","Synthesis of 5,10,15,20-meso-unsubstituted and 5,10,15,20-meso-substituted-21,23-ditellura/diselena core-modified porphyrinogens: oxidation and detection of mercury(ii)","RSC Adv.","2014","4","7","3171","","10.1039/C3RA46491A","","","0.71073","MoKα","","0.0848","0.0713","","","0.1865","0.2017","","","","","","0.656","","","","has coordinates","244700","2020-10-21","18:00:00",""
"7239428","10.4111","0.0003","11.3929","0.0004","19.3963","0.0006","90","","109.976","0.002","90","","2162.23","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N2 O S3 -","- C20 H23 N2 O S3 -","- C80 H92 N8 O4 S12 -","4","1","","Barakat, Assem; Al-Majid, Abdullah M.; AL-Najjar, Hany J.; Mabkhot, Yahia N.; Ghabbour, Hazem A.; Fun, Hoong-Kun","An efficient and green procedure for synthesis of rhodanine derivatives by aldol-thia-Michael protocol using aqueous diethylamine medium","RSC Advances","2014","4","10","4909","","10.1039/c3ra46551a","","","1.54178","CuKα","","0.051","0.0452","","","0.1215","0.1266","","","","","","1.024","","","","has coordinates,has disorder","244701","2020-10-21","18:00:00",""
"7239429","10.796","0.0003","13.0807","0.0004","14.6416","0.0004","90","","126.696","0.002","90","","1657.9","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O S2 -","- C14 H18 N2 O S2 -","- C56 H72 N8 O4 S8 -","4","1","","Barakat, Assem; Al-Majid, Abdullah M.; AL-Najjar, Hany J.; Mabkhot, Yahia N.; Ghabbour, Hazem A.; Fun, Hoong-Kun","An efficient and green procedure for synthesis of rhodanine derivatives by aldol-thia-Michael protocol using aqueous diethylamine medium","RSC Advances","2014","4","10","4909","","10.1039/c3ra46551a","","","1.54178","CuKα","","0.0715","0.0633","","","0.1992","0.2091","","","","","","1.103","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239430","7.3038","0.0002","13.642","0.0003","17.9671","0.0004","90","","99.589","0.002","90","","1765.2","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N2 O S2 -","- C16 H21 N2 O S2 -","- C64 H84 N8 O4 S8 -","4","1","","Barakat, Assem; Al-Majid, Abdullah M.; AL-Najjar, Hany J.; Mabkhot, Yahia N.; Ghabbour, Hazem A.; Fun, Hoong-Kun","An efficient and green procedure for synthesis of rhodanine derivatives by aldol-thia-Michael protocol using aqueous diethylamine medium","RSC Advances","2014","4","10","4909","","10.1039/c3ra46551a","","","1.54178","CuKα","","0.0527","0.045","","","0.1234","0.1294","","","","","","1.045","","","","has coordinates","244701","2020-10-21","18:00:00",""
"7239431","7.3389","0.0002","13.0121","0.0003","17.6769","0.0004","90","","100.169","0.002","90","","1661.53","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl N2 O S2 -","- C14 H16 Cl N2 O S2 -","- C56 H64 Cl4 N8 O4 S8 -","4","1","","Barakat, Assem; Al-Majid, Abdullah M.; AL-Najjar, Hany J.; Mabkhot, Yahia N.; Ghabbour, Hazem A.; Fun, Hoong-Kun","An efficient and green procedure for synthesis of rhodanine derivatives by aldol-thia-Michael protocol using aqueous diethylamine medium","RSC Advances","2014","4","10","4909","","10.1039/c3ra46551a","","","1.54178","CuKα","","0.0518","0.0451","","","0.1341","0.1395","","","","","","1.078","","","","has coordinates","244701","2020-10-21","18:00:00",""
"7239432","5.6181","0.0004","21.232","0.0019","10.8628","0.0009","90","","98.103","0.002","90","","1282.82","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","2","","Van Rossom, Wim; Matsushita, Yoshitaka; Ariga, Katsuhiko; Hill, Jonathan P.","New synthesis of unsymmetrically-substituted 2,5-diarylpyrroles from homopropargyl sulfonamides","RSC Advances","2014","4","10","4897","","10.1039/c3ra46579a","","","0.71073","MoKα","","0.0579","0.0414","","","0.1013","0.1152","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239433","10.3197","0.0009","10.5653","0.0009","10.8549","0.0009","117.738","0.009","104.82","0.007","102.452","0.007","932","0.2","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 N2 O2 S2 -","- C8 H8 N2 O2 S2 -","- C32 H32 N8 O8 S8 -","4","2","","Luo, Laichun; Meng, Lanlan; Sun, Qi; Ge, Zemei; Li, Runtao","Novel synthesis of thiazolo/thienoazepine-5,8-diones from dihalo cyclic 1,3-diketones and mercaptonitrile salts","RSC Adv.","2014","4","13","6845","","10.1039/C3RA46606J","","","0.7107","MoKα","","0.0785","0.0506","","","0.0941","0.1109","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239434","12.6748","0.0017","12.7588","0.0008","19.564","0.003","72.332","0.01","72.079","0.013","78.863","0.008","2850.9","0.7","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H82 Mo6 N4 O19 S -","- C40.997 H82 Mo6 N4 O19 S -","- C81.994 H164 Mo12 N8 O38 S2 -","2","1","","Nasim Khan, Rao Naumaan; Mahmood, Nasir; Lv, Chunlin; Sima, Guohui; Zhang, Jin; Hao, Jian; Hou, Yanglong; Wei, Yongge","Pristine organo-imido polyoxometalates as an anode for lithium ion batteries","RSC Advances","2014","4","15","7374","","10.1039/c3ra46645k","","","0.71073","MoKα","","0.0748","0.0583","","","0.1087","0.1163","","","","","","1.154","","","","has coordinates,has disorder","244704","2020-10-21","18:00:00",""
"7239435","22.2423","0.0005","9.3087","0.0002","22.52","0.0006","90","","103.449","0.002","90","","4534.83","0.19","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C95 H74 Cl15 N3 O3 -","- C95 H74 Cl15 N3 O3 -","- C190 H148 Cl30 N6 O6 -","2","1","","Yamakado, Ryohei; Matsuoka, Shin-ichi; Suzuki, Masato; Takeuchi, Daisuke; Masu, Hyuma; Azumaya, Isao; Takagi, Koji","Synthesis, reaction, and optical properties of cyclic oligomers bearing 9,10-diphenylanthracene based on an aromatic tertiary amide unit","RSC Advances","2014","4","13","6752","","10.1039/c3ra46652c","","","1.54178","CuKα","","0.1008","0.0856","","","0.2403","0.264","","","","","","1.029","","","","has coordinates,has disorder","244705","2020-10-21","18:00:00",""
"7239436","10.5211","0.0002","13.4415","0.0003","21.8375","0.0004","92.447","0.001","96.522","0.001","111.433","0.001","2844.21","0.1","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C126 H98 Cl18 N4 O4 -","- C126 H98 Cl18 N4 O4 -","- C126 H98 Cl18 N4 O4 -","1","0.5","","Yamakado, Ryohei; Matsuoka, Shin-ichi; Suzuki, Masato; Takeuchi, Daisuke; Masu, Hyuma; Azumaya, Isao; Takagi, Koji","Synthesis, reaction, and optical properties of cyclic oligomers bearing 9,10-diphenylanthracene based on an aromatic tertiary amide unit","RSC Advances","2014","4","13","6752","","10.1039/c3ra46652c","","","1.54178","CuKα","","0.1174","0.0905","","","0.2627","0.2948","","","","","","1.039","","","","has coordinates,has disorder","301866","2025-08-22","21:38:36",""
"7239437","11.9742","0.0004","13.6564","0.0005","24.0532","0.0009","89.32","0.003","79.331","0.003","84.985","0.003","3850.5","0.2","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H72 Br12 O12 -","- C66 H72 Br12 O12 -","- C132 H144 Br24 O24 -","2","1","","Yao, Yong; Li, Jinying; Dai, Jing; Chi, Xiaodong; Xue, Min","A water-soluble pillar[6]arene: synthesis, host–guest chemistry, controllable self-assembly, and application in controlled release","RSC Advances","2014","4","18","9039","","10.1039/c3ra46681g","","","0.71073","MoKα","","0.0789","0.0455","","","0.0995","0.1094","","","","","","0.993","","","","has coordinates,has disorder","301866","2025-08-22","21:38:36",""
"7239438","10.3914","0.0012","11.2801","0.0014","10.7843","0.0013","90","","107.418","0.004","90","","1206.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Br N O -","- C13 H14 Br N O -","- C52 H56 Br4 N4 O4 -","4","1","","Pathak, Sudipta; Kundu, Ashis; Pramanik, Animesh","Monobromomalononitrile: an efficient regioselective mono brominating agent towards active methylene compounds and enamines under mild conditions","RSC Adv.","2014","4","20","10180","","10.1039/C3RA46687F","","","0.71073","MoKα","","0.0961","0.0428","","","0.0996","0.1185","","","","","","0.987","","","","has coordinates","244707","2020-10-21","18:00:00",""
"7239439","9.9209","0.0013","9.2391","0.0013","22.868","0.003","90","","90","","90","","2096.1","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H Br N O2 -","- C10 H10 Br N O2 -","- C80 H80 Br8 N8 O16 -","8","1","","Pathak, Sudipta; Kundu, Ashis; Pramanik, Animesh","Monobromomalononitrile: an efficient regioselective mono brominating agent towards active methylene compounds and enamines under mild conditions","RSC Adv.","2014","4","20","10180","","10.1039/C3RA46687F","","","0.71073","MoKα","","0.0762","0.0466","","","0.1321","0.1631","","","","","","0.88","","","","has coordinates","244707","2020-10-21","18:00:00",""
"7239440","8.1495","0.0016","12.326","0.002","13.247","0.003","63.004","0.003","76.91","0.002","85.28","0.003","1154.5","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Cl N3 Ni2 O8 -","- C20 H28 Cl N3 Ni2 O8 -","- C40 H56 Cl2 N6 Ni4 O16 -","2","1","","Zhou, Hong; Chen, Xiao Hong; Sun, Wen Wu; Mei, Yu; Pan, Zhi Quan","A unique coordination polymer with tetranuclear nickel(ii) units linked by macrocyclic ligands","RSC Advances","2014","4","10","5080","","10.1039/c3ra46750c","","","0.71073","MoKα","","0.0811","0.055","","","0.1084","0.1127","","","","","","1.017","","","","has coordinates","244708","2020-10-21","18:00:00",""
"7239441","5.2159","0.0003","12.5664","0.0017","17.7605","0.0019","71.456","0.011","87.369","0.007","78.324","0.008","1080.6","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N4 S7 -","- C18 H14 N4 S7 -","- C36 H28 N8 S14 -","2","1","","Amacher, Anneliese; Luo, Hewei; Liu, Zitong; Bircher, Martin; Cascella, Michele; Hauser, Jürg; Decurtins, Silvio; Zhang, Deqing; Liu, Shi-Xia","Electronic tuning effects via cyano substitution of a fused tetrathiafulvalene–benzothiadiazole dyad for ambipolar transport properties","RSC Adv.","2014","4","6","2873","","10.1039/C3RA46784H","","","0.71073","MoKα","","0.0819","0.0718","","","0.2129","0.2173","","","","","","1.237","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239442","10.9246","0.001","7.0228","0.0006","14.1338","0.0012","90","","90.645","0.006","90","","1084.29","0.16","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","","Khatun, Nilufa; Guin, Srimanta; Rout, Saroj Kumar; Patel, Bhisma K.","Divergent reactivities of o-haloanilides with CuO nanoparticles in water: a green synthesis of benzoxazoles and o-hydroxyanilides","RSC Advances","2014","4","21","10770","","10.1039/c3ra46820h","","","0.71073","MoKα","","0.1433","0.0789","","","0.2155","0.2512","","","","","","1.174","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239443","10.3512","0.0008","14.0265","0.0011","12.8571","0.001","90","","105.177","0.005","90","","1801.6","0.2","298","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H10 Br N O -","- C14 H10 Br N O -","- C84 H60 Br6 N6 O6 -","6","3","","Khatun, Nilufa; Guin, Srimanta; Rout, Saroj Kumar; Patel, Bhisma K.","Divergent reactivities of o-haloanilides with CuO nanoparticles in water: a green synthesis of benzoxazoles and o-hydroxyanilides","RSC Advances","2014","4","21","10770","","10.1039/c3ra46820h","","","0.71073","MoKα","","0.1695","0.0552","","","0.1374","0.1897","","","","","","0.89","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239444","17.2079","0.0007","11.4667","0.0005","18.6877","0.0008","90","","105.196","0.004","90","","3558.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(5-methyl-4-benzoyl-2-p-tolyl-2,4-dihydro-pyrazol-3-one)V(IV) acetonitrile solvate","","- C38 H35 N5 O6 V -","- C38 H35 N5 O6 V -","- C152 H140 N20 O24 V4 -","4","1","","Parihar, Sanjay; Jadeja, R. N.; Gupta, Vivek K.","Novel oxovanadium(iv) complexes with 4-acyl pyrazolone ligands: synthesis, crystal structure and catalytic activity towards the oxidation of benzylic alcohols","RSC Advances","2014","4","20","10295","","10.1039/c3ra46896h","","","0.71073","MoKα","","0.0884","0.0522","","","0.1164","0.138","","","","","","1.022","","","","has coordinates,has disorder","244711","2020-10-21","18:00:00",""
"7239445","10.4234","0.0002","10.5165","0.0002","39.4004","0.0006","90","","90","","90","","4318.98","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C37 H61 N7 O9 S -","- C37 H61 N7 O9 S -","- C148 H244 N28 O36 S4 -","4","1","","Roy, Arup; Kotmale, Amol S.; Gawade, Rupesh L.; Puranik, Vedavati G.; Rajamohanan, P. R.; Sanjayan, Gangadhar J.","Probing the folding induction ability of orthanilic acid in peptides: some observations","RSC Advances","2014","4","25","13018","","10.1039/c3ra47039c","","","0.71073","MoKα","","0.0448","0.0399","","","0.0921","0.0944","","","","","","1.127","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239446","19.8409","0.0008","13.5269","0.0005","17.6393","0.0007","90","","108.393","0.001","90","","4492.3","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H27 Ag3 F18 Fe2 N6 O2 -","- C39 H27 Ag3 F18 Fe2 N6 O2 -","- C156 H108 Ag12 F72 Fe8 N24 O8 -","4","0.5","","Titov, Alexey A.; Filippov, Oleg A.; Guseva, Ekaterina A.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Epstein, Lina M.; Belsky, Vitaly K.; Shubina, Elena S.","Role of basic sites of substituted ferrocenes in interaction with the trinuclear 3,5-bis(trifluoromethyl)pyrazolates: thermodynamics and structure of complexes","RSC Advances","2014","4","16","8350","","10.1039/c3ra47040g","","","0.71073","MoKα","","0.0423","0.0291","","","0.0619","0.0672","","","","","","1.021","","","","has coordinates","244713","2020-10-21","18:00:00",""
"7239447","14.939","0.0005","24.6385","0.0008","10.4127","0.0003","90","","90","","90","","3832.6","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H19 Ag3 F18 Fe N6 O -","- C33 H19 Ag3 F18 Fe N6 O -","- C132 H76 Ag12 F72 Fe4 N24 O4 -","4","1","","Titov, Alexey A.; Filippov, Oleg A.; Guseva, Ekaterina A.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Epstein, Lina M.; Belsky, Vitaly K.; Shubina, Elena S.","Role of basic sites of substituted ferrocenes in interaction with the trinuclear 3,5-bis(trifluoromethyl)pyrazolates: thermodynamics and structure of complexes","RSC Advances","2014","4","16","8350","","10.1039/c3ra47040g","","","0.71073","MoKα","","0.0442","0.0318","","","0.0524","0.0567","","","","","","1.003","","","","has coordinates","244713","2020-10-21","18:00:00",""
"7239448","11.592","0.0011","16.9249","0.0016","44.395","0.004","90","","90","","90","","8710","1.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H27 Cu3 F18 Fe2 N6 O2 -","- C39 H27 Cu3 F18 Fe2 N6 O2 -","- C312 H216 Cu24 F144 Fe16 N48 O16 -","8","1","","Titov, Alexey A.; Filippov, Oleg A.; Guseva, Ekaterina A.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Epstein, Lina M.; Belsky, Vitaly K.; Shubina, Elena S.","Role of basic sites of substituted ferrocenes in interaction with the trinuclear 3,5-bis(trifluoromethyl)pyrazolates: thermodynamics and structure of complexes","RSC Advances","2014","4","16","8350","","10.1039/c3ra47040g","","","0.71073","MoKα","","0.0837","0.0493","","","0.0977","0.1103","","","","","","1.052","","","","has coordinates,has disorder","244713","2020-10-21","18:00:00",""
"7239449","11.818","0.006","10.447","0.005","19.261","0.01","90","","96.456","0.012","90","","2363","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 F N2 -","- C31 H23 F N2 -","- C124 H92 F4 N8 -","4","1","","Zhang, Cheng; Zhang, Lan-Xi; Qiu, Yang; Xu, Biao; Zong, Yu; Guo, Qi-Xiang","Highly efficient [3 + 2] reaction of 3-vinylindoles with 3-indolylmethanols by Brønsted-acid catalysis","RSC Advances","2014","4","14","6916","","10.1039/c3ra47056c","","","0.71073","MoKα","","0.0973","0.0542","","","0.1585","0.1832","","","","","","0.975","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239450","36.051","0.004","7.2062","0.0008","18.3332","0.0019","90","","110.194","0.004","90","","4470","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N O6 -","- C26 H23 N O6 -","- C208 H184 N8 O48 -","8","1","","Gayen, Krishnanka S.; Maiti, Dilip K.","AuCl3 catalyzed [3 + 2 + 1] cycloaddition: first use of aldehyde as a carbon monoxide-like one carbon synthon for triple C–C coupling","RSC Advances","2014","4","20","10204","","10.1039/c3ra47093h","","","0.71073","MoKα","","0.0813","0.0517","","","0.1544","0.1871","","","","","","0.872","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239451","4.4486","0.0001","25.8691","0.0006","7.4266","0.0002","90","","95.867","0.001","90","","850.19","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C36 H40 N8 O8 -","4","1","","Wang, Junfeng; Pang, Yi","A Simple Sensitive ESIPT On-Off Fluorescent Sensor for Selective Detection of Al<sup>3+</sup> in Water.","RSC advances","2013","4","12","5845","5848","10.1039/C3RA47104G","","","0.71073","MoKα","","0.0411","0.0345","","","0.0892","0.0941","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239452","24.7714","0.0011","17.0229","0.0007","7.5234","0.0003","90","","90","","90","","3172.5","0.2","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H15 Au Cl P -","- C18 H15 Au Cl P -","- C144 H120 Au8 Cl8 P8 -","8","1","","Moussa, J.; Chamoreau, L. M.; Amouri, H.","Gold(i) complexes with a phosphinine ligand: synthesis and structural characterization","RSC Advances","2014","4","23","11539","","10.1039/c3ra47132b","","","0.71073","MoKα","","0.0191","0.0141","","","0.0297","0.0317","","","","","","0.906","","","","has coordinates","244717","2020-10-21","18:00:00",""
"7239453","8.7519","0.0005","12.829","0.0007","13.3912","0.0007","77.795","0.001","89.433","0.001","71.039","0.001","1387","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H48 Cu2 N8 O12 -","- C60 H48 Cu2 N8 O12 -","- C60 H48 Cu2 N8 O12 -","1","0.5","","Wang, Hui; Safarifard, Vahid; Wang, Si-Yao; Tu, Ling-Hui; Xiao, Hong-Ping; Huang, Bi-Feng; Li, Xin-Hua; Payehghadr, Mahmood; Morsali, Ali","Five copper(ii) metal–organic coordination complexes with micro-channels based on flexible bis(imidazole) and carboxybenzaldehyde ligands; structural influence of experimental conditions on their frameworks","RSC Advances","2014","4","22","11423","","10.1039/c3ra47177b","","","0.71073","MoKα","","0.0649","0.0491","","","0.1611","0.1992","","","","","","1.084","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239454","15.1098","0.0019","9.1791","0.0011","23.866","0.003","90","","101.424","0.003","90","","3244.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 Cu N4 O10 -","- C31 H34 Cu N4 O10 -","- C124 H136 Cu4 N16 O40 -","4","1","","Wang, Hui; Safarifard, Vahid; Wang, Si-Yao; Tu, Ling-Hui; Xiao, Hong-Ping; Huang, Bi-Feng; Li, Xin-Hua; Payehghadr, Mahmood; Morsali, Ali","Five copper(ii) metal‒organic coordination complexes with micro-channels based on flexible bis(imidazole) and carboxybenzaldehyde ligands; structural influence of experimental conditions on their frameworks","RSC Advances","2014","4","22","11423","","10.1039/c3ra47177b","","","0.71073","MoKα","","0.0759","0.0518","","","0.1543","0.1771","","","","","","1.054","","","","has coordinates","244718","2020-10-21","18:00:00",""
"7239455","10.7315","0.0009","10.9239","0.0009","12.9081","0.0018","104.097","0.003","104.031","0.003","104.282","0.002","1346.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Cu N4 O7 -","- C30 H26 Cu N4 O7 -","- C60 H52 Cu2 N8 O14 -","2","1","","Wang, Hui; Safarifard, Vahid; Wang, Si-Yao; Tu, Ling-Hui; Xiao, Hong-Ping; Huang, Bi-Feng; Li, Xin-Hua; Payehghadr, Mahmood; Morsali, Ali","Five copper(ii) metal‒organic coordination complexes with micro-channels based on flexible bis(imidazole) and carboxybenzaldehyde ligands; structural influence of experimental conditions on their frameworks","RSC Advances","2014","4","22","11423","","10.1039/c3ra47177b","","","0.71073","MoKα","","0.0963","0.0664","","","0.197","0.2296","","","","","","1.064","","","","has coordinates","244718","2020-10-21","18:00:00",""
"7239456","12.1079","0.0008","12.6464","0.0008","15.5101","0.001","81.14","0.002","67.91","0.002","62.625","0.001","1953.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H72 Cu5 N10 O32 -","- C76 H72 Cu5 N10 O32 -","- C76 H72 Cu5 N10 O32 -","1","0.5","","Wang, Hui; Safarifard, Vahid; Wang, Si-Yao; Tu, Ling-Hui; Xiao, Hong-Ping; Huang, Bi-Feng; Li, Xin-Hua; Payehghadr, Mahmood; Morsali, Ali","Five copper(ii) metal–organic coordination complexes with micro-channels based on flexible bis(imidazole) and carboxybenzaldehyde ligands; structural influence of experimental conditions on their frameworks","RSC Advances","2014","4","22","11423","","10.1039/c3ra47177b","","","0.71073","MoKα","","0.0743","0.0571","","","0.1844","0.2433","","","","","","1.087","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239457","7.832","0.004","8.407","0.005","10.143","0.006","84.772","0.008","83.075","0.007","80.351","0.007","651.9","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Cu N4 O6 -","- C30 H24 Cu N4 O6 -","- C30 H24 Cu N4 O6 -","1","0.5","","Wang, Hui; Safarifard, Vahid; Wang, Si-Yao; Tu, Ling-Hui; Xiao, Hong-Ping; Huang, Bi-Feng; Li, Xin-Hua; Payehghadr, Mahmood; Morsali, Ali","Five copper(ii) metal‒organic coordination complexes with micro-channels based on flexible bis(imidazole) and carboxybenzaldehyde ligands; structural influence of experimental conditions on their frameworks","RSC Advances","2014","4","22","11423","","10.1039/c3ra47177b","","","0.71073","MoKα","","0.0454","0.0389","","","0.127","0.1561","","","","","","1.095","","","","has coordinates","244718","2020-10-21","18:00:00",""
"7239458","8.358","0.002","6.1406","0.0018","16.069","0.004","90","","93.667","0.015","90","","823","0.4","250","2","250","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N3 O2 -","- C20 H17 N3 O2 -","- C40 H34 N6 O4 -","2","1","","Goel, Richa; Luxami, Vijay; Paul, Kamaldeep","Palladium catalyzed novel monoarylation and symmetrical/unsymmetrical diarylation of imidazo[1,2-a]pyrazines and their in vitro anticancer activities","RSC Advances","2014","4","19","9885","","10.1039/c3ra47192f","","","0.71073","MoKα","","0.1247","0.0543","","","0.0691","0.0828","","","","","","1.143","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239459","5.5494","0.0004","11.2136","0.0008","12.5273","0.001","96.086","0.003","98.854","0.004","98.261","0.003","755.7","0.1","270","2","270","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H12 Cl N3 O -","- C19 H12 Cl N3 O -","- C38 H24 Cl2 N6 O2 -","2","1","","Goel, Richa; Luxami, Vijay; Paul, Kamaldeep","Palladium catalyzed novel monoarylation and symmetrical/unsymmetrical diarylation of imidazo[1,2-a]pyrazines and their in vitro anticancer activities","RSC Advances","2014","4","19","9885","","10.1039/c3ra47192f","","","0.71073","MoKα","","0.0753","0.0454","","","0.1006","0.1122","","","","","","1.146","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239460","7.673","0.005","18.385","0.011","17.392","0.011","90","","92.942","0.007","90","","2450","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 F3 N3 O3 -","- C27 H28 F3 N3 O3 -","- C108 H112 F12 N12 O12 -","4","1","","Qiang, Dong zhi; Shi, Jing Bo; Song, Bao An; Liu, Xin Hua","Novel 2H-chromen derivatives: design, synthesis and anticancer activity","RSC Advances","2014","4","11","5607","","10.1039/c3ra47252c","","","0.71073","MoKα","","0.2482","0.1055","","","0.2152","0.2792","","","","","","1.039","","","","has coordinates","244720","2020-10-21","18:00:00",""
"7239461","7.5167","0.0011","11.28","0.003","8.1382","0.0016","90","","108.043","0.015","90","","656.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H Cl N2 S2 -","- C4 H Cl N2 S2 -","- C16 H4 Cl4 N8 S8 -","4","1","","Kalogirou, Andreas S.; Christoforou, Irene C.; Ioannidou, Heraklidia A.; Manos, Manolis J.; Koutentis, Panayiotis A.","Ring transformation of (4-chloro-5H-1,2,3-dithiazol-5-ylidene)acetonitriles to 3-haloisothiazole-5-carbonitriles","RSC Adv.","2014","4","15","7735","","10.1039/C3RA47261B","","","0.71073","MoKα","","0.0603","0.0527","","","0.1521","0.1555","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239462","8.1226","0.0008","6.7318","0.0007","13.5987","0.0011","90","","90","","90","","743.57","0.12","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 Br Cl N2 S2 -","- C4 Br Cl N2 S2 -","- C16 Br4 Cl4 N8 S8 -","4","0.5","","Kalogirou, Andreas S.; Christoforou, Irene C.; Ioannidou, Heraklidia A.; Manos, Manolis J.; Koutentis, Panayiotis A.","Ring transformation of (4-chloro-5H-1,2,3-dithiazol-5-ylidene)acetonitriles to 3-haloisothiazole-5-carbonitriles","RSC Adv.","2014","4","15","7735","","10.1039/C3RA47261B","","","0.71073","MoKα","","0.0339","0.0274","","","0.0703","0.0715","","","","","","0.95","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239463","11.8655","0.0002","6.3477","0.0001","14.6161","0.0002","90","","97.031","0.001","90","","1092.59","0.03","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H37 N O2 -","- C25 H37 N O2 -","- C50 H74 N2 O4 -","2","1","","Jiao, Wei-Hua; Xu, Ting-Ting; Yu, Hao-Bing; Mu, Feng-Rong; Li, Jia; Li, Yu-Shan; Yang, Fan; Han, Bing-Nan; Lin, Hou-Wen","Dysidaminones A–M, cytotoxic and NF-κB inhibitory sesquiterpene aminoquinones from the South China Sea sponge Dysidea fragilis","RSC Adv.","2014","4","18","9236","","10.1039/C3RA47265E","","","1.54178","CuKα","","0.0427","0.0408","","","0.1195","0.1225","","","","","","0.992","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239464","11.957","0.0004","12.5129","0.0004","15.4458","0.0004","90","","90","","90","","2310.95","0.12","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H39 N O2 -","- C26 H39 N O2 -","- C104 H156 N4 O8 -","4","1","","Jiao, Wei-Hua; Xu, Ting-Ting; Yu, Hao-Bing; Mu, Feng-Rong; Li, Jia; Li, Yu-Shan; Yang, Fan; Han, Bing-Nan; Lin, Hou-Wen","Dysidaminones A–M, cytotoxic and NF-κB inhibitory sesquiterpene aminoquinones from the South China Sea sponge Dysidea fragilis","RSC Adv.","2014","4","18","9236","","10.1039/C3RA47265E","","","1.54178","CuKα","","0.0546","0.054","","","0.1856","0.1877","","","","","","1.095","","","","has coordinates,has disorder","301866","2025-08-22","21:38:36",""
"7239465","7.2191","0.0014","7.6075","0.0015","35.255","0.007","90","","90","","90","","1936.2","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N O2 -","- C22 H31 N O2 -","- C88 H124 N4 O8 -","4","1","","Jiao, Wei-Hua; Xu, Ting-Ting; Yu, Hao-Bing; Mu, Feng-Rong; Li, Jia; Li, Yu-Shan; Yang, Fan; Han, Bing-Nan; Lin, Hou-Wen","Dysidaminones A–M, cytotoxic and NF-κB inhibitory sesquiterpene aminoquinones from the South China Sea sponge Dysidea fragilis","RSC Adv.","2014","4","18","9236","","10.1039/C3RA47265E","","","1.54178","CuKα","","0.064","0.05","","","0.1203","0.1299","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239466","14.9819","0.0015","7.9992","0.0007","11.2134","0.001","90","","101.48","0.002","90","","1317","0.2","56","2","56","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H7 F5 N2 O -","- C15 H7 F5 N2 O -","- C60 H28 F20 N8 O4 -","4","1","","Hong, Tao; Song, Heli; Li, Xin; Zhang, Weibing; Xie, Yongshu","Syntheses of mono- and diacylated bipyrroles with rich substitution modes and development of a prodigiosin derivative as a fluorescent Zn(ii) probe","RSC Advances","2014","4","12","6133","","10.1039/c3ra47277a","","","0.71073","MoKα","","0.0689","0.0397","","","0.1125","0.1446","","","","","","1.072","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239467","11.9337","0.0008","9.6006","0.0006","17.6397","0.0013","90","","94.108","0.001","90","","2015.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H6 F10 N2 O2 -","- C22 H6 F10 N2 O2 -","- C88 H24 F40 N8 O8 -","4","1","","Hong, Tao; Song, Heli; Li, Xin; Zhang, Weibing; Xie, Yongshu","Syntheses of mono- and diacylated bipyrroles with rich substitution modes and development of a prodigiosin derivative as a fluorescent Zn(ii) probe","RSC Advances","2014","4","12","6133","","10.1039/c3ra47277a","","","0.71073","MoKα","","0.0969","0.047","","","0.0842","0.1087","","","","","","1.061","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239468","12.3922","0.0011","9.0079","0.001","20.4967","0.0015","90","","92.244","0.001","90","","2286.2","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H9 F10 N3 O -","- C26 H9 F10 N3 O -","- C104 H36 F40 N12 O4 -","4","1","","Hong, Tao; Song, Heli; Li, Xin; Zhang, Weibing; Xie, Yongshu","Syntheses of mono- and diacylated bipyrroles with rich substitution modes and development of a prodigiosin derivative as a fluorescent Zn(ii) probe","RSC Advances","2014","4","12","6133","","10.1039/c3ra47277a","","","0.71073","MoKα","","0.1207","0.0512","","","0.0864","0.1211","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239469","5.275","0.0004","8.7923","0.0007","9.3895","0.0007","74.675","0.002","81.562","0.002","76.634","0.002","406.91","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H26 Ni O6 -","- C14 H26 Ni O6 -","- C14 H26 Ni O6 -","1","0.5","","Zhang, Qi-Long; Feng, Guang-Wei; Zhang, Yun-Qian; Zhu, Bi-Xue","Syntheses, structures, and luminescence properties of anion-controlled heterometal modular coordination polymers based on a metalloligand","RSC Advances","2014","4","22","11384","","10.1039/c3ra47303a","","","0.71073","MoKα","","0.0233","0.0233","","","0.09","0.0901","","","","","","0.888","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239470","15.0637","0.0012","15.0637","0.0012","10.8379","0.0012","90","","90","","90","","2459.3","0.4","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C15 H21 Ag3 N2 Ni O13 -","- C15 H21 Ag3 N2 Ni O13 -","- C60 H84 Ag12 N8 Ni4 O52 -","4","1","","Zhang, Qi-Long; Feng, Guang-Wei; Zhang, Yun-Qian; Zhu, Bi-Xue","Syntheses, structures, and luminescence properties of anion-controlled heterometal modular coordination polymers based on a metalloligand","RSC Advances","2014","4","22","11384","","10.1039/c3ra47303a","","","0.71073","MoKα","","0.058","0.0385","","","0.0768","0.0841","","","","","","0.988","","","","has coordinates","244724","2020-10-21","18:00:00",""
"7239471","10.255","0.0017","12.84","0.002","12.682","0.002","90","","107.119","0.005","90","","1595.9","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H33 Ag3 Cl2 Ni O16 -","- C19 H33 Ag3 Cl2 Ni O16 -","- C38 H66 Ag6 Cl4 Ni2 O32 -","2","1","","Zhang, Qi-Long; Feng, Guang-Wei; Zhang, Yun-Qian; Zhu, Bi-Xue","Syntheses, structures, and luminescence properties of anion-controlled heterometal modular coordination polymers based on a metalloligand","RSC Advances","2014","4","22","11384","","10.1039/c3ra47303a","","","0.71073","MoKα","","0.0645","0.0404","","","0.0875","0.0968","","","","","","0.961","","","","has coordinates,has disorder","244724","2020-10-21","18:00:00",""
"7239472","10.5956","0.0008","9.9517","0.0007","11.3334","0.0008","90","","93.328","0.002","90","","1193.03","0.15","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Ag2 F6 Ni O12 S2 -","- C12 H14 Ag2 F6 Ni O12 S2 -","- C24 H28 Ag4 F12 Ni2 O24 S4 -","2","0.5","","Zhang, Qi-Long; Feng, Guang-Wei; Zhang, Yun-Qian; Zhu, Bi-Xue","Syntheses, structures, and luminescence properties of anion-controlled heterometal modular coordination polymers based on a metalloligand","RSC Advances","2014","4","22","11384","","10.1039/c3ra47303a","","","0.71073","MoKα","","0.03","0.0295","","","0.0751","0.0754","","","","","","1.151","","","","has coordinates","244724","2020-10-21","18:00:00",""
"7239473","11.9964","0.0008","15.825","0.0011","21.4986","0.0015","90","","91.78","0.001","90","","4079.4","0.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H29 Cl2 Cu N5 O4 -","- C15 H29 Cl2 Cu N5 O4 -","- C120 H232 Cl16 Cu8 N40 O32 -","8","2","","Betts, Helen M.; Pascu, Sofia I.; Buchard, Antoine; Bonnitcha, Paul D.; Dilworth, Jonathan R.","One-pot synthesis, characterisation and kinetic stability of novel side-bridged pentaazamacrocyclic copper(ii) complexes","RSC Advances","2014","4","25","12964","","10.1039/c3ra47450j","","","0.6709","synchrotron","","0.0902","0.0437","","0.0762","0.0497","0.0497","","","","","","1.1331","","","","has coordinates","244725","2020-10-21","18:00:00",""
"7239474","7.3468","0.0013","19.924","0.004","13.152","0.002","90","","100.454","0.002","90","","1893.2","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","8,20-Dithia-10,18-diamina-16,96,196-trimethyl-12,14-dioxo-1(1,3),9(2,4),19(4,2)-tripyrimidinacyclohexacosaphane","8,20-Dithia-10,18-diamina-16,96,196-trimethyl-12,14-dioxo-1(1,3),9(2,4),19(4,2)-tripyrimidinacyclohexacosaphane","","- C34 H52 N8 O2 S2 -","- C34 H52 N8 O2 S2 -","- C68 H104 N16 O4 S4 -","2","1","","Podyachev, Sergey N.; Semenov, Vyacheslav E.; Syakaev, Victor V.; Kashapova, Nadezda E.; Sudakova, Svetlana N.; Voronina, Julia K.; Mikhailov, Anatoly S.; Voloshina, Alexandra D.; Reznik, Vladimir S.; Konovalov, Alexander I.","Metal binding properties of pyrimidinophanes and their acyclic counterparts","RSC Advances","2014","4","20","10228","","10.1039/c3ra47571a","","","0.71073","MoKα","","0.1772","0.0705","","","0.1831","0.2279","","","","","","0.812","","","","has coordinates,has disorder","244726","2020-10-21","18:00:00",""
"7239475","10.1191","0.0006","9.9999","0.0007","30.776","0.0014","90","","96.077","0.005","90","","3096.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 N2 O2 S -","- C35 H32 N2 O2 S -","- C140 H128 N8 O8 S4 -","4","1","","Zhong, Mei-Jin; Zhu, Hai-Tao; Gao, Pin; Qiu, Yi-Feng; Liang, Yong-Min","Synthesis of (E)-3-styryl-2,5-dihydro-1H-pyrrole derivatives via Pd-catalyzed addition of indoles to hydroxy 1,6-enynes","RSC Advances","2014","4","17","8914","","10.1039/c3ra47647b","","","0.71073","MoKα","","0.1936","0.1021","","","0.2845","0.3641","","","","","","0.984","","","","has coordinates","244727","2020-10-21","18:00:00",""
"7239476","10.1191","0.0006","9.9999","0.0007","30.776","0.0014","90","","96.077","0.005","90","","3096.7","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 N2 O2 S -","- C35 H32 N2 O2 S -","- C140 H128 N8 O8 S4 -","4","1","","Zhong, Mei-Jin; Zhu, Hai-Tao; Gao, Pin; Qiu, Yi-Feng; Liang, Yong-Min","Synthesis of (E)-3-styryl-2,5-dihydro-1H-pyrrole derivatives via Pd-catalyzed addition of indoles to hydroxy 1,6-enynes","RSC Advances","2014","4","17","8914","","10.1039/c3ra47647b","","","0.7107","MoKα","","0.1936","0.1021","","","0.2845","0.3641","","","","","","0.984","","","","has coordinates","244727","2020-10-21","18:00:00",""
"7239477","16.8594","0.0013","16.8594","0.0012","16.8594","0.0013","90","","90","","90","","4792.1","0.6","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5 Cd3 La N6 O13 -","- C15 H4.98 Cd3 La N6 O13 -","- C120 H39.84 Cd24 La8 N48 O104 -","8","0.333333","","Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian","Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate","RSC Advances","2014","4","15","7818","","10.1039/c3ra47686c","","","0.71073","MoKα","","0.07","0.0402","","","0.086","0.1031","","","","","","1.001","","","","has coordinates","244728","2020-10-21","18:00:00",""
"7239478","16.8075","0.0004","16.8075","0.0004","16.8075","0.0004","90","","90","","90","","4748","0.2","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5 Cd3 N6 O13 Pr -","- C15 H4.98 Cd3 N6 O13 Pr -","- C120 H39.84 Cd24 N48 O104 Pr8 -","8","0.333333","","Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian","Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate","RSC Advances","2014","4","15","7818","","10.1039/c3ra47686c","","","0.71073","MoKα","","0.0623","0.0359","","","0.059","0.0648","","","","","","1","","","","has coordinates","244728","2020-10-21","18:00:00",""
"7239479","16.7718","0.0001","16.7718","0.0001","16.7718","0.0001","90","","90","","90","","4717.79","0.05","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5 Cd3 N6 Nd O13 -","- C15 H4.98 Cd3 N6 Nd O13 -","- C120 H39.84 Cd24 N48 Nd8 O104 -","8","0.333333","","Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian","Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate","RSC Advances","2014","4","15","7818","","10.1039/c3ra47686c","","","0.71073","MoKα","","0.0553","0.0391","","","0.0765","0.0815","","","","","","1.004","","","","has coordinates","244728","2020-10-21","18:00:00",""
"7239480","16.7466","0.0002","16.7466","0.0002","16.7466","0.0002","90","","90","","90","","4696.56","0.1","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5 Cd3 N6 O13 Sm -","- C15 H4.98 Cd3 N6 O13 Sm -","- C120 H39.84 Cd24 N48 O104 Sm8 -","8","0.333333","","Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian","Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate","RSC Advances","2014","4","15","7818","","10.1039/c3ra47686c","","","0.71073","MoKα","","0.057","0.0392","","","0.0534","0.056","","","","","","0.991","","","","has coordinates","244728","2020-10-21","18:00:00",""
"7239481","16.736","0.0002","16.736","0.0002","16.736","0.0002","90","","90","","90","","4687.65","0.1","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5 Cd3 Eu N6 O13 -","- C15 H4.98 Cd3 Eu N6 O13 -","- C120 H39.84 Cd24 Eu8 N48 O104 -","8","0.333333","","Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian","Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate","RSC Advances","2014","4","15","7818","","10.1039/c3ra47686c","","","0.71073","MoKα","","0.0344","0.0243","","","0.0497","0.0518","","","","","","1.004","","","","has coordinates","244728","2020-10-21","18:00:00",""
"7239482","15.4","0.005","15.405","0.005","17.403","0.005","90","","90","","90","","4129","2","113","","113","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C42 H53 N3 O2 S4 -","- C42 H44 N3 O2 S4 -","- C168 H176 N12 O8 S16 -","4","0.5","","Katagiri, Hiroshi; Tanaka, Shinya; Ohkubo, Kazuya; Akahira, Yuki; Morohashi, Naoya; Iki, Nobukiho; Hattori, Tetsutaro; Miyano, Sotaro","Regioselective synthesis of 1,2- and 1,3-diaminothiacalix[4]arenes via nucleophilic aromatic substitution and their X-ray structures","RSC Advances","2014","4","19","9608","","10.1039/c3ra47718e","","","0.71069","MoKα","","0.1383","0.0974","","","0.2057","0.2325","","","","","","1.066","","","","has coordinates,has disorder","244729","2020-10-21","18:00:00",""
"7239483","10.019","0.005","15.041","0.007","13.613","0.007","90","","103.487","0.013","90","","1994.8","1.7","113","","113","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H50 N2 O2 S4 -","- C40 H44 N2 O2 S4 -","- C80 H88 N4 O4 S8 -","2","1","","Katagiri, Hiroshi; Tanaka, Shinya; Ohkubo, Kazuya; Akahira, Yuki; Morohashi, Naoya; Iki, Nobukiho; Hattori, Tetsutaro; Miyano, Sotaro","Regioselective synthesis of 1,2- and 1,3-diaminothiacalix[4]arenes via nucleophilic aromatic substitution and their X-ray structures","RSC Advances","2014","4","19","9608","","10.1039/c3ra47718e","","","0.71069","MoKα","","0.1132","0.0903","","","0.237","0.2547","","","","","","1.122","","","","has coordinates,has disorder","244729","2020-10-21","18:00:00",""
"7239484","15.3887","0.0016","15.3887","0.0016","17.563","0.003","90","","90","","90","","4159.1","0.9","173","2","173","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C42 H53 N3 O2 S4 -","- C42 H44 N3 O2 S4 -","- C168 H176 N12 O8 S16 -","4","0.25","","Katagiri, Hiroshi; Tanaka, Shinya; Ohkubo, Kazuya; Akahira, Yuki; Morohashi, Naoya; Iki, Nobukiho; Hattori, Tetsutaro; Miyano, Sotaro","Regioselective synthesis of 1,2- and 1,3-diaminothiacalix[4]arenes via nucleophilic aromatic substitution and their X-ray structures","RSC Advances","2014","4","19","9608","","10.1039/c3ra47718e","","","0.71073","MoKα","","0.1247","0.0769","","","0.2036","0.2528","","","","","","1.102","","","","has coordinates,has disorder","244729","2020-10-21","18:00:00",""
"7239485","13.8234","0.0009","19.7567","0.001","24.5819","0.0013","90","","123.419","0.003","90","","5603.5","0.6","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H72 N2 O8 S4 -","- C57 H72 N2 O8 S4 -","- C228 H288 N8 O32 S16 -","4","1","","Katagiri, Hiroshi; Tanaka, Shinya; Ohkubo, Kazuya; Akahira, Yuki; Morohashi, Naoya; Iki, Nobukiho; Hattori, Tetsutaro; Miyano, Sotaro","Regioselective synthesis of 1,2- and 1,3-diaminothiacalix[4]arenes via nucleophilic aromatic substitution and their X-ray structures","RSC Advances","2014","4","19","9608","","10.1039/c3ra47718e","","","0.71069","MoKα","","0.0833","0.0635","","","0.1695","0.1811","","","","","","1.324","","","","has coordinates,has disorder","244729","2020-10-21","18:00:00",""
"7239486","17.004","0.003","18.042","0.004","19.082","0.004","90","","90","","90","","5854","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H28 Cl3 N7 O6 -","- C26 H28 Cl3 N7 O6 -","- C208 H224 Cl24 N56 O48 -","8","1","","Liu, Wei; Wang, Qi-Qiang; Wang, Yuanyuan; Huang, Zhi-Tang; Wang, De-Xian","Designed self-assemblies based on cooperative noncovalent interactions including anion–π, lone-pair electron–π and hydrogen bonding","RSC Advances","2014","4","18","9339","","10.1039/c3ra47748g","","","0.71073","MoKα","","0.1244","0.1154","","","0.2773","0.2836","","","","","","1.262","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239487","17.077","0.003","17.927","0.004","19.393","0.004","90","","90","","90","","5937","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H28 Br Cl2 N7 O6 -","- C26 H28 Br Cl2 N7 O6 -","- C208 H224 Br8 Cl16 N56 O48 -","8","1","","Liu, Wei; Wang, Qi-Qiang; Wang, Yuanyuan; Huang, Zhi-Tang; Wang, De-Xian","Designed self-assemblies based on cooperative noncovalent interactions including anion–π, lone-pair electron–π and hydrogen bonding","RSC Advances","2014","4","18","9339","","10.1039/c3ra47748g","","","0.71073","MoKα","","0.1808","0.1483","","","0.2404","0.257","","","","","","1.3","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239488","17.539","0.004","17.744","0.004","19.73","0.004","90","","90","","90","","6140","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H28 Cl2 N8 O9 -","- C26 H28 Cl2 N8 O9 -","- C208 H224 Cl16 N64 O72 -","8","1","","Liu, Wei; Wang, Qi-Qiang; Wang, Yuanyuan; Huang, Zhi-Tang; Wang, De-Xian","Designed self-assemblies based on cooperative noncovalent interactions including anion‒π, lone-pair electron‒π and hydrogen bonding","RSC Advances","2014","4","18","9339","","10.1039/c3ra47748g","","","0.71073","MoKα","","0.2533","0.2288","","","0.4569","0.4713","","","","","","1.325","","","","has coordinates,has disorder","244730","2020-10-21","18:00:00",""
"7239489","13.47","0.003","12.046","0.002","30.738","0.006","90","","92.59","0.03","90","","4982.4","1.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 Cl4 N12 O17 -","- C44 H34 Cl4 N12 O17 -","- C176 H136 Cl16 N48 O68 -","4","1","","Liu, Wei; Wang, Qi-Qiang; Wang, Yuanyuan; Huang, Zhi-Tang; Wang, De-Xian","Designed self-assemblies based on cooperative noncovalent interactions including anion–π, lone-pair electron–π and hydrogen bonding","RSC Advances","2014","4","18","9339","","10.1039/c3ra47748g","","","0.71073","MoKα","","0.1316","0.118","","","0.2428","0.2509","","","","","","1.279","","","","has coordinates,has disorder","301866","2025-08-22","21:38:36",""
"7239490","5.0171","0.0002","16.1781","0.0006","10.3154","0.0004","90","","102.463","0.002","90","","817.54","0.06","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N4 O6 -","- C16 H16 N4 O6 -","- C32 H32 N8 O12 -","2","1","","Alcaine, Ana; Marqués-López, Eugenia; Herrera, Raquel P.","Synthesis of interesting β-nitrohydrazides through a thiourea organocatalysed aza-Michael addition","RSC Adv.","2014","4","19","9856","","10.1039/C3RA47925K","","","1.54178","CuKα","","0.0617","0.0598","","","0.148","0.1503","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239585","7.9894","0.0005","10.0752","0.0006","12.0845","0.0006","98.84","0.002","100.429","0.002","94.519","0.002","939.6","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 Cl2 Cu2 N4 O14 -","- C38 H34 Cl2 Cu2 N4 O14 -","- C38 H34 Cl2 Cu2 N4 O14 -","1","0.5","","Das, Sanju; Biswas, Surajit; Mukherjee, Santanu; Bandyopadhyay, Jaya; Samanta, Subhodip; Bhowmick, Indrani; Hazra, Dipak Kumar; Ray, Ambarish; Parui, Partha Pratim","A cyanide selective off–on fluorescent chemosensor with in vivo imaging in 100% water: solid probe preferred over in situ generation","RSC Adv.","2014","4","19","9656","","10.1039/C4RA00069B","","","0.71073","MoKα","","0.0354","0.0331","","","0.0887","0.0942","","","","","","1.099","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239586","24.516","0.004","7.3474","0.0013","23.623","0.004","90","","99.65","0.002","90","","4195","1.2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 N6 O21 Zn2 -","- C42 H36 N6 O21 Zn2 -","- C168 H144 N24 O84 Zn8 -","4","1","","Li, Fang-Fang; Zhang, Qin-Qin; Zhao, Yan-Yan; Jiang, Shu-Xin; Shi, Xue-Ying; Cui, Jian-Zhong; Gao, Hong-ling","Syntheses, structures, and properties of six new coordination polymers constructed from N-heterocyclic multicarboxylic acids","RSC Advances","2014","4","21","10424","","10.1039/c4ra00180j","","","0.71073","MoKα","","0.0718","0.0538","","","0.1134","0.1214","","","","","","1.099","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239587","8.5377","0.0017","16.953","0.003","17.256","0.004","90","","102.99","0.03","90","","2433.7","0.9","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 N4 O8 Zn2 -","- C27 H16 N4 O8 Zn2 -","- C108 H64 N16 O32 Zn8 -","4","1","","Li, Fang-Fang; Zhang, Qin-Qin; Zhao, Yan-Yan; Jiang, Shu-Xin; Shi, Xue-Ying; Cui, Jian-Zhong; Gao, Hong-ling","Syntheses, structures, and properties of six new coordination polymers constructed from N-heterocyclic multicarboxylic acids","RSC Advances","2014","4","21","10424","","10.1039/c4ra00180j","","","0.71073","MoKα","","0.064","0.045","","","0.0877","0.0949","","","","","","0.997","","","","has coordinates","244783","2020-10-21","18:00:00",""
"7239588","7.526","0.003","11.277","0.003","12.205","0.003","71.997","0.014","87.887","0.018","74.766","0.014","949.4","0.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N4 O9 Zn -","- C20 H14 N4 O9 Zn -","- C40 H28 N8 O18 Zn2 -","2","1","","Li, Fang-Fang; Zhang, Qin-Qin; Zhao, Yan-Yan; Jiang, Shu-Xin; Shi, Xue-Ying; Cui, Jian-Zhong; Gao, Hong-ling","Syntheses, structures, and properties of six new coordination polymers constructed from N-heterocyclic multicarboxylic acids","RSC Advances","2014","4","21","10424","","10.1039/c4ra00180j","","","0.71073","MoKα","","0.0504","0.0368","","","0.0803","0.0862","","","","","","1.001","","","","has coordinates","244783","2020-10-21","18:00:00",""
"7239589","7.4083","0.0015","10.89","0.002","13.632","0.003","66.67","0.03","78.17","0.03","71.78","0.03","955.1","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 N3 O8.5 Zn -","- C16 H12 N3 O8.5 Zn -","- C32 H24 N6 O17 Zn2 -","2","1","","Li, Fang-Fang; Zhang, Qin-Qin; Zhao, Yan-Yan; Jiang, Shu-Xin; Shi, Xue-Ying; Cui, Jian-Zhong; Gao, Hong-ling","Syntheses, structures, and properties of six new coordination polymers constructed from N-heterocyclic multicarboxylic acids","RSC Advances","2014","4","21","10424","","10.1039/c4ra00180j","","","0.71073","MoKα","","0.0481","0.037","","","0.112","0.1151","","","","","","1.043","","","","has coordinates,has disorder","244783","2020-10-21","18:00:00",""
"7239590","16.349","0.003","16.979","0.003","17.583","0.004","90","","112.86","0.03","90","","4497.5","1.8","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Cu2 N3 O13 -","- C19 H13 Cu2 N3 O13 -","- C152 H104 Cu16 N24 O104 -","8","1","","Li, Fang-Fang; Zhang, Qin-Qin; Zhao, Yan-Yan; Jiang, Shu-Xin; Shi, Xue-Ying; Cui, Jian-Zhong; Gao, Hong-ling","Syntheses, structures, and properties of six new coordination polymers constructed from N-heterocyclic multicarboxylic acids","RSC Advances","2014","4","21","10424","","10.1039/c4ra00180j","","","0.71073","MoKα","","0.0985","0.0757","","","0.1741","0.1893","","","","","","1.055","","","","has coordinates,has disorder","244783","2020-10-21","18:00:00",""
"7239591","7.7911","0.0016","17.63","0.004","15.874","0.003","90","","96.99","0.03","90","","2164.2","0.8","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cu2 N3 O12 -","- C19 H17 Cu2 N3 O12 -","- C76 H68 Cu8 N12 O48 -","4","1","","Li, Fang-Fang; Zhang, Qin-Qin; Zhao, Yan-Yan; Jiang, Shu-Xin; Shi, Xue-Ying; Cui, Jian-Zhong; Gao, Hong-ling","Syntheses, structures, and properties of six new coordination polymers constructed from N-heterocyclic multicarboxylic acids","RSC Advances","2014","4","21","10424","","10.1039/c4ra00180j","","","0.71073","MoKα","","0.0429","0.0341","","","0.0776","0.0817","","","","","","1.07","","","","has coordinates","244783","2020-10-21","18:00:00",""
"7239592","16.334","0.003","12.039","0.002","16.574","0.003","90","","109.258","0.003","90","","3076.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H N O S -","- C3.6 H3.5 N0.5 O0.2 S0.1 -","- C144 H140 N20 O8 S4 -","40","10","","Yang, Meipan; Xu, Chengchao; Li, Shaoni; Cheng, Zhao; Zhou, Jia; Yang, Bingqin","Three selective and sensitive “off‒on” probes based on rhodamine for Fe3+ imaging in living cells","RSC Advances","2014","4","27","14248","","10.1039/c4ra00396a","","","0.71073","MoKα","","0.0857","0.0551","","","0.1402","0.1607","","","","","","1.049","","","","has coordinates","244784","2020-10-21","18:00:00",""
"7239593","28.38","0.006","17.275","0.006","19.574","0.007","90","","129.802","0.01","90","","7373","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H37 N5 O3 S -","- C37 H37 N5 O3 S -","- C296 H296 N40 O24 S8 -","8","1","","Yang, Meipan; Xu, Chengchao; Li, Shaoni; Cheng, Zhao; Zhou, Jia; Yang, Bingqin","Three selective and sensitive “off–on” probes based on rhodamine for Fe3+ imaging in living cells","RSC Advances","2014","4","27","14248","","10.1039/c4ra00396a","","","0.71073","MoKα","","0.2844","0.1379","","","0.3309","0.4167","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239594","9.558","0.002","12.296","0.003","14.954","0.004","74.955","0.005","82.177","0.005","72.016","0.005","1611.3","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 N6 O4 S -","- C36 H34 N6 O4 S -","- C72 H68 N12 O8 S2 -","2","1","","Yang, Meipan; Xu, Chengchao; Li, Shaoni; Cheng, Zhao; Zhou, Jia; Yang, Bingqin","Three selective and sensitive “off–on” probes based on rhodamine for Fe3+ imaging in living cells","RSC Advances","2014","4","27","14248","","10.1039/c4ra00396a","","","0.71073","MoKα","","0.153","0.0741","","","0.1822","0.2351","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239595","10.2389","0.0007","10.3829","0.0006","17.83","0.0006","90","","97.856","0.005","90","","1877.71","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H23 Eu N O14 -","- C12 H23 Eu N O14 -","- C48 H92 Eu4 N4 O56 -","4","1","","Wang, Hong-Ming; Liu, Hui-Ping; Chu, Tian-Shu; Yang, Yang-Yi; Hu, Yun-Song; Liu, Wen-Ting; Ng, Seik Weng","A luminescent terbium coordination polymer for sensing methanol","RSC Adv.","2014","4","27","14035","","10.1039/C4RA00745J","","","0.71073","MoKα","","0.0869","0.0596","","","0.1365","0.1613","","","","","","1.05","","","","has coordinates","244785","2020-10-21","18:00:00",""
"9005088","6.255","","9.034","","13.397","","90","","90","","90","","757.033","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","Lawsonite","- H6 Mn2 O10 Si2 Sr -","- H4 Mn2 O10 Si2 Sr -","- H16 Mn8 O40 Si8 Sr4 -","4","0.25","","Armbruster, T.; Oberhansli, R.; Bermanec, V.","Crystal structure of SrMn2(Si2O7)(OH)2.H2O, a new mineral of the lawsonite type","European Journal of Mineralogy","1992","4","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005089","8.884","","5.685","","10.152","","90","","115","","90","","464.693","","","","","","","","","","","","Monte Brugiana, Alpi Apuane, Italy","15","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.75 Ca1.48 Ce0.04 Fe0.39 H La0.16 Mg0.08 Mn0.98 Nd0.06 O13 Pr0.02 Si3 Sm0.003 Sr0.03 Th0.004 -","- Al1.7499 Ca1.48 Ce0.04 Fe0.39 H La0.16 Mg0.0798 Mn0.98 Nd0.06 O13 Pr0.02 Si3 Sm0.003 Sr0.03 Th0.004 -","- Al3.4998 Ca2.96 Ce0.08 Fe0.78 H2 La0.32 Mg0.1596 Mn1.96 Nd0.12 O26 Pr0.04 Si6 Sm0.006 Sr0.06 Th0.008 -","2","0.5","","Bonazzi, P.; Garbarino, C.; Menchetti, S.","Crystal chemistry of piemontites: REE-bearing piemontite from Monte Brugiana, Alpi Apuane, Italy Sample: BR1A","European Journal of Mineralogy","1992","4","","23","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005090","8.881","","5.683","","10.15","","90","","114.99","","90","","464.319","","","","","","","","","","","","Monte Brugiana, Alpi Apuane, Italy","15","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.75 Ca1.48 Ce0.04 Fe0.39 H La0.16 Mg0.08 Mn0.98 Nd0.06 O13 Pr0.02 Si3 Sm0.003 Sr0.03 Th0.004 -","- Al1.7499 Ca1.48 Ce0.04 Fe0.39 H La0.16 Mg0.0798 Mn0.98 Nd0.06 O13 Pr0.02 Si3 Sm0.003 Sr0.03 Th0.004 -","- Al3.4998 Ca2.96 Ce0.08 Fe0.78 H2 La0.32 Mg0.1596 Mn1.96 Nd0.12 O26 Pr0.04 Si6 Sm0.006 Sr0.06 Th0.008 -","2","0.5","","Bonazzi, P.; Garbarino, C.; Menchetti, S.","Crystal chemistry of piemontites: REE-bearing piemontite from Monte Brugiana, Alpi Apuane, Italy Sample: BR1C","European Journal of Mineralogy","1992","4","","23","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005091","8.857","","5.671","","10.156","","90","","115.29","","90","","461.225","","","","","","","","","","","","Monte Brugiana, Alpi Apuane, Italy","13","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.88 Ca1.73 Ce0.02 Fe0.51 H La0.02 Mg0.01 Mn0.81 Nd0.01 O13 Pr0.002 Si2.97 Sr0.04 -","- Al1.8798 Ca1.73 Ce0.02 Fe0.51 H La0.02 Mg0.0099 Mn0.81 Nd0.01 O13 Pr0.002 Si2.97 Sr0.04 -","- Al3.7596 Ca3.46 Ce0.04 Fe1.02 H2 La0.04 Mg0.0198 Mn1.62 Nd0.02 O26 Pr0.004 Si5.94 Sr0.08 -","2","0.5","","Bonazzi, P.; Garbarino, C.; Menchetti, S.","Crystal chemistry of piemontites: REE-bearing piemontite from Monte Brugiana, Alpi Apuane, Italy Sample: BR2P","European Journal of Mineralogy","1992","4","","23","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005092","8.845","","5.668","","10.152","","90","","115.35","","90","","459.947","","","","","","","","","","","","Monte Brugiana, Alpi Apuane, Italy","13","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.88 Ca1.73 Ce0.02 Fe0.51 H La0.02 Mg0.01 Mn0.81 Nd0.01 O13 Pr0.002 Si2.97 Sr0.04 -","- Al1.8798 Ca1.73 Ce0.02 Fe0.51 H La0.02 Mg0.0099 Mn0.81 Nd0.01 O13 Pr0.002 Si2.97 Sr0.04 -","- Al3.7596 Ca3.46 Ce0.04 Fe1.02 H2 La0.04 Mg0.0198 Mn1.62 Nd0.02 O26 Pr0.004 Si5.94 Sr0.08 -","2","0.5","","Bonazzi, P.; Garbarino, C.; Menchetti, S.","Crystal chemistry of piemontites: REE-bearing piemontite from Monte Brugiana, Alpi Apuane, Italy Sample: BR2H","European Journal of Mineralogy","1992","4","","23","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005093","9.884","","18.005","","5.274","","90","","104.65","","90","","908.055","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Richterite","- Al0.358 Ca1.393 F1.163 Fe0.266 H0.837 K0.266 Mg4.696 Mn0.013 Na1.168 O22.837 Si7.629 Ti0.036 -","- Al0.3584 Ca1.393 F1.163 Fe0.2665 H0.837 K0.266 Mg4.6965 Mn0.013 Na1.168 O22.837 Si7.6288 Ti0.0363 -","- Al0.7168 Ca2.786 F2.326 Fe0.533 H1.674 K0.532 Mg9.393 Mn0.026 Na2.336 O45.674 Si15.2576 Ti0.0726 -","2","0.25","","Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.","The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite Sample: R(1) Fluor-richterite","European Journal of Mineralogy","1992","4","","425","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005094","9.998","","17.976","","5.273","","90","","104.75","","90","","916.455","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Richterite","- Al0.098 Ca1.042 F0.62 H1.38 K0.872 Mg4.872 Mn0.072 Na1.114 O23.38 Si7.951 Sr0.051 Ti0.006 -","- Al0.0978 Ca1.042 F0.62 H1.38 K0.872 Mg4.8725 Mn0.0725 Na1.1139 O23.38 Si7.9512 Sr0.051 Ti0.006 -","- Al0.1956 Ca2.084 F1.24 H2.76 K1.744 Mg9.745 Mn0.145 Na2.2278 O46.76 Si15.9024 Sr0.102 Ti0.012 -","2","0.25","","Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.","The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite Sample: R(2) Potassium-richterite","European Journal of Mineralogy","1992","4","","425","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005095","9.97","","17.985","","5.273","","90","","104.81","","90","","914.093","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Richterite","- Al0.018 Ca1.098 F1.263 Fe0.012 H0.737 K0.724 Mg4.983 Mn0.004 Na1.172 O22.737 Si7.887 Ti0.002 -","- Al0.0184 Ca1.098 F1.263 Fe0.0125 H0.737 K0.724 Mg4.983 Mn0.004 Na1.172 O22.737 Si7.8872 Ti0.0024 -","- Al0.0368 Ca2.196 F2.526 Fe0.025 H1.474 K1.448 Mg9.966 Mn0.008 Na2.344 O45.474 Si15.7744 Ti0.0048 -","2","0.25","","Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.","The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite Sample: R(3) Potassium-fluor-richterite","European Journal of Mineralogy","1992","4","","425","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9005096","9.948","","18.025","","5.281","","90","","104.72","","90","","915.871","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Richterite","- Al0.08 Ca0.966 F0.664 Fe0.583 H1.336 K0.772 Mg3.889 Mn0.01 Na1.173 O23.336 Si7.73 Ti0.708 -","- Al0.08 Ca0.966 F0.664 Fe0.583 H1.336 K0.772 Mg3.889 Mn0.01 Na1.1732 O23.336 Si7.7304 Ti0.7084 -","- Al0.16 Ca1.932 F1.328 Fe1.166 H2.672 K1.544 Mg7.778 Mn0.02 Na2.3464 O46.672 Si15.4608 Ti1.4168 -","2","0.25","","Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.","The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite Sample: R(5) Potassium-fluor-richterite","European Journal of Mineralogy","1992","4","","425","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9005097","9.95","","18.035","","5.284","","90","","104.76","","90","","916.915","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Richterite","- Al0.085 Ca0.97 F0.719 Fe0.543 H1.281 K0.777 Mg3.964 Mn0.016 Na1.199 O23.281 Si7.72 Ti0.672 -","- Al0.0848 Ca0.97 F0.719 Fe0.543 H1.281 K0.7771 Mg3.9635 Mn0.016 Na1.1995 O23.281 Si7.72 Ti0.6722 -","- Al0.1696 Ca1.94 F1.438 Fe1.086 H2.562 K1.5542 Mg7.927 Mn0.032 Na2.399 O46.562 Si15.44 Ti1.3444 -","2","0.25","","Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.","The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite Sample: R(6) Potassium-fluor-richterite","European Journal of Mineralogy","1992","4","","425","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005098","10.02","","18.026","","5.282","","90","","104.96","","90","","921.702","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Richterite","- Al0.053 Ca1.014 F1.383 Fe0.292 H0.617 K0.986 Mg4.65 Mn0.006 Na0.963 O22.617 Si7.677 Ti0.32 -","- Al0.0528 Ca1.014 F1.383 Fe0.2915 H0.617 K0.9858 Mg4.65 Mn0.006 Na0.963 O22.617 Si7.6768 Ti0.3196 -","- Al0.1056 Ca2.028 F2.766 Fe0.583 H1.234 K1.9716 Mg9.3 Mn0.012 Na1.926 O45.234 Si15.3536 Ti0.6392 -","2","0.25","","Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.","The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite Sample: R(7) Potassium-fluor-richterite","European Journal of Mineralogy","1992","4","","425","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9005099","10.022","","18.029","","5.284","","90","","105.01","","90","","922.173","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Richterite","- Al0.062 Ca1.026 F1.444 Fe0.295 H0.556 K Mg4.656 Mn0.007 Na0.935 O22.556 Si7.58 Ti0.399 -","- Al0.0616 Ca1.026 F1.444 Fe0.295 H0.556 K0.99999 Mg4.6565 Mn0.007 Na0.935 O22.556 Si7.58 Ti0.3986 -","- Al0.1232 Ca2.052 F2.888 Fe0.59 H1.112 K1.99998 Mg9.313 Mn0.014 Na1.87 O45.112 Si15.16 Ti0.7972 -","2","0.25","","Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.","The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite Sample: R(8) Potassium-fluor-richterite","European Journal of Mineralogy","1992","4","","425","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9005100","10.025","","18.034","","5.286","","90","","104.98","","90","","923.183","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Richterite","- Al0.064 Ca1.02 F1.466 Fe0.3 H0.532 K0.996 Mg4.65 Mn0.005 Na0.934 O22.532 Si7.536 Ti0.419 -","- Al0.064 Ca1.02 F1.466 Fe0.3 H0.532 K0.996 Mg4.65 Mn0.005 Na0.934 O22.532 Si7.536 Ti0.419 -","- Al0.128 Ca2.04 F2.932 Fe0.6 H1.064 K1.992 Mg9.3 Mn0.01 Na1.868 O45.064 Si15.072 Ti0.838 -","2","0.25","","Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.","The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite Sample: R(9) Potassium-fluor-richterite","European Journal of Mineralogy","1992","4","","425","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9005101","10.028","","18.039","","5.289","","90","","105.04","","90","","923.98","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Richterite","- Al0.077 Ca1.053 Fe0.323 H2 K0.969 Mg4.641 Mn0.005 Na0.919 O24 Si7.565 Ti0.388 -","- Al0.0768 Ca1.053 Fe0.323 H4 K0.969 Mg4.6415 Mn0.005 Na0.919 O26 Si7.5648 Ti0.3876 -","- Al0.1536 Ca2.106 Fe0.646 H8 K1.938 Mg9.283 Mn0.01 Na1.838 O52 Si15.1296 Ti0.7752 -","2","0.25","","Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.","The behaviour of Ti in amphiboles: I. Four- and six-coordinate Ti in richterite Sample: R(12) Potassium-fluor-richterite Note: z-coordinate of O2 corrected","European Journal of Mineralogy","1992","4","","425","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005102","8.4421","","8.4421","","8.4421","","90","","90","","90","","601.66","","","","773.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 500 C","European Journal of Mineralogy","1992","4","","571","580","10.1127/ejm/4/3/0571","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005103","8.4421","","8.4421","","8.4421","","90","","90","","90","","601.66","","","","823.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 550 C","European Journal of Mineralogy","1992","4","","571","580","10.1127/ejm/4/3/0571","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005104","8.4421","","8.4421","","8.4421","","90","","90","","90","","601.66","","","","873.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 600 C","European Journal of Mineralogy","1992","4","","571","580","10.1127/ejm/4/3/0571","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005105","8.4421","","8.4421","","8.4421","","90","","90","","90","","601.66","","","","923.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 650 C","European Journal of Mineralogy","1992","4","","571","580","10.1127/ejm/4/3/0571","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005106","8.4421","","8.4421","","8.4421","","90","","90","","90","","601.66","","","","973.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 700 C","European Journal of Mineralogy","1992","4","","571","580","10.1127/ejm/4/3/0571","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005107","8.4421","","8.4421","","8.4421","","90","","90","","90","","601.66","","","","1023.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 750 C","European Journal of Mineralogy","1992","4","","571","580","10.1127/ejm/4/3/0571","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005108","8.4421","","8.4421","","8.4421","","90","","90","","90","","601.66","","","","1073.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 800 C","European Journal of Mineralogy","1992","4","","571","580","10.1127/ejm/4/3/0571","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005109","8.4421","","8.4421","","8.4421","","90","","90","","90","","601.66","","","","1123.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 850 C","European Journal of Mineralogy","1992","4","","571","580","10.1127/ejm/4/3/0571","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005110","8.4421","","8.4421","","8.4421","","90","","90","","90","","601.66","","","","1173.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 900 C","European Journal of Mineralogy","1992","4","","571","580","10.1127/ejm/4/3/0571","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005111","8.4421","","8.4421","","8.4421","","90","","90","","90","","601.66","","","","1223.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 950 C","European Journal of Mineralogy","1992","4","","571","580","10.1127/ejm/4/3/0571","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005112","8.4421","","8.4421","","8.4421","","90","","90","","90","","601.66","","","","1273.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 1000 C","European Journal of Mineralogy","1992","4","","571","580","10.1127/ejm/4/3/0571","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005113","8.4421","","8.4421","","8.4421","","90","","90","","90","","601.66","","","","1323.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 1050 C","European Journal of Mineralogy","1992","4","","571","580","10.1127/ejm/4/3/0571","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005114","8.4421","","8.4421","","8.4421","","90","","90","","90","","601.66","","","","1373.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","O'Neill H St C","Temperature dependence of the cation distribution in zinc ferrite (ZnFe2O4) from powder XRD structural refinements Sample: at T = 1100 C","European Journal of Mineralogy","1992","4","","571","580","10.1127/ejm/4/3/0571","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005115","8.758","","4.876","","10.715","","90","","90.08","","90","","457.573","","","","","","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","Moganite","- O2 Si -","- O2 Si -","- O24 Si12 -","12","1.5","","Miehe, G.; Graetsch, H.","Crystal structure of moganite: a new structure type of silica","European Journal of Mineralogy","1992","4","","693","706","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005116","16.923","","9.721","","20.909","","90","","112.4","","90","","3180.17","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","Baratovite","- Ca7 F2 K Li3 O36 Si12 Ti2 -","- Ca7 F2 K Li3 O36 Si12 Ti2 -","- Ca28 F8 K4 Li12 O144 Si48 Ti8 -","4","0.5","","Baur, W. H.; Kassner, D.","Katayamalite and baratovite are structurally identical","European Journal of Mineralogy","1992","4","","839","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005117","17.899","","18.39","","6.529","","90","","90","","90","","2149.1","","","","","","","","","","","","","5","C 1 1 21","","","","","Natrolite-NH4 exchanged","- Al2 H8 N2 O10 Si3 -","- Al2 H8 N2 O10 Si3 -","- Al16 H64 N16 O80 Si24 -","8","","","Stuckenschmidt, E.; Kassner, D.; Joswig, W.; Baur, W. H.","Flexibility and distortion of the collapsible framework of NAT topology: the crystal structure of NH4-exchanged natrolite","European Journal of Mineralogy","1992","4","","1229","1240","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005118","11.897","","9.707","","9.633","","90","","95.76","","90","","1106.84","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","Weinebeneite","- Be3 Ca H12 O14 P2 -","- Be3 Ca H10 O14 P2 -","- Be12 Ca4 H40 O56 P8 -","4","1","","Walter, F.","Weinebeneite, CaBe3(PO4)2(OH)2.4H2O, a new mineral species: mineral data and crystal structure","European Journal of Mineralogy","1992","4","","1275","1283","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9007427","6.19","","6.19","","5.61","","90","","90","","90","","214.953","","","","","","","","","","","","","5","P 4/n :1","P 4ab -1ab","85","","","Bandylite","- B Cl Cu H4 O4 -","- B Cl Cu H4 O4 -","- B2 Cl2 Cu2 H8 O8 -","2","0.25","","Collin, R. L.","The crystal structure of bandylite, CuCl2*CuB2O4*(H2O)4","Acta Crystallographica","1951","4","","204","209","10.1107/S0365110X51000726","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9009695","10.27","","5.911","","7.711","","90","","116.42","","90","","419.213","","","","","","","","","","","","Chigou black shale system, Ankang county, Shaanxi Province, China","5","C 1 2/m 1","-C 2y","12","","","Vesignieite","- Ba Cu3 H2 O10 V2 -","- Ba Cu3 H2 O10 V2 -","- Ba2 Cu6 H4 O20 V4 -","2","0.25","","Zhesheng, M.; Ruilin, H.; Xiaoling, Z.","Redetermination of the crystal structure of vesignieite Note: y- and z-coordinates of Ba altered","Acta Geologica Sinica","1991","4","","145","151","10.1111/j.1755-6724.1991.mp4002003.x","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009866","8.155","","8.155","","4.785","","90","","90","","120","","275.588","","","","","","","","","","","","Langban, Sweden","5","P 63","P 6c","173","","","Welinite","- Mg0.3 Mn2.81 O7 Si W0.4 -","- Mg0.3 Mn2.81 O7 Si W0.4 -","- Mg0.6 Mn5.62 O14 Si2 W0.8 -","2","0.333333","","Moore, P. B.","The crystal structure of welinite (Mn+4,W)<1(Mn+2,W,Mg)<3Si(O,OH)7","Arkiv for Mineralogi och Geologi","1969","4","","459","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9011835","5.53","","7.1","","18.3","","90","","102.43","","90","","701.671","","","","","","","","","","","","","12","P 1 2/c 1","-P 2yc","13","","","Seidozerite","- Al0.1 Ca0.4 F2 Fe0.19 Mg0.34 Mn0.46 Na3.6 Nb0.04 O16 Si4 Ti1.26 Zr1.44 -","- Al0.1 Ca0.4 F2 Fe0.19 Mg0.34 Mn0.46 Na3.6 Nb0.04 O16 Si4 Ti1.26 Zr1.44 -","- Al0.2 Ca0.8 F4 Fe0.38 Mg0.68 Mn0.92 Na7.2 Nb0.08 O32 Si8 Ti2.52 Zr2.88 -","2","0.5","","Simonov, V. I.; Belov, N. V.","The determination of the structure of seidozerite","Soviet Physics Crystallography","1960","4","","146","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9011836","9.62","","7.6","","4.84","","90","","90","","90","","353.862","","","","","","","","","","","","origin of crystal not given","5","P 1 21/a 1","-P 2yab","14","","","Datolite","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Pavlov, P. V.; Belov, N. V.","The structures of herderite, datolite and gadolinite determined by direct methods","Soviet Physics Crystallography","1959","4","","300","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011837","9.8","","7.68","","4.8","","90","","90.1","","90","","361.267","","","","","","","","","","","","not given, but the crystal was natural","5","P 1 21/a 1","-P 2yab","14","","","Herderite","- Be Ca F O4 P -","- Be Ca F O4 P -","- Be4 Ca4 F4 O16 P4 -","4","1","","Pavlov, P. V.; Belov, N. V.","The structures of herderite, datolite and gadolinite determined by direct methods","Soviet Physics Crystallography","1959","4","","300","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011838","5.16","","5.16","","10.89","","90","","90","","90","","289.953","","","","","","","","","","","","Ural Mountains, Russia","4","I 41/a :1","I 4bw -1bw","88","","","Fergusonite-(Y)","- Nb O4 Y0.85 Yb0.15 -","- Nb O4 Y0.85 Yb0.15 -","- Nb4 O16 Y3.4 Yb0.6 -","4","0.25","","Komkov, A. I.","The structure of natural fergusonite, and a polymorphic modification","Soviet Physics Crystallography","1959","4","","796","800","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011839","5.05","","10.89","","5.27","","90","","94.5","","90","","288.928","","","","","","","","","","annealed at T = 1000 C for t = 15 min","","Ural Mountains, Russia","4","I 1 2 1","I 2y","5","","","Fergusonite-(Y)","- Nb O4 Y0.85 Yb0.15 -","- Nb O4 Y0.85 Yb0.15 -","- Nb4 O16 Y3.4 Yb0.6 -","4","1","","Komkov, A. I.","The structure of natural fergusonite, and of a polymorphic modification Sample: annealed at T = 1000 C for t = 15 min","Soviet Physics Crystallography","1959","4","","796","800","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011887","16.74","","7.01","","6.59","","90","","96","","90","","769.083","","","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","Sklodowskite","- H8 Mg O16 Si2 U2 -","- H8 Mg O16 Si2 U2 -","- H16 Mg2 O32 Si4 U4 -","2","0.25","","Mokeeva, V. I.","The crystal structure of sklodowskite","Soviet Physics Doklady","1959","4","","27","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011943","4.27","","4.27","","40","","90","","90","","120","","631.606","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","Laitakarite","- Bi4 Se3 -","- Bi4 Se3 -","- Bi12 Se9 -","3","0.0833333","","Stasova, M. M.","The crystal structure of bismuthum selenide Bi4Se3","Izvestiya Akademii Nauk SSSR","1968","4","","28","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012783","5.436","","4.81","","11.76","","90","","90","","90","","307.491","","","","","","","","","","","","Synthetic","2","P n a 21","P 2c -2n","33","","","Cervantite","- O2 Sb -","- O2 Sb -","- O16 Sb8 -","8","2","","Gopalakrishnan, P. S.; Manohar, H.","Cervantite, alpha-Sb2O4","Crystal Structure Communications","1975","4","","203","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013889","10.45","","4.65","","9.25","","90","","90","","90","","449.481","","","","","","","","","","","","Ashio, Japan","4","P 1 21/a 1","-P 2yab","14","","","Ludlamite","- Fe3 H8 O12 P2 -","- Fe3 H8 O12 P2 -","- Fe6 H16 O24 P4 -","2","0.5","","Ito, T.; Mori, H.","The crystal structure of ludlamite","Acta Crystallographica","1951","4","","412","416","10.1107/S0365110X51001367","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9014005","10.24","","9.198","","12.222","","90","","95.12","","90","","1146.57","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Agricolaite","- C3 K4 O11 U -","- C3 K4 O11 U -","- C12 K16 O44 U4 -","4","0.5","","Han, J. C.; Rong, S. B.; Chen, Q. M.; Wu, X. R.","The determination of the crystal structure of tetrapotassium uranyl tricarbonate by powder X-ray diffraction method Locality: synthetic","Chinese Journal of Chemistry","1990","4","","313","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014364","9.6715","","5.43276","","7.0713","","90","","116.949","","90","","331.201","","","","","","","","","","","","synthetic at 11 GPa and 1373 K","3","C 1 2/m 1","-C 2y","12","","","","- Ca3 O8 V2 -","- Ca3 O8 V2 -","- Ca6 O16 V4 -","2","0.25","","Grzechnik, A.","Crystal structure of Ca3(VO4)2 synthesized at 11 GPa and 1373 K","Solid State Sciences","2002","4","","523","524","10.1016/S1293-2558(02)01287-6","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014871","8.54","","8.54","","12.07","","90","","90","","90","","880.284","","","","","","","","","","","","Stassfurt, Germany","4","P c a 21","","","","","Boracite","- B7 Cl Mg3 O13 -","- B7 Cl Mg3 O13 -","- B28 Cl4 Mg12 O52 -","4","1","","Ito, T.; Morimoto, N.; Sadanaga, R.","The crystal structure of boracite","Acta Crystallographica","1951","4","","310","316","10.1107/S0365110X51001033","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015802","12.1","","12.1","","12.1","","90","","90","","90","","1771.56","","","","","","","","","","","","Stassfurt, Germany","4","F -4 3 c","F -4a 2 3","219","","","Boracite","- B7 Cl Mg3 O13 -","- B7 Cl Mg3 O13 -","- B56 Cl8 Mg24 O104 -","8","0.0833333","","Ito, T.; Morimoto, N.; Sadanaga, R.","The crystal structure of boracite Note: high boracite Note: T = 300 C","Acta Crystallographica","1951","4","","310","316","10.1107/S0365110X51001033","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9016173","5.504","","5.568","","15.52","","90","","90","","90","","475.63","","","","","","","","","","","","Synthetic","3","P 2 2 21","P 2c 2","17","","","Lueshite","- Na Nb O3 -","- Na Nb O3 -","- Na8 Nb8 O24 -","8","2","","Vousden, P.","The structure of ferroelectric sodium niobate at room temperature Note: this is a possible polymorph of lueshite","Acta Crystallographica","1951","4","","545","551","10.1107/S0365110X51001768","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016560","11.95","","13.82","","6.71","","90","","103.63","","90","","1076.94","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Ba Pd -","- Ba Pd -","- Ba4 Pd4 -","4","0.5","","de Rassenfosse, A.; Pierard, J.","Etude cristallographique du palladocyanure de baryum. BaPd(CN)4(H2O)4 _cod_database_code 1010798","Bulletin de la Societe Royal des Sciences de Liege","1935","4","","74","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""