# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2026-01-03T01:25:21+01:00 # Query: # SELECT data.* # FROM # data # WHERE # (status is null or status != 'retracted') and # (volume = 21 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 "1000228","10.325","0.002","10.325","0.002","10.325","0.002","90","","90","","90","","1100.7","","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","Iron trifluoride","","- F3 Fe -","- F3 Fe -","- F48 Fe16 -","16","0.0833333","","De Pape, R; Ferey, G","A new form of Fe F~3~ with the pyrochlore structure: Soft chemistry, crystal structure, thermal transitions and structural correlations with the other forms of Fe F~3~","Materials Research Bulletin","1986","21","","971","978","10.1016/0025-5408(86)90134-0","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1000401","7.645","0.002","7.645","0.002","7.645","0.002","90","","90","","90","","446.8","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Niobic acid","","- H Nb O3 -","- H1.02 Nb O3 -","- H8.16 Nb8 O24 -","8","0.166667","","Fourquet, J-L; Renou, M-F; De Pape, R","La reaction d'echange topotactique Li Nb O3 -> H Nb O3 en milieu acide","Revue de Chimie Minerale","1984","21","","383","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1000414","5.468","0.002","5.535","0.002","12.547","0.003","90","","90","","90","","379.7","","","","","","","","","","","","","3","P n c b :1","P 2 2 -1bc","50","","Dilanthanum niccolate","","- La2 Ni O4 -","- La2 Ni O4 -","- La8 Ni4 O16 -","4","0.5","","Odier, P; Leblanc, M; Choisnet, J","Structural characterization of an orthorhombic form of La Ni O4","Materials Research Bulletin","1986","21","","787","796","10.1016/0025-5408(86)90163-7","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1001327","6.695","0.001","6.695","0.001","5.819","0.002","90","","90","","90","","260.8","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Dineodymium barium copper(II) pentaoxide","","- Ba Cu Nd2 O5 -","- Ba Cu Nd2 O5 -","- Ba2 Cu2 Nd4 O10 -","2","0.125","","Michel, C; Er-Rakho, L; Raveau, B","Les oxides Nd~2-x~ Ba~1+x~ Cu~1-x/2~ O~5-x~","Revue de Chimie Minerale","1984","21","","85","91","","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001353","6.639","0.007","8.957","0.011","21.145","0.016","90","","90","","90","","1257.4","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Barium titanium niobium oxide (1/3/4/17)","","- Ba Nb4 O17 Ti3 -","- Ba Nb4 O17 Ti3 -","- Ba4 Nb16 O68 Ti12 -","4","0.25","","Mezaoui, D; Michel, C; Groult, D; Raveau, B","A M~3~ O~9~ (M~2~ O~4~)~n~: A series of oxides derived from the rutile structure by chemical twinning","Materials Research Bulletin","1986","21","","1039","1044","10.1016/0025-5408(86)90218-7","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1004037","10.965","0.001","10.965","0.001","10.965","0.001","90","","90","","90","","1318.3","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Potassium bismuth oxide hydroxide *","","- Bi2.37 H1.9 K1.14 O6.8 -","- Bi2.37 H3.7998 K1.14 O6.8 -","- Bi18.96 H30.3984 K9.12 O54.4 -","8","0.0416667","","Trehoux, J; Abraham, F; Thomas, D","Etude structurale d'un pyrochlore non stoechiometrique et desordonne contenant Bi(III) et Bi(V)","Journal of Solid State Chemistry","1977","21","","203","209","10.1016/0022-4596(77)90197-9","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1008161","3.02","","3.02","","14.3","","90","","90","","120","","112.9","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Rhodium(III) lithium oxide","","- Li O2 Rh -","- Li O2 Rh -","- Li3 O6 Rh3 -","3","0.0833333","","Bertaut, E F; Dulac, J","Sur l'isomorphisme d'oxydes ternaires de chrome et de rhodium trivalents","Journal of Physics and Chemistry of Solids","1961","21","","118","119","10.1016/0022-3697(61)90220-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1008162","3.075","","3.075","","17.165","","90","","90","","120","","140.6","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Rhodium(III) copper oxide","","- Cu O2 Rh -","- Cu O2 Rh -","- Cu3 O6 Rh3 -","3","0.0833333","","Bertaut, E F; Dulac, J","Sur l'isomorphisme d'oxydes ternaires de chrome et de rhodium trivalents","Journal of Physics and Chemistry of Solids","1961","21","","118","119","10.1016/0022-3697(61)90220-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1008179","5.1947","0.0005","7.5017","0.0007","11.4367","0.0014","77.7","0.01","89.72","0.01","82.62","0.01","431.7","","","","","","","","","","","","","4","P -1","-P 1","2","","Tricaesium trimanganese(III) tetravanadium oxide","","- Cs3 Mn3 O16 V4 -","- Cs3 Mn3 O16 V4 -","- Cs3 Mn3 O16 V4 -","1","0.5","","le Page, Y; Strobel, P","Crystal Structure of a New Cesium Manganese Vanadium Oxide, Cs~3~ Mn~3~ V~4~ O~16~","Inorganic Chemistry","1982","21","","620","623","10.1021/ic00132a031","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008215","5.177","","5.177","","14.168","","90","","90","","120","","328.8","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Cobalt oxoniobate","","- Co4 Nb2 O9 -","- Co4 Nb2 O9 -","- Co8 Nb4 O18 -","2","0.166667","","Bertaut, E F; Corliss, L; Forrat, F; Aleonard, R; Pauthenet, R","Etude de niobates et tantalates de metaux transition bivalents","Journal of Physics and Chemistry of Solids","1961","21","","234","251","10.1016/0022-3697(61)90103-2","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008216","5.335","","5.335","","14.32","","90","","90","","120","","353","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Manganese niobate","","- Mn4 Nb2 O9 -","- Mn4 Nb2 O9 -","- Mn8 Nb4 O18 -","2","0.166667","","Bertaut, E F; Corliss, L; Forrat, F; Aleonard, R; Pauthenet, R","Etude de niobates et tantalates de metaux transition bivalents","Journal of Physics and Chemistry of Solids","1961","21","","234","251","10.1016/0022-3697(61)90103-2","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008359","8.266","0.002","8.2","0.002","8.18","0.002","66.08","0.02","60.16","0.02","71.06","0.02","434.3","","","","","","","","","","","","","4","P -1","-P 1","2","","Potassium dihydrogen triiodate","","- H2 I3 K O9 -","- H I3 K O9 -","- H2 I6 K2 O18 -","2","1","","Bordet, P; Boucherle, J-X; Santoro, A; Marezio, M","Crystal structure and proton conductivity of N H~4~ H~2~ (I O~3~)~3~ and K H~2~ (I O~3~)~3~","Solid State Ionics","1986","21","","243","254","10.1016/0167-2738(86)90079-2","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008360","8.266","0.002","8.2","0.002","8.18","0.002","66.08","0.02","60.16","0.02","71.06","0.02","434.3","","","","","","","","","","","","","4","P -1","-P 1","2","","Potassium dihydrogen triiodate","","- H2 I3 K O9 -","- H2 I3 K O9 -","- H4 I6 K2 O18 -","2","1","","Bordet, P; Boucherle, J-X; Santoro, A; Marezio, M","Crystal structure and proton conductivity of N H~4~ H~2~ (I O~3~)~3~ and K H~2~ (I O~3~)~3~","Solid State Ionics","1986","21","","243","254","10.1016/0167-2738(86)90079-2","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1008633","7.455","","7.455","","7.455","","90","","90","","90","","414.3","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Neodymium copper ruthenium oxide (1/3/4/12)","","- Cu3 Nd O12 Ru4 -","- Cu3 Nd O12 Ru4 -","- Cu6 Nd2 O24 Ru8 -","2","0.0416667","","Muller, J; Haouzi, A; Laviron, C; Labeau, M; Joubert, J C","Conductivie electrique et caracterisation cristallographique des composes type perovskite Nd Cu~3~ Ru~x~ Ti~4-x~ O~12~ (1N-methylbromomaleimide-based supramolecular hydrogels.","Soft matter","2025","21","11","2124","2132","10.1039/d4sm01325e","","x-ray","0.71073","MoKα","","0.0481","0.0353","","","0.0712","0.0752","","","","","","1.028","","","","has coordinates","299155","2025-04-05","04:26:12","" "1574926","8.7109","0.0005","7.5919","0.0005","33.2317","0.0018","90","","91.246","0.005","90","","2197.2","0.2","295","3","295","3","","","","","","","","5","C 1 2 1","C 2y","5","","C19H40NO2Cl","","- C19 H40 Cl N O2 -","- C19 H40 Cl N O2 -","- C76 H160 Cl4 N4 O8 -","4","1","","Choudhury, Suman Kumar; Chinapaka, Ravindar; Manasa, Konga; Swamy, Musti J.","Synthesis and characterization of long chain O-acyl-L-alaninols and investigation of drug encapsulation and release by equimolar O-myristoyl-L-alaninol/SDS catanionic liposomes.","Soft matter","2025","21","28","5728","5742","10.1039/d5sm00499c","","x-ray","0.71073","MoKα","","0.0906","0.0652","","","0.1546","0.1857","","","","","","0.993","","","","has coordinates","301644","2025-08-05","22:34:45","" "1574927","9.0685","0.0005","7.4023","0.0004","34.118","0.003","90","","95.383","0.006","90","","2280.2","0.3","297.6","0.5","297.6","0.5","","","","","","","","5","C 1 2 1","C 2y","5","","C20H42NO2Cl","","- C40 H84 Cl2 N2 O4 -","- C40 H84 Cl2 N2 O4 -","- C80 H168 Cl4 N4 O8 -","2","0.5","","Choudhury, Suman Kumar; Chinapaka, Ravindar; Manasa, Konga; Swamy, Musti J.","Synthesis and characterization of long chain O-acyl-L-alaninols and investigation of drug encapsulation and release by equimolar O-myristoyl-L-alaninol/SDS catanionic liposomes.","Soft matter","2025","21","28","5728","5742","10.1039/d5sm00499c","","x-ray","0.71073","MoKα","","0.1005","0.0638","","","0.1446","0.166","","","","","","0.965","","","","has coordinates","301644","2025-08-05","22:34:45","" "2002114","5.0375","","5.0375","","22.33","","90","","90","","120","","490.7","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Barium dinickel(II) divanadate(V)","","- Ba Ni2 O8 V2 -","- Ba Ni2 O8 V2 -","- Ba3 Ni6 O24 V6 -","3","0.166667","","Wichmann, R; Muller-Buschbaum, H","Zur Kenntnis von Ba Ni~2~ V~2~ O~8~","Revue de Chimie Minerale","1984","21","","824","829","","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00","" "2310067","3.6787","","3.6787","","3.6787","","90","","90","","90","","49.783","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ag Yb -","- Ag Yb -","- Ag Yb -","1","0.0208333","","Baenziger, N.C.; Humphreys, J.E.; Gordon, R.O.; Moriarty, J.L.","X-ray examination of some rare-earth-containing binary alloy systems","Acta Crystallographica (1,1948-23,1967)","1966","21","","840","841","10.1107/S0365110X6600402X","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310080","3.5634","","3.5634","","3.5634","","90","","90","","90","","45.247","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Au Yb -","- Au Yb -","- Au Yb -","1","0.0208333","","Moriarty, J.L.jr.; Baenziger, N.C.; Humphreys, J.E.; Gordon, R.O.","X-ray examination of some rare-earth-containing binary alloy systems","Acta Crystallographica (1,1948-23,1967)","1966","21","","840","841","10.1107/S0365110X6600402X","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310226","4.456","","7.039","","7.641","","90","","90","","90","","239.666","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ho Zn2 -","- Ho Zn2 -","- Ho4 Zn8 -","4","0.25","","Michel, D.J.; Ryba, E.","The crystal structure of Ho Zn2","Acta Crystallographica (1,1948-23,1967)","1966","21","","818","818","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310229","4.059","","4.059","","4.059","","90","","90","","90","","66.874","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Nd Pt3 -","- Nd Pt3 -","- Nd Pt3 -","1","0.0208333","","Moriarty, J.L.; Humphreys, J.E.; Gordon, R.O.; Baenziger, N.C.","X-ray examination of some rare-earth-containing binary alloy systems","Acta Crystallographica (1,1948-23,1967)","1966","21","","840","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310230","4.0633","","4.0633","","4.0633","","90","","90","","90","","67.087","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pt3 Sm -","- Pt3 Sm -","- Pt3 Sm -","1","0.0208333","","Moriarty, J.L.; Gordon, R.O.; Humphreys, J.E.; Baenziger, N.C.","X-ray examination of some rare-earth-containing binary alloy systems","Acta Crystallographica (1,1948-23,1967)","1966","21","","840","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310231","4.0839","","4.0839","","4.0839","","90","","90","","90","","68.112","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pt3 Tb -","- Pt3 Tb -","- Pt3 Tb -","1","0.0208333","","Moriarty, J.L.; Gordon, R.O.; Humphreys, J.E.; Baenziger, N.C.","X-ray examination of some rare-earth-containing binary alloy systems","Acta Crystallographica (1,1948-23,1967)","1966","21","","840","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310232","7.556","","7.556","","7.556","","90","","90","","90","","431.396","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Pt2 Tm -","- Pt2 Tm -","- Pt16 Tm8 -","8","0.0416667","","Moriarty, J.L.; Humphreys, J.E.; Gordon, R.O.; Baenziger, N.C.","X-ray examination of some rare-earth-containing binary alloy systems","Acta Crystallographica (1,1948-23,1967)","1966","21","","840","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310233","4.0455","","4.0455","","4.0455","","90","","90","","90","","66.209","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pt3 Yb -","- Pt3 Yb -","- Pt3 Yb -","1","0.0208333","","Moriarty, J.L.; Humphreys, J.E.; Baenziger, N.C.; Gordon, R.O.","X-ray examination of some rare-earth-containing binary alloy systems","Acta Crystallographica (1,1948-23,1967)","1966","21","","840","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310234","4.0745","","4.0745","","4.0745","","90","","90","","90","","67.643","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- La Pt3 -","- La Pt3 -","- La Pt3 -","1","0.0208333","","Moriarty, J.L.; Humphreys, J.E.; Gordon, R.O.; Baenziger, N.C.","X-ray examination of some rare-earth-containing binary alloy systems","Acta Crystallographica (1,1948-23,1967)","1966","21","","840","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310241","8.582","","8.582","","12.462","","90","","90","","120","","794.869","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Fe7 Pr -","- Fe7.00286 Pr0.998571 -","- Fe49.02 Pr6.99 -","7","0.194444","","Ray, A.E.","The crystal structures of Ce Fe7, Pr Fe7, Nd Fe7, and Sm Fe7","Acta Crystallographica (1,1948-23,1967)","1966","21","","426","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310262","5.186","","5.186","","8.566","","90","","90","","120","","199.514","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Lu Mn5 -","- Lu Mn5 -","- Lu2 Mn10 -","2","0.166667","","Wang, F.E.; Gilfrich, J.V.","The crystal structures of Lu Mn5 and the R Mn12 compounds (where R= Gd, Tb, Dy, Ho, Er and Tm)","Acta Crystallographica (1,1948-23,1967)","1966","21","","476","481","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310296","4.215","","4.215","","4.215","","90","","90","","90","","74.885","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Cd3 Nb -","- Cd3 Nb -","- Cd3 Nb -","1","0.0208333","","Holleck, H.","Die Phase Nb Cd3","Acta Crystallographica (1,1948-23,1967)","1966","21","","451","451","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310308","4.718","","4.718","","4.718","","90","","90","","90","","105.02","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Eu Tl3 -","- Eu Tl3 -","- Eu Tl3 -","1","0.0208333","","Moriarty, J.L.; Humphreys, J.E.; Gordon, R.O.; Baenziger, N.C.","X-ray examination of some rare-earth-containing binary alloy systems","Acta Crystallographica (1,1948-23,1967)","1966","21","","840","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310309","4.162","","4.162","","4.162","","90","","90","","90","","72.095","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ce Pt3 -","- Ce Pt3 -","- Ce Pt3 -","1","0.0208333","","Moriarty, J.L.jr.; Humphreys, J.E.; Gordon, R.O.; Baenziger, N.C.","X-ray examination of some rare-earth-containing binary alloy systems","Acta Crystallographica (1,1948-23,1967)","1966","21","","840","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310319","8.67","","8.67","","4.76","","90","","90","","90","","357.804","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Dy Mn12 -","- Dy Mn12 -","- Dy2 Mn24 -","2","0.0625","","Wang, F.E.; Gilfrich, J.V.","The crystal structures of Lu Mn6 and R Mn12 compounds (where R= Gd, Tb, Dy, Ho, Er and Tm)","Acta Crystallographica (1,1948-23,1967)","1966","21","","476","481","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310332","5.759","","5.759","","9.903","","90","","90","","120","","284.441","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Zn2 Mo3 O8","","- Mo3 O8 Zn2 -","- Mo3 O8 Zn2 -","- Mo6 O16 Zn4 -","2","0.166667","","Ansell, G.B.; Katz, L.","A refinement of the crystal structure of zinc molybdenum(IV) oxide, Zn2 Mo3 O8","Acta Crystallographica (1,1948-23,1967)","1966","21","","482","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","148394","2020-10-21","18:00:00","" "2310337","9.65","","9.73","","6.47","","90","","104.9","","90","","587.071","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- N4 Se4 -","- N4 Se4 -","- N16 Se16 -","4","0.5","","Baernighausen, H.; Jander, J.; von Volkmann, T.","Die Kristallstruktur von Tetrastickstofftetraselenid N4 Se4","Acta Crystallographica (1,1948-23,1967)","1966","21","","571","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310340","9.84","","9.84","","9.84","","90","","90","","90","","952.764","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(N H4)2 Pd Cl6","","- Cl6 H8 N2 Pd -","- Cl6 H8 N2 Pd -","- Cl24 H32 N8 Pd4 -","4","0.0208333","","Bell, J. D.; Hall, D.; Waters, T. N.","The similarity of atomic radius of palladium(II) and palladium(IV)","Acta Crystallographica (1,1948-23,1967)","1966","21","","440","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00","" "2310341","9.398","","9.398","","9.398","","23.78","","23.78","","23.78","","118.555","","","","","","","","","","","","","2","R -3 m :R","-P 3* 2","166","","Th3 N4","","- N4 Th3 -","- N4 Th3 -","- N4 Th3 -","1","0.0833333","","Benz, R.; Zachariasen, W.H.","Th3 N4 crystal structure and comparison with that of Th2 N2 O","Acta Crystallographica (1,1948-23,1967)","1966","21","","838","840","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "2310348","3.633","","3.633","","6.036","","90","","90","","90","","79.667","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","U C2","","- C2 U -","- C2 U -","- C4 U2 -","2","0.0625","","Bowman, A.L.; Arnold, G.P.; Witteman, W.G.; Nereson, N.G.; Wallace, T.C.","The crystal structures of U C2","Acta Crystallographica (1,1948-23,1967)","1966","21","","670","671","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310359","14.884","","14.884","","6.547","","90","","90","","90","","1450.38","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Li U F5","","- F5 Li U -","- F5 Li U -","- F80 Li16 U16 -","16","1","","Brunton, G.","The Crystal Structure of Li U F5","Acta Crystallographica (1,1948-23,1967)","1966","21","","814","817","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310368","12.352","","12.352","","12.352","","90","","90","","90","","1884.57","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Cs Al (S O4)2 (H2 O)12","","- Al Cs H24 O20 S2 -","- Al Cs H24 O20 S2 -","- Al4 Cs4 H96 O80 S8 -","4","0.166667","","Cromer, D.T.; Kay, M.I.; Larson, A.C.","Refinement of the alum structures. I. X-ray and neutron diffraction study of Cs Al (S O4)2 * (H2 O)12, a beta Alum","Acta Crystallographica (1,1948-23,1967)","1966","21","","383","389","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00","" "2310373","10.34","","14.33","","3.91","","90","","99.03","","90","","572.173","","","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","U O3","","- O3 U -","- O3 U -","- O30 U10 -","10","5","","Debets, P.C.","The Structure of beta - U O3","Acta Crystallographica (1,1948-23,1967)","1966","21","","589","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310375","8.56","","6.87","","12.84","","90","","90","","90","","755.084","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","S (C N)2","","- C2 N2 S -","- C2 N2 S -","- C16 N16 S8 -","8","1","","Emerson, K.","The Crystal and Molecular Structure of Sulfur Dicyanide","Acta Crystallographica (1,1948-23,1967)","1966","21","","970","974","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00","" "2310381","9.611","","9.611","","9.611","","90","","90","","90","","887.781","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Sr (Mn O4)2 (H2 O)3","","- H6 Mn2 O11 Sr -","- H6 Mn2 O11 Sr -","- H24 Mn8 O44 Sr4 -","4","0.333333","","Ferrari, A.; Braibanti, A.; Bigliardi, G.; Lanfredi, A.M.M.","The Crystal Structure of Strontium Permanganate Trihydrate","Acta Crystallographica","1966","21","5","681","685","10.1107/s0365110x66003700","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00","" "2310382","13.814","","13.814","","5.759","","90","","90","","90","","1098.97","","","","","","","","","","","","","6","I 4/m","-I 4","87","","Na4 (Cu (N H3)4) (Cu (S2 O3)2)2","","- Cu3 H12 N4 Na4 O12 S8 -","- Cu3 N4 Na4 O12 S8 -","- Cu6 N8 Na8 O24 S16 -","2","0.125","","Ferrari, A.; Braibanti, A.; Tiripicchio, A.","The crystal structure of tetrasodium tetramminecopper(II) di-catena-di-mue-thiosulphato-cuprate(I)","Acta Crystallographica (1,1948-23,1967)","1966","21","","605","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310419","7.27","","5.7","","4.67","","99.8","","98","","99.7","","185.142","","","","","","","","","","","","","3","P -1","-P 1","2","","H5 As3 O10","","- As3 H5 O10 -","- As3 H5 O10 -","- As3 H5 O10 -","1","0.5","","Jost, K.H.; Worzala, H.; Thilo, E.","Die Struktur des As2 O5 (H2 O)1.6666","Acta Crystallographica (1,1948-23,1967)","1966","21","","808","813","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310420","7.96","","9.61","","6.67","","70.1","","104.3","","122.5","","403.3","","","","","","","","","","","","","4","P -1","-P 1","2","","Na2 (H2 Si O4) (H2 O)4","","- H10 Na2 O8 Si -","- Na2 O8 Si -","- Na4 O16 Si2 -","2","1","","Jost, K.H.; Hilmer, W.","Die Struktur von Na2 H2 Si O4 (H2 O)4","Acta Crystallographica (1,1948-23,1967)","1966","21","","583","589","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310421","5.478","","5.478","","5.17","","90","","90","","120","","134.359","","","","","","","","","","","","","3","P 63","P 6c","173","","Li (I O3)","","- I Li O3 -","- I Li O3 -","- I2 Li2 O6 -","2","0.333333","","de Boer, J.L.; van Bolhuis, F.; Olthof-Hazekamp, R.; Vos, A.","Reinvestigation of the crystal structure of lithium iodate","Acta Crystallographica (1,1948-23,1967)","1966","21","","841","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310422","5.67","","10.25","","3.41","","90","","91.4","","90","","198.122","","","","","","","","","","","","","3","I 1 m 1","I -2y","8","","Cd (O H)2","","- Cd H2 O2 -","- Cd O2 -","- Cd4 O8 -","4","1","","de Wolff, P.M.","The crystal structure of gamma- Cd (O H)2","Acta Crystallographica (1,1948-23,1967)","1966","21","","432","433","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310423","7.476","","7.476","","6.039","","90","","90","","120","","292.304","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs2 Ce Cl6","","- Ce Cl6 Cs2 -","- Ce Cl6 Cs2 -","- Ce Cl6 Cs2 -","1","0.0833333","","Kaatz, T.; Marcovich, M.","The crystal structure of the compound Cs2 Ce Cl6","Acta Crystallographica (1,1948-23,1967)","1966","21","","1011","1011","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310439","5.828","","25.86","","11.002","","90","","90","","90","","1658.13","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Cd (N O3)2 (H2 O)4","","- Cd H8 N2 O10 -","- Cd H8 N2 O10 -","- Cd8 H64 N16 O80 -","8","0.5","","Matkovic, B.; Ribar, B.; Zelenko, B.; Peterson, S.W.","Refinement of the Structure of Cd (N O3 2 (H2 O)4","Acta Crystallographica (1,1948-23,1967)","1966","21","","719","725","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00","" "2310451","3.67","","3.67","","3.67","","90","","90","","90","","49.431","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Tl Tm -","- Tl Tm -","- Tl Tm -","1","0.0208333","","Moriarty, J.L.; Humphreys, J.E.","X-ray examination of some rare-earth-containing binary alloy systems","Acta Crystallographica (1,1948-23,1967)","1966","21","","840","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310452","4.679","","4.679","","4.679","","90","","90","","90","","102.438","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Tb Tl3 -","- Tb Tl3 -","- Tb Tl3 -","1","0.0208333","","Moriarty, J.L.; Humphreys, J.E.; Gordon, R.O.; Baenziger, N.C.","X-ray examination of some rare-earth-containing binary alloy systems","Acta Crystallographica (1,1948-23,1967)","1966","21","","840","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310463","8.811","","8.811","","8.811","","90","","90","","90","","684.031","","","","","","","","","","","","","4","P -4 3 m","P -4 2 3","215","","P4 O6 (Ni (C O)3)4","","- C12 Ni4 O18 P4 -","- C12 Ni4 O18 P4 -","- C12 Ni4 O18 P4 -","1","0.0416667","","Pierron, E.D.; Wheatley, P.J.; Riess, J.G.","Structure of P, P(I), P(II), P(III) - Tetrakistricarbonylnickel-tetraphosphorus hexaoxide","Acta Crystallographica (1,1948-23,1967)","1966","21","","288","289","","","","","","","","","","","","","","","","","","","","","","has coordinates","149743","2020-10-21","18:00:00","" "2310468","12.483","","6.66","","9.195","","90","","111.63","","90","","710.613","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ba S2 O6 (H2 O)2","","- Ba H4 O8 S2 -","- Ba H4 O8 S2 -","- Ba4 H16 O32 S8 -","4","0.5","","Rausell-Colom, J. A.; Garcia-Blanco, S.","The Crystal Structure of Barium Dithionate Dihydrate, Ba S2 O6 (H2 O)2","Acta Crystallographica (1,1948-23,1967)","1966","21","5","672","675","10.1107/S0365110X66003682","","","","","","","","","","","","","","","","","","","","","has coordinates","189185","2020-10-21","18:00:00","" "2310475","9.822","","3.824","","7.036","","90","","118.84","","90","","231.49","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Th Ti2 O6","","- O6 Th Ti2 -","- O6 Th Ti2 -","- O12 Th2 Ti4 -","2","0.25","","Ruh, R.; Wadsley, A.D.","The crystal structure of Th Ti2 O6 (Brannerite)","Acta Crystallographica (1,1948-23,1967)","1966","21","","974","978","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310481","16.36","","13.946","","9.978","","90","","90","","90","","2276.55","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(N H3)5 Co O2 Co (N H3)5 S O4 (H S O4)3","","- Co2 H33 N10 O18 S4 -","- Co2 H33 N10 O18 S4 -","- Co8 H132 N40 O72 S16 -","4","1","","Schaefer, W.P.; Marsh, G.E.","The Structure of Decammine - mue-peroxo-dicobalt Monosulfate Tris(bisulfate)","Acta Crystallographica (1,1948-23,1967)","1966","21","","735","743","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00","" "2310497","16.834","","10.156","","10.921","","90","","93.13","","90","","1864.33","","","","","","","","","","","","","4","I 1 2 1","I 2y","5","","Ca3 (V10 O28) (H2 O)17","","- Ca3 H34 O45 V10 -","- Ca3 O45 V10 -","- Ca6 O90 V20 -","2","0.5","","Swallow, A.G.; Ahmed, F.R.; Barnes, W.H.","The crystal structure of pascoite, Ca3 V10 O28 (H2 O)17","Acta Crystallographica (1,1948-23,1967)","1966","21","","397","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310498","6.58","","6.767","","6.143","","90","","121.73","","90","","232.646","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(N H4) (O O H)","","- H5 N O2 -","- N O2 -","- N4 O8 -","4","1","","Tegenfeldt, J.; Olovsson, I.","Hydrogen bond studies. X. The crystal structure of ammonium hydrogenperoxide","Acta Crystallographica (1,1948-23,1967)","1966","21","","934","941","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310502","14.547","","8.77","","4.446","","90","","90","","90","","567.208","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Te2 O4) (H N O3)","","- H N O7 Te2 -","- N O7 Te2 -","- N4 O28 Te8 -","4","0.5","","Twink, L.N.; Carpenter, G.B.","The crystal structure of basic tellurium nitrate, Te2 O4 (H N O3)","Acta Crystallographica (1,1948-23,1967)","1966","21","","578","583","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310724","29.74","","3.824","","25.97","","90","","92.3","","90","","2951.08","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","W4 Nb26 O77","","- Nb26 O77 W4 -","- Nb26.0008 O77 W3.9992 -","- Nb52.0016 O154 W7.9984 -","2","0.5","","Andersson, S.; Mumme, W.G.; Wadsley, A.D.","Multiple phase formation in the binary system Nb2 O5-W O3. V. The structure of W4 Nb26 O77 an ordered intergrowth of the adjoining compounds W Nb12 O33 and W3 Nb14 O44","Acta Crystallographica (1,1948-23,1967)","1966","21","","802","808","","","","","","","","","","","","","","","","","","","","","","has coordinates","160657","2020-10-21","18:00:00","" "2310910","9.153","","9.153","","9.153","","90","","90","","90","","766.815","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Pr4 Ge3","","- Ge3 Pr4 -","- Ge3 Pr4 -","- Ge12 Pr16 -","4","0.0833333","","Hohnke, D.; Parthe, E.","The anti-Th3P4 structure type for rare earth germanides, antimonides and bismuthides","Acta Crystallographica (1,1948-23,1967)","1966","21","","435","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","166707","2020-10-21","18:00:00","" "2310911","9.458","","9.458","","9.458","","90","","90","","90","","846.054","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Pr4 Sb3 -","- Pr4 Sb3 -","- Pr16 Sb12 -","4","0.0833333","","Hohnke, D.; Parthe, E.","The anti-Th3P4 structure type for rare earth germanides, antimonides and bismuthides","Acta Crystallographica (1,1948-23,1967)","1966","21","","435","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310912","9.159","","9.159","","9.159","","90","","90","","90","","768.324","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Tb4 Sb3","","- Sb3 Tb4 -","- Sb3 Tb4 -","- Sb12 Tb16 -","4","0.0833333","","Hohnke, D.; Parthe, E.","The anti-Th3P4 structure type for rare earth germanides, antimonides and bismuthides","Acta Crystallographica (1,1948-23,1967)","1966","21","","435","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","166709","2020-10-21","18:00:00","" "2310913","9.072","","9.072","","9.072","","90","","90","","90","","746.636","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Ho4 Sb3 -","- Ho4 Sb3 -","- Ho16 Sb12 -","4","0.0833333","","Hohnke, D.; Parthe, E.","The anti-Th3P4 structure type for rare earth germanides, antimonides and bismuthides","Acta Crystallographica (1,1948-23,1967)","1966","21","","435","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310914","9.406","","9.406","","9.406","","90","","90","","90","","832.175","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Nd4 Sb3 -","- Nd4 Sb3 -","- Nd16 Sb12 -","4","0.0833333","","Hohnke, D.; Parthe, E.","The anti-Th3P4 structure type for rare earth germanides, antimonides and bismuthides","Acta Crystallographica (1,1948-23,1967)","1966","21","","435","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310949","7.381","","7.381","","7.381","","90","","90","","90","","402.111","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Pt2 Yb -","- Pt2 Yb -","- Pt16 Yb8 -","8","0.0416667","","Moriarty, J.L.; Humphreys, J.E.; Baenziger, N.C.; Gordon, R.O.","X-ray examination of some rare-earth-containing binary alloy systems","Acta Crystallographica (1,1948-23,1967)","1966","21","","840","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310950","4.9296","","4.9296","","4.9296","","90","","90","","90","","119.794","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- In Nd3 -","- In Nd3 -","- In Nd3 -","1","0.0208333","","Moriarty, J.L.; Humphreys, J.E.; Gordon, R.O.; Baenziger, N.C.","X-ray examination of some rare-earth-containing binary alloy systems","Acta Crystallographica (1,1948-23,1967)","1966","21","","840","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310951","4.9636","","4.9636","","4.9636","","90","","90","","90","","122.29","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- In Pr3 -","- In Pr3 -","- In Pr3 -","1","0.0208333","","Moriarty, J.L.; Baenziger, N.C.; Gordon, R.O.; Humphreys, J.E.","X-ray examination of some rare-earth-containing binary alloy systems","Acta Crystallographica (1,1948-23,1967)","1966","21","","840","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310952","4.5896","","4.5896","","4.5896","","90","","90","","90","","96.677","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- In3 Tb -","- In3 Tb -","- In3 Tb -","1","0.0208333","","Moriarty, J.L.; Humphreys, J.E.; Baenziger, N.C.; Gordon, R.O.","X-ray examination of some rare-earth-containing binary alloy systems","Acta Crystallographica (1,1948-23,1967)","1966","21","","840","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310953","3.739","","3.739","","3.739","","90","","90","","90","","52.272","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- In Tm -","- In Tm -","- In Tm -","1","0.0208333","","Moriarty, J.L.; Baenziger, N.C.; Humphreys, J.E.; Gordon, R.O.","X-ray examination of some rare-earth-containing binary alloy systems","Acta Crystallographica (1,1948-23,1967)","1966","21","","840","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310954","4.561","","4.561","","4.561","","90","","90","","90","","94.881","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- In3 Tm -","- In3 Tm -","- In3 Tm -","1","0.0208333","","Moriarty, J.L.; Humphreys, J.E.; Gordon, R.O.; Baenziger, N.C.","X-ray examination of some rare-earth-containing binary alloy systems","Acta Crystallographica (1,1948-23,1967)","1966","21","","840","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310955","4.6164","","4.6164","","4.6164","","90","","90","","90","","98.381","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- In3 Yb -","- In3 Yb -","- In3 Yb -","1","0.0208333","","Moriarty, J.L.; Humphreys, J.E.; Gordon, R.O.; Baenziger, N.C.","X-ray examination of some rare-earth-containing binary alloy systems","Acta Crystallographica (1,1948-23,1967)","1966","21","","840","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2311041","7.688","","7.539","","10.515","","90","","136.06","","90","","422.899","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","W O3","","- O3 W -","- O3 W -","- O24 W8 -","8","2","","Loopstra, B.O.; Boldrini, P.","Neutron diffraction investigation of W O3","Acta Crystallographica (1,1948-23,1967)","1966","21","","158","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2311054","4.6554","","4.6554","","4.6554","","90","","90","","90","","100.895","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Tl3 Tm -","- Tl3 Tm -","- Tl3 Tm -","1","0.0208333","","Moriarty, J.L.; Humphreys, J.E.; Gordon, R.O.; Baenziger, N.C.","X-ray examination of some rare-earth-containing binary alloy systems","Acta Crystallographica (1,1948-23,1967)","1966","21","","840","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "3000048","3.080972","","3.080972","","26.778308","","90","","90","","120","","220.135","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Zinc Aluminum Hydroxide Nitrate Hydrate","Hydrotalcite polytype_3R1","- Al0.84 N1.69 O35.24 Zn2.16 -","- Al0.843 N1.686 O35.244 Zn2.157 -","- Al0.843 N1.686 O35.244 Zn2.157 -","1","0.0277778","","Conterosito, Eleonora; Palin, Luca; Antonioli, Diego; Viterbo, Davide; Mugnaioli, Enrico; Kolb, Ute; Perioli, Luana; Milanesio, Marco; Gianotti, Valentina","Structural Characterisation of Complex Layered Double Hydroxides and TGA-GC-MS Study on Thermal Response and Carbonate Contamination in Nitrate- and Organic-Exchanged Hydrotalcites","Chemistry - A European Journal","2015","21","42","14975","14986","10.1002/chem.201500450","","","","","","","","","","","","","","","","","","","","","has coordinates","275235","2022-05-09","00:06:11","" "4000965","8.129","0.003","44.017","0.018","8.57","0.004","90","","94.802","0.007","90","","3056","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(hexyl)2NPhPhDCDHF (5)","","","- C34 H40 N4 O -","- C34 H40 N4 O -","- C136 H160 N16 O4 -","4","2","","Lu, Zhikuan; Liu, Na; Lord, Samuel J.; Bunge, Scott D.; Moerner, W. E.; Twieg, Robert J.","Bright, Red Single-Molecule Emitters: Synthesis and Properties of Environmentally Sensitive Dicyanomethylenedihydrofuran (DCDHF) Fluorophores with Bisaromatic Conjugation.","Chemistry of materials : a publication of the American Chemical Society","2009","21","5","797","","10.1021/cm801783f","","","0.71073","MoKα","","0.1423","0.1064","","","0.2672","0.2934","","","","","","1.072","","","","has coordinates","301811","2025-08-19","19:33:34","" "4000966","8.5644","0.0012","11.8532","0.0017","15.018","0.002","77.957","0.002","83.968","0.002","74.803","0.002","1436.8","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","(hexyl)2NThPhDCDHF (6)","","","- C32 H38 N4 O S -","- C32 H38 N4 O S -","- C64 H76 N8 O2 S2 -","2","1","","Lu, Zhikuan; Liu, Na; Lord, Samuel J.; Bunge, Scott D.; Moerner, W. E.; Twieg, Robert J.","Bright, Red Single-Molecule Emitters: Synthesis and Properties of Environmentally Sensitive Dicyanomethylenedihydrofuran (DCDHF) Fluorophores with Bisaromatic Conjugation.","Chemistry of materials : a publication of the American Chemical Society","2009","21","5","797","","10.1021/cm801783f","","","0.71073","MoKα","","0.0398","0.0324","","","0.0969","0.1084","","","","","","0.766","","","","has coordinates","301811","2025-08-19","19:33:34","" "4000967","11.852","0.002","16.975","0.004","16.995","0.003","90","","103.695","0.004","90","","3322","1.1","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(hexyl)2NPhThPhDCDHF (21)","","","- C38 H42 N4 O S -","- C38 H42 N4 O S -","- C152 H168 N16 O4 S4 -","4","1","","Lu, Zhikuan; Liu, Na; Lord, Samuel J.; Bunge, Scott D.; Moerner, W. E.; Twieg, Robert J.","Bright, Red Single-Molecule Emitters: Synthesis and Properties of Environmentally Sensitive Dicyanomethylenedihydrofuran (DCDHF) Fluorophores with Bisaromatic Conjugation.","Chemistry of materials : a publication of the American Chemical Society","2009","21","5","797","","10.1021/cm801783f","","","0.71073","MoKα","","0.1041","0.0555","","","0.1419","0.1781","","","","","","1.003","","","","has coordinates","301811","2025-08-19","19:33:34","" "4000968","7.8416","0.0004","4.8947","0.0002","29.7907","0.0012","90","","97.227","0.003","90","","1134.35","0.09","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 F2 N2 O4 -","- C30 H20 F2 N2 O4 -","- C60 H40 F4 N4 O8 -","2","0.5","","Jung, Byung Jun; Sun, Jia; Lee, Taegweon; Sarjeant, Amy; Katz, Howard E.","Low-Temperature-Processible, Transparent, and Air-Operable n-Channel Fluorinated Phenylethylated Naphthalenetetracarboxylic Diimide Semiconductors Applied to Flexible Transistors","Chemistry of Materials","2009","21","1","94","","10.1021/cm802281k","","","0.71073","MoKα","","0.0787","0.0594","","","0.1363","0.1442","","","","","","1.164","","","","has coordinates","301811","2025-08-19","19:33:34","" "4000969","6.622","0.0001","22.2242","0.0004","7.8567","0.0002","90","","92.006","0.002","90","","1155.55","0.04","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 F4 N2 O4 -","- C30 H18 F4 N2 O4 -","- C60 H36 F8 N4 O8 -","2","0.5","","Jung, Byung Jun; Sun, Jia; Lee, Taegweon; Sarjeant, Amy; Katz, Howard E.","Low-Temperature-Processible, Transparent, and Air-Operable n-Channel Fluorinated Phenylethylated Naphthalenetetracarboxylic Diimide Semiconductors Applied to Flexible Transistors","Chemistry of Materials","2009","21","1","94","","10.1021/cm802281k","","","0.71073","MoKα","","0.0559","0.0395","","","0.1053","0.1156","","","","","","1.056","","","","has coordinates","301811","2025-08-19","19:33:34","" "4000970","12.1718","0.0004","12.1718","0.0004","28.197","0.002","90","","90","","120","","3617.8","0.3","298","2","298","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ba3 Cu14.35 Se8.55 Te2.45 -","- Ba3 Cu14.354 Se6.93 Te2.38 -","- Ba18 Cu86.124 Se41.58 Te14.28 -","6","0.166667","","Kuropatwa, Bryan; Cui, Yanjie; Assoud, Abdeljalil; Kleinke, Holger","Crystal Structure and Physical Properties of the New Selenide−Tellurides Ba3Cu17−x(Se,Te)11","Chemistry of Materials","2009","21","1","88","","10.1021/cm802304k","","","0.71073","MoKα","","0.0642","0.063","","","0.1254","0.1259","","","","","","1.177","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000971","12.1897","0.0003","12.1897","0.0003","28.2087","0.0017","90","","90","","120","","3629.9","0.3","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ba3 Cu14.38 Se8.3 Te2.7 -","- Ba3 Cu14.37 Se8.299 Te2.701 -","- Ba18 Cu86.22 Se49.794 Te16.206 -","6","0.166667","","Kuropatwa, Bryan; Cui, Yanjie; Assoud, Abdeljalil; Kleinke, Holger","Crystal Structure and Physical Properties of the New Selenide−Tellurides Ba3Cu17−x(Se,Te)11","Chemistry of Materials","2009","21","1","88","","10.1021/cm802304k","","","0.71073","MoKα","","0.0513","0.0457","","","0.0909","0.0939","","","","","","1.299","","","","has coordinates","176467","2020-10-21","18:00:00","" "4000972","12.2339","0.0003","12.2339","0.0003","28.2819","0.0016","90","","90","","120","","3665.8","0.2","298","2","298","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ba3 Cu15.05 Se7.73 Te3.27 -","- Ba3 Cu15.025 Se7.749 Te3.251 -","- Ba18 Cu90.15 Se46.494 Te19.506 -","6","0.166667","","Kuropatwa, Bryan; Cui, Yanjie; Assoud, Abdeljalil; Kleinke, Holger","Crystal Structure and Physical Properties of the New Selenide−Tellurides Ba3Cu17−x(Se,Te)11","Chemistry of Materials","2009","21","1","88","","10.1021/cm802304k","","","0.71073","MoKα","","0.0416","0.0383","","","0.087","0.0892","","","","","","0.918","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000973","4.7241","0.0002","4.7241","0.0002","4.3862","0.0002","90","","90","","120","","84.773","0.006","293","2","293","2","","","","","","","","2","P 3 1 2","P 3 2","149","","","","- Fe3 N1.08 -","- Fe3 N1.082 -","- Fe6 N2.164 -","2","0.333333","","Niewa, Rainer; Rau, Dieter; Wosylus, Aron; Meier, Katrin; Hanfland, Michael; Wessel, Michael; Dronskowski, Richard; Dzivenko, Dmytro A.; Riedel, Ralf; Schwarz, Ulrich","High-Pressure, High-Temperature Single-Crystal Growth, Ab initio Electronic Structure Calculations, and Equation of State of ε-Fe3N1+x","Chemistry of Materials","2009","21","2","392","","10.1021/cm802721k","","","0.56083","AgKα","","0.0339","0.0189","","","0.0453","0.0556","","","","","","1.129","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000974","4.7241","0.0002","4.7241","0.0002","4.3862","0.0002","90","","90","","120","","84.773","0.006","293","2","293","2","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.2 -","- Fe3 N1.198 -","- Fe6 N2.396 -","2","0.166667","","Niewa, Rainer; Rau, Dieter; Wosylus, Aron; Meier, Katrin; Hanfland, Michael; Wessel, Michael; Dronskowski, Richard; Dzivenko, Dmytro A.; Riedel, Ralf; Schwarz, Ulrich","High-Pressure, High-Temperature Single-Crystal Growth, Ab initio Electronic Structure Calculations, and Equation of State of ε-Fe3N1+x","Chemistry of Materials","2009","21","2","392","","10.1021/cm802721k","","","0.56083","AgKα","","0.0252","0.0157","","","0.0337","0.0377","","","","","","1.188","","","","has coordinates","176467","2020-10-21","18:00:00","" "4000975","11.6147","0.0002","11.6147","0.0002","51.9135","0.0015","90","","90","","120","","6064.9","0.2","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C11 H44 In6 N11 Te9 -","- C10 H38 In6 N10 Te9 -","- C60 H228 In36 N60 Te54 -","6","1","","Zhang, Qichun; Chung, In; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G.","A Polar and Chiral Indium Telluride Featuring Supertetrahedral T2 Clusters and Nonlinear Optical Second Harmonic Generation","Chemistry of Materials","2009","21","1","12","","10.1021/cm8027516","","","0.71073","MoKα","","0.0864","0.0772","","","0.1645","0.1735","","","","","","1.169","","","","has coordinates","288253","2023-12-12","14:36:06","" "4000976","17.6591","0.0017","17.6477","0.0017","42.628","0.004","90","","90","","90","","13285","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C78 H62 Ag B F4 S4 Si -","- C78 H62 Ag B F4 S4 Si -","- C624 H496 Ag8 B8 F32 S32 Si8 -","8","1","","Huang, Guo; Yang, Chen; Xu, Zhengtao; Wu, Haohan; Li, Jing; Zeller, Matthias; Hunter, Allen D.; Chui, Stephen Sin-Yin; Che, Chi-Ming","Shape-Selective Sorption and Fluorescence Sensing of Aromatics in a Flexible Network of Tetrakis[(4-methylthiophenyl)ethynyl]silane and AgBF4","Chemistry of Materials","2009","21","3","541","","10.1021/cm8027687","","","0.71073","MoKα","","0.1044","0.0725","","","0.1913","0.2222","","","","","","1.042","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000977","15.92","0.002","18.508","0.003","6.9299","0.0009","90","","90","","90","","2041.9","0.5","298","","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","3, 9-diphenyl-6, 12-dioxaanthanthrene","","","- C32 H18 O2 -","- C32 H18 O2 -","- C128 H72 O8 -","4","0.5","","Kobayashi, Norihito; Sasaki, Mari; Nomoto, Kazumasa","Stableperi-Xanthenoxanthene Thin-Film Transistors with Efficient Carrier Injection","Chemistry of Materials","2009","21","3","552","","10.1021/cm802826m","","","0.71073","MoKα","","0.1448","0.0505","","","0.108","0.1431","","","","","","0.974","","","","has coordinates","301811","2025-08-19","19:33:34","" "4000978","8.952","0.003","9.036","0.003","11.98","0.01","110.44","0.05","108.64","0.04","97.06","0.03","829.9","0.9","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 F12 Mg O12 -","- C22 H34 F12 Mg O12 -","- C22 H34 F12 Mg O12 -","1","0.5","","Fragalà, Maria E.; Toro, Roberta G.; Rossi, Patrizia; Dapporto, Paolo; Malandrino, Graziella","Synthesis, Characterization, and Mass Transport Properties of a Self-Generating Single-Source Magnesium Precursor for MOCVD of MgF2Films","Chemistry of Materials","2009","21","10","2062","","10.1021/cm802923w","","","0.71069","MoKα","","0.08","0.0773","","","0.2212","0.2338","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00","" "4000979","12.5401","0.0006","35.6519","0.0019","7.0347","0.0004","90","","90","","90","","3145.1","0.3","295","2","295","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C14 H24 O22 S2 Yb4 -","- C14 H24 O22 S2 Yb4 -","- C56 H96 O88 S8 Yb16 -","4","0.25","","Gándara, Felipe; Puebla, Enrique Gutiérrez; Iglesias, Marta; Proserpio, Davide M.; Snejko, Natalia; Monge, M. Ángeles","Controlling the Structure of Arenedisulfonates toward Catalytically Active Materials","Chemistry of Materials","2009","21","4","655","","10.1021/cm8029517","","","0.71073","MoKα","","0.0947","0.0719","","","0.1883","0.2007","","","","","","1.024","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000980","7.3843","0.0008","7.8665","0.0008","13.7366","0.0015","86.119","0.002","86.097","0.002","86.398","0.002","792.9","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 O10 S2 Yb -","- C14 H9 O10 S2 Yb -","- C28 H18 O20 S4 Yb2 -","2","1","","Gándara, Felipe; Puebla, Enrique Gutiérrez; Iglesias, Marta; Proserpio, Davide M.; Snejko, Natalia; Monge, M. Ángeles","Controlling the Structure of Arenedisulfonates toward Catalytically Active Materials","Chemistry of Materials","2009","21","4","655","","10.1021/cm8029517","","","0.71073","MoKα","","0.0678","0.056","","","0.1291","0.1347","","","","","","1.039","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000981","56.717","0.006","4.1874","0.0005","11.1892","0.0011","90","","94.912","0.003","90","","2647.6","0.5","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C8-BSBS","C8-BSBS","","- C30 H40 Se2 -","- C30 H40 Se2 -","- C120 H160 Se8 -","4","0.5","","Izawa, Takafumi; Miyazaki, Eigo; Takimiya, Kazuo","Solution-Processible Organic Semiconductors Based on Selenophene-Containing Heteroarenes, 2,7-Dialkyl[1]benzoselenopheno[3,2-b][1]benzoselenophenes (Cn-BSBSs): Syntheses, Properties, Molecular Arrangements, and Field-Effect Transistor Characteristics","Chemistry of Materials","2009","21","5","903","","10.1021/cm8030126","","","0.71075","MoKα","","0.0886","0.0706","","","0.1918","0.2167","","","","","","1.065","","","","has coordinates","301811","2025-08-19","19:33:34","" "4000982","5.6136","0.0011","7.2956","0.0017","36.003","0.01","90","","92.881","0.01","90","","1472.6","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","C10-BSBS","C10-BSBS","","- C34 H48 Se2 -","- C34 H48 Se2 -","- C68 H96 Se4 -","2","0.5","","Izawa, Takafumi; Miyazaki, Eigo; Takimiya, Kazuo","Solution-Processible Organic Semiconductors Based on Selenophene-Containing Heteroarenes, 2,7-Dialkyl[1]benzoselenopheno[3,2-b][1]benzoselenophenes (Cn-BSBSs): Syntheses, Properties, Molecular Arrangements, and Field-Effect Transistor Characteristics","Chemistry of Materials","2009","21","5","903","","10.1021/cm8030126","","","0.71075","MoKα","","0.0434","0.0342","","","0.0812","0.083","","","","","","1.134","","","","has coordinates","301811","2025-08-19","19:33:34","" "4000983","74.517","0.012","4.4014","0.0007","10.6926","0.0019","90","0.002","94.5","0.003","90","0.002","3496.1","1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C12-BSBS","C12-BSBS","","- C38 H56 Se2 -","- C38 H56 Se2 -","- C152 H224 Se8 -","4","0.5","","Izawa, Takafumi; Miyazaki, Eigo; Takimiya, Kazuo","Solution-Processible Organic Semiconductors Based on Selenophene-Containing Heteroarenes, 2,7-Dialkyl[1]benzoselenopheno[3,2-b][1]benzoselenophenes (Cn-BSBSs): Syntheses, Properties, Molecular Arrangements, and Field-Effect Transistor Characteristics","Chemistry of Materials","2009","21","5","903","","10.1021/cm8030126","","","0.7107","MoKα","","0.0916","0.0688","","","0.1689","0.185","","","","","","0.901","","","","has coordinates","301811","2025-08-19","19:33:34","" "4000984","5.5648","0.0006","7.3316","0.0008","45.334","0.004","90","","93.289","0.003","90","","1846.5","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C14-BSBS","C14-BSBS","","- C42 H64 Se2 -","- C42 H64 Se2 -","- C84 H128 Se4 -","2","0.5","","Izawa, Takafumi; Miyazaki, Eigo; Takimiya, Kazuo","Solution-Processible Organic Semiconductors Based on Selenophene-Containing Heteroarenes, 2,7-Dialkyl[1]benzoselenopheno[3,2-b][1]benzoselenophenes (Cn-BSBSs): Syntheses, Properties, Molecular Arrangements, and Field-Effect Transistor Characteristics","Chemistry of Materials","2009","21","5","903","","10.1021/cm8030126","","","0.71075","MoKα","","0.0756","0.0582","","","0.1433","0.1527","","","","","","1.052","","","","has coordinates","301811","2025-08-19","19:33:34","" "4000985","10.354","0.0012","10.354","0.0012","37.055","0.004","90","","90","","120","","3440.3","0.7","100","1","100","1","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- B2 H8 Mg -","- B2 H8 Mg -","- B60 H240 Mg30 -","30","2.5","","Filinchuk, Yaroslav; Černý, Radovan; Hagemann, Hans","Insight into Mg(BH4)2with Synchrotron X-ray Diffraction: Structure Revision, Crystal Chemistry, and Anomalous Thermal Expansion","Chemistry of Materials","2009","21","5","925","","10.1021/cm803019e","","","0.77029","synchrotron","","0.0445","0.0408","","","0.0929","0.0952","","","","","","1.18","","","","has coordinates","176467","2020-10-21","18:00:00","" "4000986","9.146","0.002","9.965","0.002","17.876","0.004","103.623","0.003","91.975","0.003","116.457","0.003","1399.2","0.5","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 Cl2 Zr -","- C32 H38 Cl2 Zr -","- C64 H76 Cl4 Zr2 -","2","1","","Sun, Luyi; Liu, Jia; Kirumakki, Sharath R.; Schwerdtfeger, Eric D.; Howell, Robert J.; Al-Bahily, Khalid; Miller, Stephen A.; Clearfield, Abraham; Sue, Hung-Jue","Polypropylene Nanocomposites Based on Designed Synthetic Nanoplatelets","Chemistry of Materials","2009","21","6","1154","","10.1021/cm803024e","","","0.71073","MoKα","","0.0577","0.0411","","","0.0935","0.1053","","","","","","1.083","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000987","5.49945","0.00016","5.42638","0.00018","11.3846","0.0005","90","","90","","90","","339.74","0.02","","","","","","","","","","","","4","P 21 a m","P -2 2a","26","","","","- Bi Cs Nb2 O7 -","- Bi Cs Nb2 O7 -","- Bi2 Cs2 Nb4 O14 -","2","0.5","","Goff, Richard J.; Keeble, Dean; Thomas, Pamela A.; Ritter, Clemens; Morrison, Finlay D.; Lightfoot, Philip","Leakage and Proton Conductivity in the Predicted Ferroelectric CsBiNb2O7","Chemistry of Materials","2009","21","7","1296","","10.1021/cm8030895","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000988","5.52598","0.00023","5.4558","0.00025","11.4457","0.0006","90","","90","","90","","345.07","0.03","","","","","","","","","","","","4","P 21 a m","P -2 2a","26","","","","- Bi Cs Nb2 O7 -","- Bi Cs Nb2 O7 -","- Bi2 Cs2 Nb4 O14 -","2","0.5","","Goff, Richard J.; Keeble, Dean; Thomas, Pamela A.; Ritter, Clemens; Morrison, Finlay D.; Lightfoot, Philip","Leakage and Proton Conductivity in the Predicted Ferroelectric CsBiNb2O7","Chemistry of Materials","2009","21","7","1296","","10.1021/cm8030895","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000989","5.55375","0.00031","5.4966","0.00031","11.5086","0.0009","90","","90","","90","","351.32","0.04","","","","","","","","","","","","4","P 21 a m","P -2 2a","26","","","","- Bi Cs Nb2 O7 -","- Bi Cs Nb2 O7 -","- Bi2 Cs2 Nb4 O14 -","2","0.5","","Goff, Richard J.; Keeble, Dean; Thomas, Pamela A.; Ritter, Clemens; Morrison, Finlay D.; Lightfoot, Philip","Leakage and Proton Conductivity in the Predicted Ferroelectric CsBiNb2O7","Chemistry of Materials","2009","21","7","1296","","10.1021/cm8030895","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000990","5.49484","0.00016","5.42153","0.00017","11.3721","0.0004","90","","90","","90","","338.78","0.019","","","","","","","","","","","","4","P 21 a m","P -2 2a","26","","","","- Bi Cs Nb2 O7 -","- Bi Cs Nb2 O7 -","- Bi2 Cs2 Nb4 O14 -","2","0.5","","Goff, Richard J.; Keeble, Dean; Thomas, Pamela A.; Ritter, Clemens; Morrison, Finlay D.; Lightfoot, Philip","Leakage and Proton Conductivity in the Predicted Ferroelectric CsBiNb2O7","Chemistry of Materials","2009","21","7","1296","","10.1021/cm8030895","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000991","14.447","0.0009","12.496","0.0011","14.806","0.0012","70.521","0.004","82.682","0.004","88.718","0.005","2498.8","0.3","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","(MeEDO-TTF)2ReO4","bis-4,5-ethylenedioxy-4'-methyltetrathiafulvalene-perrhenate","","- C18 H16 O8 Re S8 -","- C18 O8 Re S8 -","- C72 O32 Re4 S32 -","4","2","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.0943","0.07","","","0.1665","0.1775","","","","","","1.079","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000992","7.272","0.0005","12.513","0.0013","14.88","0.0014","70.492","0.005","82.574","0.005","89.032","0.006","1265.1","0.2","220","0.2","220","0.2","","","","","","","","5","P -1","-P 1","2","(MeEDO-TTF)2ReO4","bis-4,5-ethylenedioxy-4'-methyltetrathiafulvalene-perrhenate","","- C18 H16 O8 Re S8 -","- C18 O7.96 Re S8 -","- C36 O15.92 Re2 S16 -","2","1","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.0643","0.0537","","","0.1566","0.1619","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000993","7.302","0.0007","12.531","0.0016","14.911","0.0018","70.475","0.006","82.402","0.007","89.078","0.007","1274.1","0.3","260","0.2","260","0.2","","","","","","","","5","P -1","-P 1","2","(MeEDO-TTF)2ReO4","bis-4,5-ethylenedioxy-4'-methyltetrathiafulvalene-perrhenate","","- C18 H16 O8 Re S8 -","- C18 O7.96 Re S8 -","- C36 O15.92 Re2 S16 -","2","1","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.0677","0.0528","","","0.1483","0.1551","","","","","","1.111","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000994","7.332","0.002","12.552","0.003","14.943","0.006","70.452","0.009","82.256","0.018","89.115","0.01","1283.5","0.7","300","0.2","300","2","","","","","","","","5","P -1","-P 1","2","(MeEDO-TTF)2ReO4","bis-4,5-ethylenedioxy-4'-methyltetrathiafulvalene-perrhenate","","- C18 H16 O8 Re S8 -","- C18 O7.96 Re S8 -","- C36 O15.92 Re2 S16 -","2","1","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.0794","0.0585","","","0.1872","0.1993","","","","","","1.106","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000995","8.415","0.0017","21.17","0.004","29.326","0.006","90","","90.6","0.03","90","","5224","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(MeEDO-TTF)2ReO4","(MeEDO-TTF)2ReO4","","- C18 H8 O8 Re S8 -","- C18 O8 Re S8 -","- C144 O64 Re8 S64 -","8","2","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.134","0.0886","","","0.2306","0.2573","","","","","","1.019","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4000996","8.382","0.0005","21.511","0.0014","16.292","0.0019","90","","97.587","0.006","90","","2911.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","(MeEDO-TTF)4HCTMM","(MeEDO-TTF)4HCTMM","","- C46 H32 N6 O8 S16 -","- C46 H32 N6 O8 S16 -","- C92 H64 N12 O16 S32 -","2","0.5","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.137","0.1144","","","0.3257","0.3452","","","","","","1.374","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000997","8.351","0.0008","14.372","0.0014","15.421","0.0019","112.353","0.006","100.095","0.007","96.184","0.006","1654.1","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","(MeEDO-TTF)5(CoCl4)2","(MeEDO-TTF)5(CoCl4)2","","- C45 H40 Cl8 Co2 O10 S20 -","- C45 H40 Cl8 Co2 O10 S20 -","- C45 H40 Cl8 Co2 O10 S20 -","1","1","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.0975","0.0597","","","0.1392","0.1602","","","","","","1.042","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000998","8.383","0.0008","14.457","0.0014","15.359","0.0019","111.965","0.006","99.799","0.007","96.161","0.006","1671.1","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","(MeEDO-TTF)5(MnCl4)2","(MEDO-TTF)5(MnCl4)2","","- C45 H40 Cl8 Mn2 O10 S20 -","- C44.99 H40 Cl8 Mn2 O10 S20 -","- C44.99 H40 Cl8 Mn2 O10 S20 -","1","1","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.0756","0.0562","","","0.1332","0.1453","","","","","","1.043","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000999","10.9878","0.0006","11.279","0.0008","12.8651","0.0009","111.898","0.003","90.934","0.003","97.886","0.002","1461.41","0.17","113","2","113","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H30 -","- C44 H30 -","- C88 H60 -","2","1","","Ye, Shanghui; Liu, Yunqi; Di, Chong-an; Xi, Hongxia; Wu, Weiping; Wen, Yugen; Lu, Kun; Du, Chunyan; Liu, Ying; Yu, Gui","Wide-Energy-Gap Host Materials for Blue Phosphorescent Organic Light-Emitting Diodes","Chemistry of Materials","2009","21","7","1333","","10.1021/cm8032302","","","0.7107","MoKα","","0.0753","0.0578","","","0.1169","0.1258","","","","","","1.107","","","","has coordinates","301811","2025-08-19","19:33:34","" "4001000","22.474","0.002","10.6415","0.001","14.7196","0.0014","90","","90","","90","","3520.3","0.6","113","2","113","2","","","","","","","","2","C m c 21","C 2c -2","36","","","","- C51 H38 -","- C51 H38 -","- C204 H152 -","4","0.5","","Ye, Shanghui; Liu, Yunqi; Di, Chong-an; Xi, Hongxia; Wu, Weiping; Wen, Yugen; Lu, Kun; Du, Chunyan; Liu, Ying; Yu, Gui","Wide-Energy-Gap Host Materials for Blue Phosphorescent Organic Light-Emitting Diodes","Chemistry of Materials","2009","21","7","1333","","10.1021/cm8032302","","","0.7107","MoKα","","0.0375","0.0356","","","0.0841","0.0854","","","","","","1.044","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001001","9.1263","0.0002","9.1263","0.0002","2.9899","0.0001","90","","90","","120","","215.664","0.01","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Bi0.78 Li2 O12 Rh6 -","- Bi0.78 Li2 O12 Rh6 -","- Bi0.78 Li2 O12 Rh6 -","1","0.0833333","","Mizoguchi, Hiroshi; Zakharov, L. N.; Marshall, W. J.; Sleight, A. W.; Subramanian, M. A.","AA′2Rh6O12: A New Family of Rhodium Oxides Exhibiting High Thermopower Coupled with High Electrical Conductivity","Chemistry of Materials","2009","21","6","994","","10.1021/cm803345s","","","0.71073","MoKα","","0.0168","0.0153","","","0.0315","0.032","","","","","","1.193","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001002","9.202","0.003","9.202","0.003","2.987","0.002","90","","90","","120","","219.04","0.18","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Bi0.75 O12 Rh4.92 Sc2.18 -","- Bi0.748 O12 Rh4.926 Sc2.176 -","- Bi0.748 O12 Rh4.926 Sc2.176 -","1","0.0833333","","Mizoguchi, Hiroshi; Zakharov, L. N.; Marshall, W. J.; Sleight, A. W.; Subramanian, M. A.","AA′2Rh6O12: A New Family of Rhodium Oxides Exhibiting High Thermopower Coupled with High Electrical Conductivity","Chemistry of Materials","2009","21","6","994","","10.1021/cm803345s","","","0.71073","MoKα","","0.0212","0.0203","","","0.0527","0.054","","","","","","1.282","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001003","8.9927","0.0004","8.9927","0.0004","3.0604","0.0003","90","","90","","120","","214.33","0.02","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Be Bi0.34 O6 Rh3 -","- Be Bi0.341 O6 Rh3 -","- Be2 Bi0.682 O12 Rh6 -","2","0.166667","","Mizoguchi, Hiroshi; Zakharov, L. N.; Marshall, W. J.; Sleight, A. W.; Subramanian, M. A.","AA′2Rh6O12: A New Family of Rhodium Oxides Exhibiting High Thermopower Coupled with High Electrical Conductivity","Chemistry of Materials","2009","21","6","994","","10.1021/cm803345s","","","0.71073","MoKα","","0.0188","0.0186","","","0.0573","0.0574","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001004","9.129","0.004","9.129","0.004","2.985","0.003","90","","90","","120","","215.4","0.3","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Li2 O12 Pb0.76 Rh6 -","- Li2 O12 Pb0.76 Rh6 -","- Li2 O12 Pb0.76 Rh6 -","1","0.0833333","","Mizoguchi, Hiroshi; Zakharov, L. N.; Marshall, W. J.; Sleight, A. W.; Subramanian, M. A.","AA′2Rh6O12: A New Family of Rhodium Oxides Exhibiting High Thermopower Coupled with High Electrical Conductivity","Chemistry of Materials","2009","21","6","994","","10.1021/cm803345s","","","0.71073","MoKα","","0.0255","0.0197","","","0.0396","0.0413","","","","","","1.111","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001005","8.2783","0.001","8.2783","0.001","8.2783","0.001","90","","90","","90","","567.31","0.12","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","Spinel-gallium-oxonitride","Gallium-oxonitride","","- Ga2.79 N0.76 O3.05 -","- Ga2.79 N0.7624 O3.052 -","- Ga22.32 N6.0992 O24.416 -","8","0.0416667","","Huppertz, Hubert; Hering, Stefanie A.; Zvoriste, Carmen E.; Lauterbach, Stefan; Oeckler, Oliver; Riedel, Ralf; Kinski, Isabel","High-Pressure Synthesis, Electron Energy-Loss Spectroscopy Investigations, and Single Crystal Structure Determination of a Spinel-Type Gallium Oxonitride Ga2.79◻0.21(O3.05N0.76◻0.19)","Chemistry of Materials","2009","21","10","2101","","10.1021/cm803371k","","","0.71073","MoKα","","0.0191","0.0171","","","0.0516","0.0528","","","","","","1.153","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001006","8.8298","0.0008","12.2817","0.0004","14.3159","0.0005","91.086","0.002","103.967","0.002","95.266","0.002","1498.87","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Fe N10 O2 S2 -","- C28 H30 Fe N10 O2 S2 -","- C56 H60 Fe2 N20 O4 S4 -","2","1","","Bonnet, Sylvestre; Molnár, Gábor; Sanchez Costa, José; Siegler, Maxime A.; Spek, Anthony L.; Bousseksou, Azedine; Fu, Wen-Tian; Gamez, Patrick; Reedijk, Jan","Influence of Sample Preparation, Temperature, Light, and Pressure on the Two-Step Spin Crossover Mononuclear Compound [Fe(bapbpy)(NCS)2]","Chemistry of Materials","2009","21","6","1123","","10.1021/cm803414q","","","0.71073","MoKα","","0.0785","0.0464","","","0.086","0.093","","","","","","1.191","","","","has coordinates","301811","2025-08-19","19:33:34","" "4001007","14.0652","0.0002","3.9413","0.0001","6.7477","0.0001","90","","91.283","0.001","90","","373.966","0.012","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K0.05 La0.91 Nb O4.1 -","- K0.05 La0.913 Nb O4.099 -","- K0.2 La3.652 Nb4 O16.396 -","4","1","","Nyman, May; Rodriguez, Mark A.; Alam, Todd M.; Anderson, Travis M.; Ambrosini, Andrea","Aqueous Synthesis and Structural Comparison of Rare Earth Niobates and Tantalates: (La,K,◻)2Nb2O7−x(OH)2and Ln2Ta2O7(OH)2(◻ = vacancy; Ln = La−Sm)","Chemistry of Materials","2009","21","11","2201","","10.1021/cm9001509","powder diffraction","x-ray","0.41317","synchrotron","","","","","","","","0.03372","","1.73","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001008","5.752","0.002","8.88","0.004","13.167","0.005","87.439","0.008","84.837","0.008","86.219","0.008","667.8","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","6,13-dihydro-6,13-diazapentacene","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Tang, Qin; Zhang, Dieqing; Wang, Shenglong; Ke, Ning; Xu, Jianbin; Yu, Jimmy C.; Miao, Qian","A Meaningful Analogue of Pentacene: Charge Transport, Polymorphs, and Electronic Structures of Dihydrodiazapentacene","Chemistry of Materials","2009","21","7","1400","","10.1021/cm9001916","","","0.71073","MoKα","","0.0793","0.0559","","","0.1549","0.1869","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001009","25.0681","0.0008","9.2334","0.0003","23.8407","0.0008","90","","100.205","0.0005","90","","5431","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H30 B2 F24 O6 -","- C60 H30 B2 F24 O6 -","- C240 H120 B8 F96 O24 -","4","0.5","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor","Chemistry of Materials","2009","21","11","2226","","10.1021/cm900242a","","","0.71073","MoKα","","0.0923","0.0541","","","0.1177","0.1399","","","","","","1.027","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4001010","14.9941","0.0004","9.1881","0.0003","15.3393","0.0004","90","","100.575","0.0004","90","","2077.36","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H42 B2 O8 -","- C54 H42 B2 O8 -","- C108 H84 B4 O16 -","2","1","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor","Chemistry of Materials","2009","21","11","2226","","10.1021/cm900242a","","","0.71073","MoKα","","0.0403","0.0383","","","0.1005","0.1027","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001011","15.0896","0.0006","9.2975","0.0003","15.4377","0.0006","90","","100.947","0.0005","90","","2126.43","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H42 B2 O8 -","- C54 H42 B2 O8 -","- C108 H84 B4 O16 -","2","1","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor","Chemistry of Materials","2009","21","11","2226","","10.1021/cm900242a","","","0.71073","MoKα","","0.0538","0.0455","","","0.1125","0.1188","","","","","","1.038","","","","has coordinates","301811","2025-08-19","19:33:34","" "4001012","17.22","0.003","10.4078","0.0017","13.283","0.002","90","","100.181","0.003","90","","2343.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 B O8 -","- C30 H22 B O8 -","- C120 H88 B4 O32 -","4","1","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor","Chemistry of Materials","2009","21","11","2226","","10.1021/cm900242a","","","0.71073","MoKα","","0.0903","0.0669","","","0.165","0.177","","","","","","1.084","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001013","17.324","0.006","10.56","0.003","13.652","0.005","90","","99.007","0.007","90","","2466.7","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 B O8 -","- C30 H22 B O8 -","- C120 H88 B4 O32 -","4","1","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor","Chemistry of Materials","2009","21","11","2226","","10.1021/cm900242a","","","0.71073","MoKα","","0.1417","0.0803","","","0.1988","0.2372","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001014","12.655","0.002","13.72","0.003","18.273","0.003","73.905","0.004","89.524","0.005","80.516","0.005","3004.3","1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H34 B2 F24 O8 -","- C62 H34 B2 F24.009 O8 -","- C124 H68 B4 F48.018 O16 -","2","1","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor","Chemistry of Materials","2009","21","11","2226","","10.1021/cm900242a","","","0.71073","MoKα","","0.0797","0.0489","","","0.1195","0.1383","","","","","","1.013","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4001015","7.1364","0.0004","7.1364","0.0004","11.4687","0.0013","90","","90","","120","","505.83","0.07","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- O12 Rb Se2 V3 -","- O12 Rb Se2 V3 -","- O24 Rb2 Se4 V6 -","2","0.333333","","Chang, Hong Young; Kim, Sang-Hwan; Ok, Kang Min; Halasyamani, P. Shiv","New Polar Oxides: Synthesis, Characterization, Calculations, and Structure−Property Relationships in RbSe2V3O12and TlSe2V3O12","Chemistry of Materials","2009","21","8","1654","","10.1021/cm9002614","","","0.71073","MoKα","","0.0209","0.0189","","","0.0349","0.0353","","","","","","0.99","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001016","7.1248","0.0003","7.1248","0.0003","11.4287","0.0011","90","","90","","120","","502.43","0.06","296","2","296","2","","","","","","","","4","P 63","P 6c","173","","","","- O12 Se2 Tl V3 -","- O12 Se2 Tl V3 -","- O24 Se4 Tl2 V6 -","2","0.333333","","Chang, Hong Young; Kim, Sang-Hwan; Ok, Kang Min; Halasyamani, P. Shiv","New Polar Oxides: Synthesis, Characterization, Calculations, and Structure−Property Relationships in RbSe2V3O12and TlSe2V3O12","Chemistry of Materials","2009","21","8","1654","","10.1021/cm9002614","","","0.71073","MoKα","","0.0311","0.0285","","","0.0716","0.0724","","","","","","1.09","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001017","64.229","0.005","7.6301","0.0005","5.8399","0.0004","90","","92.136","0.004","90","","2860","0.4","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 S2 -","- C34 H38 S2 -","- C136 H152 S8 -","4","0.5","","Liu, Ping; Wu, Yiliang; Pan, Hualong; Li, Yuning; Gardner, Sandra; Ong, Beng S.; Zhu, Shiping","Novel High-Performance Liquid-Crystalline Organic Semiconductors for Thin-Film Transistors","Chemistry of Materials","2009","21","13","2727","","10.1021/cm900265q","","","1.54178","CuKα","","0.1516","0.1094","","","0.2861","0.3278","","","","","","1.017","","","","has coordinates","301811","2025-08-19","19:33:34","" "4001018","26.259","0.005","7.36","0.0015","6.1739","0.0012","90","","94.51","0.03","90","","1189.5","0.4","113","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 S6 -","- C30 H16 S6 -","- C60 H32 S12 -","2","0.5","","Zhang, Lei; Tan, Lin; Wang, Zhaohui; Hu, Wenping; Zhu, Daoben","High-Performance, Stable Organic Field-Effect Transistors Based ontrans-1,2-(Dithieno[2,3-b:3′,2′-d]thiophene)ethene","Chemistry of Materials","2009","21","9","1993","","10.1021/cm900369s","","","0.71073","MoKα","","0.0822","0.0646","","","0.1422","0.1493","","","","","","1.019","","","","has coordinates","301811","2025-08-19","19:33:34","" "4001019","6.0327","0.0012","13.627","0.003","15.26","0.003","107.89","0.03","96.87","0.03","91.74","0.03","1182.3","0.5","113","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H12 S8 -","- C26 H12 S8 -","- C52 H24 S16 -","2","1","","Zhang, Lei; Tan, Lin; Wang, Zhaohui; Hu, Wenping; Zhu, Daoben","High-Performance, Stable Organic Field-Effect Transistors Based ontrans-1,2-(Dithieno[2,3-b:3′,2′-d]thiophene)ethene","Chemistry of Materials","2009","21","9","1993","","10.1021/cm900369s","","","0.71073","MoKα","","0.1319","0.075","","","0.1546","0.1835","","","","","","1.018","","","","has coordinates","301811","2025-08-19","19:33:34","" "4001020","10.485","","10.485","","10.901","","90","","90","","120","","1037.85","","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Cl6 Fe H12 O6 Pt -","- Cl6 Fe H12 O6 Pt -","- Cl18 Fe3 H36 O18 Pt3 -","3","0.166667","","Capobianchi, Aldo; Colapietro, Marcello; Fiorani, Dino; Foglia, Sabrina; Imperatori, Patrizia; Laureti, Sara; Palange, Elia","General Strategy for Direct Synthesis of L10Nanoparticle Alloys from Layered Precursor: The Case of FePt","Chemistry of Materials","2009","21","10","2007","2009","10.1021/cm9003992","","","0.71073","","","0.026","0.026","","0.033","0.033","","","","1.164","1.164","1.164","","","","","has coordinates","218794","2020-10-21","18:00:00","" "4001021","12.544","0.002","6.8773","0.0011","18.322","0.003","90","","101.746","0.003","90","","1547.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N4 Pt -","- C13 H17 N4 Pt -","- C52 H68 N16 Pt4 -","4","1","","Drew, Steven M.; Smith, Lisa I.; McGee, Kari A.; Mann, Kent R.","A Platinum(II) Extended Linear Chain Material That Selectively Uptakes Benzene","Chemistry of Materials","2009","21","14","3117","","10.1021/cm900401u","","","0.71073","MoKα","","0.0262","0.0197","","","0.0426","0.0445","","","","","","1.001","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001022","9.5109","0.0017","21.228","0.004","6.4158","0.0012","90","","96.675","0.003","90","","1286.6","0.4","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H14 N4 Pt -","- C10 H14 N4 Pt -","- C40 H56 N16 Pt4 -","4","1","","Drew, Steven M.; Smith, Lisa I.; McGee, Kari A.; Mann, Kent R.","A Platinum(II) Extended Linear Chain Material That Selectively Uptakes Benzene","Chemistry of Materials","2009","21","14","3117","","10.1021/cm900401u","","","0.71073","MoKα","","0.0321","0.0252","","","0.0491","0.0507","","","","","","0.995","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4001023","11.787","0.002","5.9569","0.0012","18.334","0.004","90","","97.17","0.03","90","","1277.2","0.4","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 -","- C38 H22 -","- C76 H44 -","2","0.5","","Wang, Chengliang; Liu, Yaling; Ji, Zhuoyu; Wang, Erjing; Li, Rongjin; Jiang, Hui; Tang, Qingxin; Li, Hongxiang; Hu, Wenping","Cruciforms: Assembling Single Crystal Micro- and Nanostructures from One to Three Dimensions and Their Applications in Organic Field-Effect Transistors","Chemistry of Materials","2009","21","13","2840","","10.1021/cm900511g","","","0.71073","MoKα","","0.0885","0.0479","","","0.09","0.1005","","","","","","0.998","","","","has coordinates","301811","2025-08-19","19:33:34","" "4001024","22.866","0.005","5.3567","0.0011","16.93","0.003","90","","99.72","0.03","90","","2043.9","0.7","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","0.5","","Wang, Chengliang; Liu, Yaling; Ji, Zhuoyu; Wang, Erjing; Li, Rongjin; Jiang, Hui; Tang, Qingxin; Li, Hongxiang; Hu, Wenping","Cruciforms: Assembling Single Crystal Micro- and Nanostructures from One to Three Dimensions and Their Applications in Organic Field-Effect Transistors","Chemistry of Materials","2009","21","13","2840","","10.1021/cm900511g","","","0.71073","MoKα","","0.1008","0.0594","","","0.1235","0.1388","","","","","","1.09","","","","has coordinates","301811","2025-08-19","19:33:34","" "4001025","16.508","0.003","10.367","0.002","21.587","0.004","90","","90","","90","","3694.4","1.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H14 S2 -","- C26.01 H14.01 S1.861 -","- C208.08 H112.08 S14.888 -","8","1","","Wang, Chengliang; Liu, Yaling; Ji, Zhuoyu; Wang, Erjing; Li, Rongjin; Jiang, Hui; Tang, Qingxin; Li, Hongxiang; Hu, Wenping","Cruciforms: Assembling Single Crystal Micro- and Nanostructures from One to Three Dimensions and Their Applications in Organic Field-Effect Transistors","Chemistry of Materials","2009","21","13","2840","","10.1021/cm900511g","","","0.71069","MoKα","","0.0918","0.049","","","0.1211","0.142","","","","","","0.81","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4001026","5.6102","0.0011","12.937","0.003","13.201","0.003","111.53","0.03","99.42","0.03","94.75","0.03","868.5","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H44 O2 S4 -","- C42 H44 O2 S4 -","- C42 H44 O2 S4 -","1","0.5","","Wang, Jie-Yu; Zhou, Yan; Yan, Jing; Ding, Lin; Ma, Yuguo; Cao, Yong; Wang, Jian; Pei, Jian","New Fused Heteroarenes for High-Performance Field-Effect Transistors","Chemistry of Materials","2009","21","13","2595","","10.1021/cm900568k","","","0.71073","MoKα","","0.0759","0.044","","","0.0968","0.1076","","","","","","0.905","","","","has coordinates","301811","2025-08-19","19:33:34","" "4001027","10.3537","0.0002","10.3537","0.0002","13.2837","0.0005","90","","90","","120","","1233.22","0.06","293","2","293","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- O15 Pb3 Rh7 -","- O15 Pb3 Rh7 -","- O60 Pb12 Rh28 -","4","0.166667","","Mizoguchi, Hiroshi; Ramirez, A. P.; Siegrist, T.; Zakharov, L. N.; Sleight, A. W.; Subramanian, M. A.","Possible Verwey-Type Transition in Pb3Rh7O15","Chemistry of Materials","2009","21","11","2300","","10.1021/cm900697s","","","0.71073","MoKα","","0.0173","0.017","","","0.0391","0.0392","","","","","","1.209","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001028","10.351","0.005","10.351","0.005","13.152","0.013","90","","90","","120","","1220.4","1.5","268","2","268","2","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- Bi0.96 O15 Pb2.04 Rh7 -","- Bi0.96 O15 Pb2.04 Rh7 -","- Bi3.84 O60 Pb8.16 Rh28 -","4","0.166667","","Mizoguchi, Hiroshi; Ramirez, A. P.; Siegrist, T.; Zakharov, L. N.; Sleight, A. W.; Subramanian, M. A.","Possible Verwey-Type Transition in Pb3Rh7O15","Chemistry of Materials","2009","21","11","2300","","10.1021/cm900697s","","","0.71073","MoKα","","0.0228","0.0212","","","0.0487","0.0504","","","","","","1.276","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001029","7.805","0.0003","11.0797","0.0005","9.4489","0.0004","90","","106.013","0.002","90","","785.41","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H16 Cl2 N4 O0 Se2 -","- C10 H16 Cl2 N4 Se2 -","- C20 H32 Cl4 N8 Se4 -","2","1","","Choi, Jaewon; Ko, Ju Hong; Jung, Il Gu; Yang, Hye Yun; Ko, Kyoung Chul; Lee, Jin Yong; Lee, Sang Moon; Kim, Hae Jin; Nam, Jeong Ho; Ahn, Joung Real; Son, Seung Uk","Reaction of Imidazoline-2-Selone with Acids and Its Use for Selective Coordination of Platinum Ions on Silica Surface","Chemistry of Materials","2009","21","13","2571","","10.1021/cm900802z","","","0.71073","MoKα","","0.0225","0.0201","","","0.041","0.0415","","","","","","0.915","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001030","18.824","0.003","7.6306","0.0011","12.438","0.0018","90","","90","","90","","1786.6","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H16 Cl4 N4 Pt Se2 -","- C10 H16 Cl4 N4 Pt Se2 -","- C40 H64 Cl16 N16 Pt4 Se8 -","4","1","","Choi, Jaewon; Ko, Ju Hong; Jung, Il Gu; Yang, Hye Yun; Ko, Kyoung Chul; Lee, Jin Yong; Lee, Sang Moon; Kim, Hae Jin; Nam, Jeong Ho; Ahn, Joung Real; Son, Seung Uk","Reaction of Imidazoline-2-Selone with Acids and Its Use for Selective Coordination of Platinum Ions on Silica Surface","Chemistry of Materials","2009","21","13","2571","","10.1021/cm900802z","","","0.71073","MoKα","","0.0662","0.0406","","","0.0782","0.0868","","","","","","0.972","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001031","7.6858","0.0006","7.6858","0.0006","7.6858","0.0006","90","","90","","90","","454.01","0.06","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Eu Rh1.08 Zn0.92 -","- Eu Rh1.078 Zn0.922 -","- Eu8 Rh8.624 Zn7.376 -","8","0.0416667","","Hermes, Wilfried; Harmening, Thomas; Pöttgen, Rainer","Ferromagnetism and Magnetocaloric Effect around 95 K in the Laves Phase EuRh1.2Zn0.8","Chemistry of Materials","2009","21","14","3325","","10.1021/cm900841t","","","0.56083","AgKα","","0.0168","0.0095","","","0.0114","0.0121","","","","","","1.207","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001032","12.9582","0.0009","13.1246","0.0009","20.0338","0.0014","106.486","0.001","100.577","0.001","98.147","0.001","3143","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","07146","","","- C66 H48 B Cu F24 N4 -","- C66 H48 B Cu F24 N4 -","- C132 H96 B2 Cu2 F48 N8 -","2","1","","Smith, Conor S.; Mann, Kent R.","Void Space Containing Crystalline Cu(I) Phenanthroline Complexes As Molecular Oxygen Sensors","Chemistry of Materials","2009","21","21","5042","","10.1021/cm901109n","","","0.71073","MoKα","","0.0653","0.0465","","","0.1147","0.1287","","","","","","1.023","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001033","13.5298","0.001","14.5589","0.001","16.8576","0.0012","104.85","0.001","106.354","0.001","97.85","0.001","3000.8","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","06203","","","- C60 H36 B Cu F24 N4 -","- C60 H36 B Cu F24 N4 -","- C120 H72 B2 Cu2 F48 N8 -","2","1","","Smith, Conor S.; Mann, Kent R.","Void Space Containing Crystalline Cu(I) Phenanthroline Complexes As Molecular Oxygen Sensors","Chemistry of Materials","2009","21","21","5042","","10.1021/cm901109n","","","0.71073","MoKα","","0.0875","0.0543","","","0.122","0.1344","","","","","","1.031","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001034","16.171","0.001","16.194","0.001","16.754","0.001","113.524","0.001","90.951","0.002","107.56","0.001","3787.9","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","08232","","","- C84 H52 B Cu F24 N4 -","- C84 H52 B Cu F24 N4 -","- C168 H104 B2 Cu2 F48 N8 -","2","1","","Smith, Conor S.; Mann, Kent R.","Void Space Containing Crystalline Cu(I) Phenanthroline Complexes As Molecular Oxygen Sensors","Chemistry of Materials","2009","21","21","5042","","10.1021/cm901109n","","","0.71069","MoKα","","0.1116","0.0658","","","0.1605","0.1913","","","","","","1.029","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001035","12.514","0.003","18.018","0.004","23.063","0.005","90","","90.103","0.004","90","","5200","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 B Cu F4 N4 -","- C28 H24 B Cu F4 N4 -","- C224 H192 B8 Cu8 F32 N32 -","8","2","","Smith, Conor S.; Mann, Kent R.","Void Space Containing Crystalline Cu(I) Phenanthroline Complexes As Molecular Oxygen Sensors","Chemistry of Materials","2009","21","21","5042","","10.1021/cm901109n","","","0.71073","MoKα","","0.0806","0.0529","","","0.1178","0.1325","","","","","","1.05","","","","has coordinates","301811","2025-08-19","19:33:34","" "4001036","14.586","0.0017","17.2051","0.0019","14.3183","0.0016","90","","103.637","0.002","90","","3491.9","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","09017","","","- C36 H40 B Cu F4 N4 -","- C36 H40 B Cu F4 N4 -","- C144 H160 B4 Cu4 F16 N16 -","4","1","","Smith, Conor S.; Mann, Kent R.","Void Space Containing Crystalline Cu(I) Phenanthroline Complexes As Molecular Oxygen Sensors","Chemistry of Materials","2009","21","21","5042","","10.1021/cm901109n","","","0.71073","MoKα","","0.1126","0.0546","","","0.1407","0.1758","","","","","","1.019","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4001037","11.6719","0.0006","13.2121","0.0007","20.8465","0.0011","72.96","0.001","80.787","0.001","86.489","0.001","3033.6","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H43 N O4 Pt -","- C34 H43 N O4 Pt -","- C136 H172 N4 O16 Pt4 -","4","2","","Santoro, Amedeo; Whitwood, Adrian C.; Williams, J. A. Gareth; Kozhevnikov, Valery N.; Bruce, Duncan W.","Synthesis, Mesomorphism, and Luminescent Properties of Calamitic 2-Phenylpyridines and Their Complexes with Platinum(II)","Chemistry of Materials","2009","21","16","3871","","10.1021/cm9012156","","","0.71073","MoKα","","0.0346","0.0284","","","0.0695","0.0721","","","","","","1.044","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001038","11.5266","0.0007","11.5631","0.0007","13.0188","0.0008","102.94","0.001","90.928","0.001","109.123","0.001","1590.23","0.17","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H47 N O4 Pt -","- C37 H47 N O4 Pt -","- C74 H94 N2 O8 Pt2 -","2","1","","Santoro, Amedeo; Whitwood, Adrian C.; Williams, J. A. Gareth; Kozhevnikov, Valery N.; Bruce, Duncan W.","Synthesis, Mesomorphism, and Luminescent Properties of Calamitic 2-Phenylpyridines and Their Complexes with Platinum(II)","Chemistry of Materials","2009","21","16","3871","","10.1021/cm9012156","","","0.71073","MoKα","","0.0274","0.0228","","","0.0539","0.0555","","","","","","1.056","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001039","25.5055","0.0012","21.3004","0.001","37.4088","0.0018","90","","108.121","0.001","90","","19315.4","1.6","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Cl N O3 Pt S -","- C34 H45.998 Cl N O3 Pt S -","- C816 H1103.95 Cl24 N24 O72 Pt24 S24 -","24","6","","Santoro, Amedeo; Whitwood, Adrian C.; Williams, J. A. Gareth; Kozhevnikov, Valery N.; Bruce, Duncan W.","Synthesis, Mesomorphism, and Luminescent Properties of Calamitic 2-Phenylpyridines and Their Complexes with Platinum(II)","Chemistry of Materials","2009","21","16","3871","","10.1021/cm9012156","","","0.71073","MoKα","","0.0491","0.0329","","","0.0719","0.079","","","","","","1.08","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4001040","9.2822","0.0009","3.8967","0.0004","12.0777","0.0011","90","","95.522","0.001","90","","434.82","0.07","100","1","100","1","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- Eu Ga2 P2 -","- Eu1.009 Ga1.982 P2 -","- Eu4.036 Ga7.928 P8 -","4","1","","Goforth, Andrea M.; Hope, Håkon; Condron, Cathie L.; Kauzlarich, Susan M.; Jensen, Newell; Klavins, Peter; MaQuilon, Samuel; Fisk, Zachary","Magnetism and Negative Magnetoresistance of Two Magnetically Ordering, Rare-Earth-Containing Zintl phases with a New Structure Type: EuGa2Pn2(Pn = P, As)","Chemistry of Materials","2009","21","19","4480","","10.1021/cm901219u","","","0.71073","MoKα","","0.0159","0.0148","","","0.0325","0.0327","","","","","","1.197","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001041","9.4953","0.0007","4.0294","0.0003","12.4237","0.0009","90","","95.304","0.001","90","","473.3","0.06","100","1","100","1","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- As2 Eu Ga2 -","- As2 Eu1.00685 Ga1.9863 -","- As8 Eu4.0274 Ga7.9452 -","4","1","","Goforth, Andrea M.; Hope, Håkon; Condron, Cathie L.; Kauzlarich, Susan M.; Jensen, Newell; Klavins, Peter; MaQuilon, Samuel; Fisk, Zachary","Magnetism and Negative Magnetoresistance of Two Magnetically Ordering, Rare-Earth-Containing Zintl phases with a New Structure Type: EuGa2Pn2(Pn = P, As)","Chemistry of Materials","2009","21","19","4480","","10.1021/cm901219u","","","0.71073","MoKα","","0.0161","0.0155","","","0.0315","0.0317","","","","","","1.261","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001042","10.9807","0.0006","16.9871","0.0007","17.3239","0.0007","81.0128","0.0014","82.301","0.002","75.0575","0.0016","3068.9","0.2","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Cu F12 N4 P2 -","- C24 H28 Cu F12 N4 P2 -","- C96 H112 Cu4 F48 N16 P8 -","4","2","","Noro, Shin-ichiro; Tanaka, Daisuke; Sakamoto, Hirotoshi; Shimomura, Satoru; Kitagawa, Susumu; Takeda, Sadamu; Uemura, Kazuhiro; Kita, Hidetoshi; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Selective Gas Adsorption in One-Dimensional, Flexible Cu^II^ Coordination Polymers with Polar Units","Chemistry of Materials","2009","21","14","3346","3355","10.1021/cm9012969","","","0.71075","MoKα","","","0.0353","","","","0.0591","","","","","","1.064","","","","has coordinates","301811","2025-08-19","19:33:34","" "4001043","20.652","0.003","6.798","0.001","9.954","0.001","90","","92.145","0.006","90","","1396.5","0.3","293","","293","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C14 O5 V -","- C14 O5 V -","- C56 O20 V4 -","4","1","","Djerdj, Igor; Cao, Minhua; Rocquefelte, Xavier; Černý, Radovan; Jagličić, Zvonko; Arčon, Denis; Potočnik, Anton; Gozzo, Fabia; Niederberger, Markus","Structural Characterization of a Nanocrystalline Inorganic−Organic Hybrid with Fiberlike Morphology and One-Dimensional Antiferromagnetic Properties","Chemistry of Materials","2009","21","14","3356","","10.1021/cm901345h","powder diffraction","","1.03469","synchrotron","","","","","","","","","1.02","","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001044","3.986","0.003","12.488","0.001","25.251","0.002","90","","90","","90","","1256.9","1","296.2","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H4 Br0.41 I0.85 S4 Se2 -","- C5.5 H3 I1.14 S4 Se2 -","- C22 H12 I4.56 S16 Se8 -","4","0.5","","Bando, Yoshimasa; Kawamoto, Tadashi; Mori, Takehiko; Kakiuchi, Toru; Sawa, Hiroshi; Takimiya, Kazuo; Otsubo, Tetsuo","Organic Superconductivity Enhanced by Asymmetric-Anion Random Potential in (MDT-TS)I0.85Br0.41[MDT-TS = 5H-2-(1,3-diselenole-2-ylidene)-1,3,4,6-tetrathiapentalene]","Chemistry of Materials","2009","21","15","3521","","10.1021/cm901456j","","","0.7107","MoKα","","","0.0325","","","","0.0301","","","","","","1.303","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001045","11.579","0.003","5.476","0.001","59.015","0.002","90","","90.28","0.02","90","","3741.9","1.2","300","","293","","","","","","","","","4","I 1 m 1","I -2y","8","","","","- Bi14.32 O42 P7 Zn1.99 -","- Bi14.31 O41 P7 Zn1.9936 -","- Bi57.24 O164 P28 Zn7.9744 -","4","1","","Huvé, Marielle; Colmont, Marie; Lejay, Julien; Aschehoug, Patrick; Mentré, Olivier","Building Units and Intergrowths: Toward the Design of an Extended Family of Acentric Bi-Based Materials with Second Harmonic Generacy","Chemistry of Materials","2009","21","17","4019","","10.1021/cm901466e","","","0.71069","MoKα","","0.1107","0.0817","","","0.0774","0.0984","","","","2.48","2.48","2.51","","","","has coordinates","176432","2020-10-21","18:00:00","" "4001046","11.4651","0.0003","11.4651","0.0003","8.9154","0.0003","90","","90","","90","","1171.92","0.06","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C4 H0 Ho K O12 -","- C4 Ho K O12 -","- C16 Ho4 K4 O48 -","4","0.125","","Mohapatra, Sudip; Hembram, K. P. S. S.; Waghmare, Umesh; Maji, Tapas Kumar","Immobilization of Alkali Metal Ions in a 3D Lanthanide-Organic Framework: Selective Sorption and H2Storage Characteristics","Chemistry of Materials","2009","21","22","5406","","10.1021/cm9014749","","","0.71073","MoKα","","0.0291","0.0255","","","0.0921","0.0927","","","","","","1.385","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001047","13.6623","0.0005","13.9688","0.0006","18.0454","0.0009","90","","111.235","0.003","90","","3210.1","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H39 B2 Li2 N13 O -","- C27 H39 B2 Li2 N13 O -","- C108 H156 B8 Li8 N52 O4 -","4","1","","Wu, Tao; Zhang, Jian; Bu, Xianhui; Feng, Pingyun","Variable Lithium Coordination Modes in Two- and Three-Dimensional Lithium Boron Imidazolate Frameworks","Chemistry of Materials","2009","21","16","3830","","10.1021/cm9015063","","","0.71073","MoKα","","0.118","0.096","","","0.2684","0.2889","","","","","","1.058","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001048","16.3138","0.0001","16.3138","0.0001","16.3138","0.0001","90","","90","","90","","4341.76","0.05","150","2","150","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C20 H28 B Li N8 -","- C20 H28 B Li N8 -","- C120 H168 B6 Li6 N48 -","6","0.25","","Wu, Tao; Zhang, Jian; Bu, Xianhui; Feng, Pingyun","Variable Lithium Coordination Modes in Two- and Three-Dimensional Lithium Boron Imidazolate Frameworks","Chemistry of Materials","2009","21","16","3830","","10.1021/cm9015063","","","0.71073","MoKα","","0.0752","0.0691","","","0.2063","0.2121","","","","","","1.045","","","","has coordinates","301811","2025-08-19","19:33:34","" "4001049","12.4369","0.0003","13.4869","0.0003","17.8943","0.0003","90","","90.709","0.001","90","","3001.27","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 B Li N9 O -","- C32 H31 B Li N9 O -","- C128 H124 B4 Li4 N36 O4 -","4","1","","Wu, Tao; Zhang, Jian; Bu, Xianhui; Feng, Pingyun","Variable Lithium Coordination Modes in Two- and Three-Dimensional Lithium Boron Imidazolate Frameworks","Chemistry of Materials","2009","21","16","3830","","10.1021/cm9015063","","","0.71073","MoKα","","0.1006","0.0548","","","0.1356","0.1596","","","","","","1.07","","","","has coordinates","301811","2025-08-19","19:33:34","" "4001050","5.8511","0.0012","16.252","0.003","10.372","0.002","90","","100.77","0.03","90","","968.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Bi Br5 N2 -","- C12 H14 Bi Br5 N2 -","- C24 H28 Bi2 Br10 N4 -","2","0.5","","Bi, Wenhua; Leblanc, Nicolas; Mercier, Nicolas; Auban-Senzier, Pascale; Pasquier, Claude","Thermally Induced Bi(III) Lone Pair Stereoactivity: Ferroelectric Phase Transition and Semiconducting Properties of (MV)BiBr5(MV= methylviologen)","Chemistry of Materials","2009","21","18","4099","","10.1021/cm9016003","","x-ray","0.71073","MoKα","","","0.0408","","","","0.086","","","","","","1.154","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001051","5.845","0.0012","16.248","0.003","10.318","0.002","90","","101.12","0.03","90","","961.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Bi Br5 N2 -","- C12 H14 Bi Br5 N2 -","- C24 H28 Bi2 Br10 N4 -","2","1","","Bi, Wenhua; Leblanc, Nicolas; Mercier, Nicolas; Auban-Senzier, Pascale; Pasquier, Claude","Thermally Induced Bi(III) Lone Pair Stereoactivity: Ferroelectric Phase Transition and Semiconducting Properties of (MV)BiBr5(MV= methylviologen)","Chemistry of Materials","2009","21","18","4099","","10.1021/cm9016003","","x-ray","0.71073","MoKα","","","0.0421","","","","0.0846","","","","","","1.116","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001052","10.3829","0.0006","10.3829","","8.5722","0.0008","90","","90","","120","","800.31","0.09","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- Ba6 Nb3 O13.5 -","- Ba6 Nb3 O13.5 -","- Ba12 Nb6 O27 -","2","0.166667","","Ling, Chris D.; Avdeev, Maxim; Kutteh, Ramzi; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Fialkova, Svitlana; Sharma, Neeraj; Macquart, René B; Hoelzel, Markus; Gutmann, Matthias","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Nb2O9","Chemistry of Materials","2009","21","16","3853","","10.1021/cm901644e","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001053","3.33572","0.00023","3.33572","","3.33572","","90","","90","","90","","37.117","0.003","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Nb -","- Nb -","- Nb2 -","2","0.0208333","","Ling, Chris D.; Avdeev, Maxim; Kutteh, Ramzi; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Fialkova, Svitlana; Sharma, Neeraj; Macquart, René B; Hoelzel, Markus; Gutmann, Matthias","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Nb2O9","Chemistry of Materials","2009","21","16","3853","","10.1021/cm901644e","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001054","6.0327","0.0015","12.4065","0.0027","10.431","0.0032","90","","90","","90","","780.7","0.4","","","298","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- Ba6 H Nb3 O14 -","- Ba6 H Nb3 O14 -","- Ba12 H2 Nb6 O28 -","2","0.5","","Ling, Chris D.; Avdeev, Maxim; Kutteh, Ramzi; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Fialkova, Svitlana; Sharma, Neeraj; Macquart, René B; Hoelzel, Markus; Gutmann, Matthias","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Nb2O9","Chemistry of Materials","2009","21","16","3853","","10.1021/cm901644e","powder diffraction","neutron","1.621","","","","","","","","","0.08466","","2.83","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001055","11.6795","0.0003","19.9926","0.0006","8.9249","0.0003","90","","93.168","0.001","90","","2080.81","0.11","293","","293","","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C2 H12 Co3 N2 O14 S3 -","- C2 H12 Co3 N2 O14 S3 -","- C12 H72 Co18 N12 O84 S18 -","6","1.5","","Powell, Anthony V.; Leyva-Bailen, Patricia; Vaqueiro, Paz; Sanchez, Rodolfo D.","Co3(SO4)3(OH)2[enH2]: A NewS= 3/2 Kagome-Type Layered Sulfate with a Unique Connectivity","Chemistry of Materials","2009","21","18","4102","","10.1021/cm901765n","","","0.71073","MoKα","","0.022","0.0211","","0.0258","0.0255","0.0255","","","","","","1.0646","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001056","9.4541","0.0003","16.3285","0.0005","15.0644","0.0005","90","","90.212","0.001","90","","2325.49","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H70 Br2 P4 Pd2 -","- C38 H70 Br2 P4 Pd2 -","- C76 H140 Br4 P8 Pd4 -","2","0.5","","Altman, Marc; Zenkina, Olena V.; Ichiki, Takahiko; Iron, Mark A.; Evmenenko, Guennadi; Dutta, Pulak; van der Boom, Milko E.","Positive Constructs: Charges Localized on Surface-Confined Organometallic Oligomers","Chemistry of Materials","2009","21","19","4676","","10.1021/cm901789e","","","0.71073","MoKα","","0.0506","0.034","","","0.0809","0.0885","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00","" "4001057","9.5228","","5.4869","","5.4818","","90","","125.222","","90","","233.99","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ce0.4 O3 Sr0.4 Ti -","- Ce0.3556 O2.6668 Sr0.3556 Ti0.888933 -","- Ce1.0668 O8.0004 Sr1.0668 Ti2.6668 -","3","0.375","","Ubic, Rick; Subodh, Ganesanpotti; Gout, Delphine; Sebastian, Mailadil T.; Proffen, Thomas","Crystal Structure of Sr0.4Ce0.4TiO3Ceramics","Chemistry of Materials","2009","21","19","4706","","10.1021/cm9018698","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001058","71.687","0.003","71.687","0.003","71.687","0.003","90","","90","","90","","368401","3","100","2","100","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C306 H102 Al51 O374 -","- C306 H102 Al51 O374 -","- C4896 H1632 Al816 O5984 -","16","0.0833333","","Volkringer, Christophe; Popov, Dimitry; Loiseau, Thierry; Férey, Gérard; Burghammer, Manfred; Riekel, Christian; Haouas, Mohamed; Taulelle, Francis","Synthesis, Single-Crystal X-ray Microdiffraction, and NMR Characterizations of the Giant Pore Metal-Organic Framework Aluminum Trimesate MIL-100","Chemistry of Materials","2009","21","24","5695","","10.1021/cm901983a","","","0.9612","synchrotron","","0.2279","0.1744","","","0.4014","0.4298","","","","","","1.441","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001059","8.3193","0.0007","11.207","0.0008","12.0009","0.0009","87.175","0.006","77.446","0.007","84.556","0.006","1086.75","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H3 Cl9 N2 S2 -","- C19 H3 Cl9 N2 S2 -","- C38 H6 Cl18 N4 S4 -","2","1","","Fang, Xiao-Liang; Deng, Shun-Liu; Wang, Jing; Wang, Xiao-Feng; Chen, Cheng; Li, Yue; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","From Self-Assembled Microspheres to Self-Templated Nanotubes: Morphologies and Properties of Sulfur-Bridged Fluoranthene-Based Organic Materials","Chemistry of Materials","2009","21","24","5763","","10.1021/cm901986k","","","0.71073","MoKα","","0.1071","0.0381","","","0.0521","0.0607","","","","","","0.714","","","","has coordinates","301811","2025-08-19","19:33:34","" "4001060","11.8343","0.0009","12.336","0.0005","12.7275","0.0008","84.027","0.004","63.974","0.007","66.052","0.006","1519.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H9 Cl7 N6 S6 -","- C25 H9 Cl7 N6 S6 -","- C50 H18 Cl14 N12 S12 -","2","1","","Fang, Xiao-Liang; Deng, Shun-Liu; Wang, Jing; Wang, Xiao-Feng; Chen, Cheng; Li, Yue; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","From Self-Assembled Microspheres to Self-Templated Nanotubes: Morphologies and Properties of Sulfur-Bridged Fluoranthene-Based Organic Materials","Chemistry of Materials","2009","21","24","5763","","10.1021/cm901986k","","","0.71073","MoKα","","0.1286","0.0727","","","0.1697","0.1853","","","","","","1.009","","","","has coordinates","301811","2025-08-19","19:33:34","" "4001061","27.808","0.003","5.5222","0.0004","17.8631","0.0012","90","","117.876","0.004","90","","2424.8","0.4","93.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 S2 -","- C34 H24 S2 -","- C136 H96 S8 -","4","0.5","","Bolag, Altan; Mamada, Masashi; Nishida, Jun-ichi; Yamashita, Yoshiro","Field-Effect Transistors Based on Tetraphenyldipyranylidenes and the Sulfur Analogues","Chemistry of Materials","2009","21","19","4350","","10.1021/cm902037w","","","0.71075","MoKα","","","0.0418","","","","0.124","","","","","","1.116","","","","has coordinates","301811","2025-08-19","19:33:34","" "4001062","6.081","0.0007","9.2666","0.0011","11.819","0.0014","114.383","0.003","92.559","0.003","91.396","0.003","605.32","0.12","93.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H20 F4 O2 -","- C34 H20 F4 O2 -","- C34 H20 F4 O2 -","1","0.5","","Bolag, Altan; Mamada, Masashi; Nishida, Jun-ichi; Yamashita, Yoshiro","Field-Effect Transistors Based on Tetraphenyldipyranylidenes and the Sulfur Analogues","Chemistry of Materials","2009","21","19","4350","","10.1021/cm902037w","","","0.71075","MoKα","","","0.0509","","","","0.1493","","","","","","0.956","","","","has coordinates","301811","2025-08-19","19:33:34","" "4001063","7.82857","0.00008","11.21789","0.00012","7.46427","0.00008","90","","90","","90","","655.512","0.012","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- La O4 Ta -","- La O4 Ta -","- La8 O32 Ta8 -","8","1","","Nyman, May; Rodriguez, Mark A.; Rohwer, Lauren E.S.; Martin, James E.; Waller, Mollie; Osterloh, Frank E.","Unique LaTaO4Polymorph for Multiple Energy Applications","Chemistry of Materials","2009","21","19","4731","","10.1021/cm9020645","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001064","11.377","0.002","15.472","0.003","16.952","0.003","78.328","0.003","75.912","0.003","72.344","0.003","2731.1","0.9","274","1","274","1","","","","","","","","6","P -1","-P 1","2","","","","- C78 H64 Bi6 N26 O40 S8 -","- C78 H64 Bi6 N26 O40 S8 -","- C78 H64 Bi6 N26 O40 S8 -","1","0.5","","Stavila, Vitalie; Whitmire, Kenton H.; Rusakova, Irene","Synthesis of Bi2S3Nanostructures from Bismuth(III) Thiourea and Thiosemicarbazide Complexes","Chemistry of Materials","2009","21","22","5456","","10.1021/cm902229x","","","0.71073","MoKα","","0.2128","0.0727","","","0.1487","0.1813","","","","","","0.881","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001065","8.0243","0.0016","10.283","0.002","18.892","0.004","78.1","0.03","78.59","0.03","76.55","0.03","1465","0.6","294","1","294","1","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 Bi N3 O7.5 S0.5 -","- C11 H10 Bi N3 O7.5 S0.5 -","- C44 H40 Bi4 N12 O30 S2 -","4","2","","Stavila, Vitalie; Whitmire, Kenton H.; Rusakova, Irene","Synthesis of Bi2S3Nanostructures from Bismuth(III) Thiourea and Thiosemicarbazide Complexes","Chemistry of Materials","2009","21","22","5456","","10.1021/cm902229x","","","0.71073","MoKα","","0.0361","0.0284","","","0.0741","0.0766","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001066","18.354","0.002","11.8461","0.0015","9.7261","0.0013","90","","104.899","0.002","90","","2043.6","0.4","566","2","566","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cd N4 O6 S2 -","- C16 H18 Cd N4 O6 S2 -","- C64 H72 Cd4 N16 O24 S8 -","4","1","","Mandal, Trinanjana; Stavila, Vitalie; Rusakova, Irene; Ghosh, Saunab; Whitmire, Kenton H.","Molecular Precursors for CdS Nanoparticles: Synthesis and Characterization of Carboxylate−Thiourea or −Thiosemicarbazide Cadmium Complexes and Their Decomposition","Chemistry of Materials","2009","21","23","5617","","10.1021/cm902230u","","","0.71073","MoKα","","0.054","0.0358","","","0.084","0.0997","","","","","","0.896","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001067","24.128","0.005","9.5953","0.0019","17.986","0.004","90","","109.6","0.03","90","","3922.8","1.6","298","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 Cd N6 O4.5 S2 -","- C14 H17 Cd N6 O4.5 S2 -","- C112 H136 Cd8 N48 O36 S16 -","8","1","","Mandal, Trinanjana; Stavila, Vitalie; Rusakova, Irene; Ghosh, Saunab; Whitmire, Kenton H.","Molecular Precursors for CdS Nanoparticles: Synthesis and Characterization of Carboxylate−Thiourea or −Thiosemicarbazide Cadmium Complexes and Their Decomposition","Chemistry of Materials","2009","21","23","5617","","10.1021/cm902230u","","","0.71073","MoKα","","0.029","0.0224","","","0.0565","0.0616","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001068","19.039","0.004","8.933","0.0018","13.876","0.003","90","","111.37","0.03","90","","2197.7","0.9","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H22 Cd N8 O6 S2 -","- C14 H22 Cd N8 O6 S2 -","- C56 H88 Cd4 N32 O24 S8 -","4","1","","Mandal, Trinanjana; Stavila, Vitalie; Rusakova, Irene; Ghosh, Saunab; Whitmire, Kenton H.","Molecular Precursors for CdS Nanoparticles: Synthesis and Characterization of Carboxylate−Thiourea or −Thiosemicarbazide Cadmium Complexes and Their Decomposition","Chemistry of Materials","2009","21","23","5617","","10.1021/cm902230u","","","0.71073","MoKα","","0.0842","0.0296","","","0.0627","0.0683","","","","","","0.595","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001069","9.2018","0.0009","9.991","0.001","15.9863","0.0015","80.069","0.002","82.155","0.002","88.526","0.002","1434.1","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H11 Cd N5 O4 S2 -","- C9 H11 Cd N5 O4 S2 -","- C36 H44 Cd4 N20 O16 S8 -","4","2","","Mandal, Trinanjana; Stavila, Vitalie; Rusakova, Irene; Ghosh, Saunab; Whitmire, Kenton H.","Molecular Precursors for CdS Nanoparticles: Synthesis and Characterization of Carboxylate−Thiourea or −Thiosemicarbazide Cadmium Complexes and Their Decomposition","Chemistry of Materials","2009","21","23","5617","","10.1021/cm902230u","","","0.71073","MoKα","","0.0809","0.0265","","","0.0528","0.0592","","","","","","0.422","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001070","9.3152","0.0006","11.1894","0.0007","17.3774","0.001","90","","94.253","0.001","90","","1806.28","0.19","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19 Cd N7 O7 S2 -","- C9 H19 Cd N7 O7 S2 -","- C36 H76 Cd4 N28 O28 S8 -","4","1","","Mandal, Trinanjana; Stavila, Vitalie; Rusakova, Irene; Ghosh, Saunab; Whitmire, Kenton H.","Molecular Precursors for CdS Nanoparticles: Synthesis and Characterization of Carboxylate−Thiourea or −Thiosemicarbazide Cadmium Complexes and Their Decomposition","Chemistry of Materials","2009","21","23","5617","","10.1021/cm902230u","","","0.71073","MoKα","","0.0524","0.0267","","","0.0552","0.0583","","","","","","0.633","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001071","9.748","0.001","20.048","0.001","7.489","0.001","90","","134.42","0.01","90","","1045.3","0.3","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","MIL-120","","","- C10 H20 Al4 O21 -","- C10 H10 Al4 O21 -","- C20 H20 Al8 O42 -","2","0.25","","Volkringer, Christophe; Loiseau, Thierry; Haouas, Mohamed; Taulelle, Francis; Popov, Dmitry; Burghammer, Manfred; Riekel, Christian; Zlotea, Claudia; Cuevas, Fermin; Latroche, Michel; Phanon, Delphine; Knöfelv, Christina; Llewellyn, Philip L.; Férey, Gérard","Occurrence of Uncommon Infinite Chains Consisting of Edge-Sharing Octahedra in a Porous Metal Organic Framework-Type Aluminum Pyromellitate Al4(OH)8[C10O8H2] (MIL-120): Synthesis, Structure, and Gas Sorption Properties","Chemistry of Materials","2009","21","24","5783","","10.1021/cm9023106","","","0.9613","synchrotron","","0.0947","0.0818","","","0.2184","0.2322","","","","","","0.964","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001072","10.69238","0.00033","10.69238","","10.69238","","90","","90","","90","","1222.43","0.04","","","298","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","Cerium zirconate","","","- Ce2 O7 Zr2 -","- Ce2 O7 Zr2 -","- Ce16 O56 Zr16 -","8","0.0416667","","Achary, S. Nagabhusan; Sali, Sanjay K.; Kulkarni, Narendra K.; Krishna, P. Siva Ram; Shinde, Anil B.; Tyagi, Avesh K.","Intercalation/Deintercalation of Oxygen: A Sequential Evolution of Phases in Ce2O3/CeO2−ZrO2Pyrochlores","Chemistry of Materials","2009","21","24","5848","","10.1021/cm902450q","powder diffraction","neutron","1.249","","","","","","","","","0.07167","","1.99","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001073","10.61007","0.00023","10.61007","","10.61007","","90","","90","","90","","1194.41","0.03","","","298","","","","","","","","Synthetic","3","F -4 3 m","F -4 2 3","216","Cerium zirconate","","","- Ce4 O15.02 Zr4 -","- Ce4 O15.0238 Zr4 -","- Ce16 O60.0952 Zr16 -","4","0.0416667","","Achary, S. Nagabhusan; Sali, Sanjay K.; Kulkarni, Narendra K.; Krishna, P. Siva Ram; Shinde, Anil B.; Tyagi, Avesh K.","Intercalation/Deintercalation of Oxygen: A Sequential Evolution of Phases in Ce2O3/CeO2−ZrO2Pyrochlores","Chemistry of Materials","2009","21","24","5848","","10.1021/cm902450q","powder diffraction","neutron","1.249","","","","","","","","","0.04246","","1.68","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001074","10.54431","0.00019","10.54431","","10.54431","","90","","90","","90","","1172.34","0.02","","","298","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","Cerium zirconate","","","- Ce O4 Zr -","- Ce O4 Zr -","- Ce16 O64 Zr16 -","16","1.33333","","Achary, S. Nagabhusan; Sali, Sanjay K.; Kulkarni, Narendra K.; Krishna, P. Siva Ram; Shinde, Anil B.; Tyagi, Avesh K.","Intercalation/Deintercalation of Oxygen: A Sequential Evolution of Phases in Ce2O3/CeO2−ZrO2Pyrochlores","Chemistry of Materials","2009","21","24","5848","","10.1021/cm902450q","powder diffraction","neutron","1.249","","","","","","","","","0.05191","","1.99","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001075","17.25","0.01","19.467","0.009","14.031","0.012","90","","95.22","0.05","90","","4692","5","233","2","233","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51 H30 Cu3 N3 O12 -","- C51 H30 Cu3 N3 O12 -","- C204 H120 Cu12 N12 O48 -","4","1","","Kanoo, Prakash; Matsuda, Ryotaro; Higuchi, Masakazu; Kitagawa, Susumu; Maji, Tapas Kumar","New Interpenetrated Copper Coordination Polymer Frameworks having Porous Properties","Chemistry of Materials","2009","21","24","5860","","10.1021/cm9025683","","","0.71073","MoKα","","0.0507","0.0395","","","0.0902","0.0994","","","","","","1.019","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001076","17.094","0.003","19.605","0.003","11.782","0.002","90","","113.95","0.004","90","","3608.5","1","243","2","243","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 Cu N O4.5 -","- C18 H13 Cu N O4.5 -","- C144 H104 Cu8 N8 O36 -","8","1","","Kanoo, Prakash; Matsuda, Ryotaro; Higuchi, Masakazu; Kitagawa, Susumu; Maji, Tapas Kumar","New Interpenetrated Copper Coordination Polymer Frameworks having Porous Properties","Chemistry of Materials","2009","21","24","5860","","10.1021/cm9025683","","","0.7107","MoKα","","0.0763","0.0576","","","0.1709","0.1903","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001077","10.5211","0.0013","10.7151","0.0013","5.7452","0.0007","90","","90","","90","","647.68","0.14","296","2","296","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- O5 Pb3 Se -","- O5 Pb3 Se -","- O20 Pb12 Se4 -","4","0.5","","Kim, Sang-Hwan; Yeon, Jeongho; Halasyamani, P. Shiv","Noncentrosymmetric Polar Oxide Material, Pb3SeO5: Synthesis, Characterization, Electronic Structure Calculations, and Structure−Property Relationships","Chemistry of Materials","2009","21","21","5335","","10.1021/cm902639p","","","0.71073","MoKα","","0.0263","0.0251","","","0.0506","0.0509","","","","","","1.031","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001078","8.0322","0.0004","8.4306","0.0005","16.3624","0.001","88.66","0.003","81.815","0.003","61.977","0.002","966.93","0.1","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H54 Si2 -","- C46 H54 Si2 -","- C46 H54 Si2 -","1","0.5","","Winzenberg, Kevin N.; Kemppinen, Peter; Fanchini, Giovanni; Bown, Mark; Collis, Gavin E.; Forsyth, Craig M.; Hegedus, Katalin; Singh, Th. Birendra; Watkins, Scott E.","Dibenzo[b,def]chrysene Derivatives: Solution-Processable Small Molecules that Deliver High Power-Conversion Efficiencies in Bulk Heterojunction Solar Cells","Chemistry of Materials","2009","21","24","5701","","10.1021/cm9028337","","","0.71073","MoKα","","0.0817","0.0749","","","0.1329","0.1355","","","","","","1.265","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001079","14.0386","0.0013","14.1668","0.0013","16.2804","0.0015","90.891","0.002","106.262","0.001","112.27","0.001","2849.4","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C101 H90 Fe6 O28 -","- C80 H66 Fe6 O28 -","- C80 H66 Fe6 O28 -","1","0.5","","Tahir, Asif Ali; Wijayantha, K. G. Upul; Saremi-Yarahmadi, Sina; Mazhar, Muhammad; McKee, Vickie","Nanostructured α-Fe2O3Thin Films for Photoelectrochemical Hydrogen Generation","Chemistry of Materials","2009","21","16","3763","","10.1021/cm803510v","","","0.71073","MoKα","","0.0539","0.0438","","","0.1143","0.119","","","","","","0.991","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001900","4.9292","0.0002","8.5315","0.0002","5.0251","0.0001","90","","109.337","0.002","90","","199.402","0.01","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Dilithium Manganate(IV)","","- Li2 Mn O3 -","- Li2 Mn O3 -","- Li8 Mn4 O12 -","4","0.5","","Boulineau, A.; Croguennec, L.; Delmas, C.; Weill, F.","Reinvestigation of Li~2~MnO~3~ structure: electron diffraction and high resolution TEM","Chemistry of Materials","2009","21","18","4216","4222","10.1021/cm900998n","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4031668","6.051","","6.051","","6.051","","90","","90","","90","","221.555","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Li Sb Te2 -","- Li Sb Te2 -","- Li2 Sb2 Te4 -","2","0.0104167","","Kovba, L.M.; Lazarev, V.B.; Moshchalkova, N.A.; Salov, A.V.","Structure of the compound Li Sb Te2 and equilibrium diagram of the Li S bTe2 - Sb2 Te3 system","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1976","21","","857","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "4031685","9.15","","9.15","","9.15","","90","","90","","90","","766.061","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","U3 Se2 Te2","","- Se2 Te2 U3 -","- Se2 Te2 U3 -","- Se8 Te8 U12 -","4","0.0833333","","Slovyanskikh, V.K.; Rozanov, I.A.; Gracheva, N.V.","The Se-Te-U system","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1976","21","","1383","1386","","","","","","","","","","","","","","","","","","","","","","has coordinates","168349","2020-10-21","18:00:00","" "4031686","8.8","","8.8","","8.8","","90","","90","","90","","681.472","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","U3 Se4","","- Se4 U3 -","- Se4 U3 -","- Se16 U12 -","4","0.0833333","","Slovyanskikh, V.K.; Rozanov, I.A.; Gracheva, N.V.","The Se-Te-U system","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1976","21","","1383","1386","","","","","","","","","","","","","","","","","","","","","","has coordinates","168353","2020-10-21","18:00:00","" "4060753","13.924","0.002","17.67","0.002","22.157","0.003","90","","90","","90","","5451.4","1.2","295","0.2","295","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H38 Cl O Os P -","- C29 H33 Cl O Os P -","- C232 H264 Cl8 O8 Os8 P8 -","8","1","","Jorge J. Carbó; Pascale Crochet; Miguel A. Esteruelas; Yves Jean; Agustí Lledós; Ana M. López; Enrique Oñate","Two- and Four-Electron Alkyne Ligands in Osmium-Cyclopentadienyl Chemistry: Consequences of the π⊥→M Interaction","Organometallics","2002","21","","305","314","10.1021/om010645n","","","0.71069","MoKα","","0.0681","0.0351","","","0.0696","0.0813","","","","","","1.039","","","","has coordinates,has disorder","178496","2020-10-21","18:00:00","" "4060754","16.842","0.002","9.077","0.001","19.643","0.002","90","","90","","90","","3002.9","0.6","295","0.2","295","0.2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H38 F6 O Os P2 -","- C29 H33 F6 O Os P2 -","- C116 H132 F24 O4 Os4 P8 -","4","1","","Jorge J. Carbó; Pascale Crochet; Miguel A. Esteruelas; Yves Jean; Agustí Lledós; Ana M. López; Enrique Oñate","Two- and Four-Electron Alkyne Ligands in Osmium-Cyclopentadienyl Chemistry: Consequences of the π⊥→M Interaction","Organometallics","2002","21","","305","314","10.1021/om010645n","","","0.71073","MoKα","","0.0485","0.034","","","0.0718","0.0788","","","","","","1.103","","","","has coordinates,has disorder","178496","2020-10-21","18:00:00","" "4060755","11.4957","0.0002","13.1039","0.0002","17.158","0.0002","75.54","0.001","89.467","0.001","89.489","0.001","2502.61","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","2","[(tris(3,5-di-tert-butyl-2-phenoxy)methane)Al3Me6]","","- C49 H79 Al3 O3 -","- C49 H79 Al3 O3 -","- C98 H158 Al6 O6 -","2","1","","Andrew Cottone, III; Dolores Morales; Jennifer L. Lecuivre; Michael J. Scott","Synthesis and Reactivity of Bi-, Tri-, and Hexametallic and Zwitterionic Methyl Aluminum Complexes Containing a Phenoxide/Imine Ligand System","Organometallics","2002","21","","418","428","10.1021/om010773b","","","0.71073","MoKα","","0.1435","0.0688","","","0.1365","0.1719","","","","","","1.027","","","","has coordinates","178496","2020-10-21","18:00:00","" "4060756","11.5753","0.0008","11.203","0.0007","29.5529","0.0019","90","","90.359","0.001","90","","3832.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6","3-(2,2'-methylene-bis(4,6-di-tert-butyl-phenol)- 5-methylsalicylidenebenzylimine","","- C44 H57 N O3 -","- C44 H57 N O3 -","- C176 H228 N4 O12 -","4","1","","Andrew Cottone, III; Dolores Morales; Jennifer L. Lecuivre; Michael J. Scott","Synthesis and Reactivity of Bi-, Tri-, and Hexametallic and Zwitterionic Methyl Aluminum Complexes Containing a Phenoxide/Imine Ligand System","Organometallics","2002","21","","418","428","10.1021/om010773b","","","0.71073","MoKα","","0.1821","0.0624","","","0.1349","0.1921","","","","","","0.999","","","","has coordinates,has disorder","301829","2025-08-20","12:17:34","" "4060757","10.1422","0.0013","12.3607","0.0016","17.63","0.003","84.566","0.006","75.12","0.005","88.961","0.006","2126.4","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","73THF","N,N'-Bis{3-[2,2'-methylene-bis(4,6-di-tert-butyl-phenol) -5-methylsalicylidene]}-1,2-ethylenediamine","","- C88 H128 N2 O9 -","- C76 H104 N2 O6 -","- C76 H104 N2 O6 -","1","0.5","","Andrew Cottone, III; Dolores Morales; Jennifer L. Lecuivre; Michael J. Scott","Synthesis and Reactivity of Bi-, Tri-, and Hexametallic and Zwitterionic Methyl Aluminum Complexes Containing a Phenoxide/Imine Ligand System","Organometallics","2002","21","","418","428","10.1021/om010773b","","","0.71073","MoKα","","0.1509","0.074","","","0.1597","0.1912","","","","","","0.939","","","","has coordinates","178496","2020-10-21","18:00:00","" "4060758","28.448","0.002","17.2688","0.0013","20.4503","0.0014","90","","90","","90","","10046.4","1.2","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","9CH2Cl2C5H12","[(6)Al2Me3]","","- C53 H77 Al2 Cl2 N O3 -","- C47 H63 Al2 N O3 -","- C376 H504 Al16 N8 O24 -","8","1","","Andrew Cottone, III; Dolores Morales; Jennifer L. Lecuivre; Michael J. Scott","Synthesis and Reactivity of Bi-, Tri-, and Hexametallic and Zwitterionic Methyl Aluminum Complexes Containing a Phenoxide/Imine Ligand System","Organometallics","2002","21","","418","428","10.1021/om010773b","","","0.71073","MoKα","","0.1277","0.0866","","","0.2022","0.2233","","","","","","1.029","","","","has coordinates,has disorder","178496","2020-10-21","18:00:00","" "4060759","11.3973","0.0006","22.8557","0.0012","22.6521","0.0012","90","","103.129","0.001","90","","5746.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","10C5H12","","","- C55 H84 Al3 N O3 -","- C50 H72 Al3 N O3 -","- C200 H288 Al12 N4 O12 -","4","1","","Andrew Cottone, III; Dolores Morales; Jennifer L. Lecuivre; Michael J. Scott","Synthesis and Reactivity of Bi-, Tri-, and Hexametallic and Zwitterionic Methyl Aluminum Complexes Containing a Phenoxide/Imine Ligand System","Organometallics","2002","21","","418","428","10.1021/om010773b","","","0.71073","MoKα","","0.1152","0.0729","","","0.1579","0.1786","","","","","","1.102","","","","has coordinates,has disorder","178496","2020-10-21","18:00:00","" "4060760","13.3899","0.0019","21.173","0.003","18.885","0.003","90","","104.594","0.003","90","","5181","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","112CHCl3","[(7)Al6Me12]","","- C90 H136 Al6 Cl6 N2 O6 -","- C88 H134 Al6 N2 O6 -","- C176 H268 Al12 N4 O12 -","2","0.5","","Andrew Cottone, III; Dolores Morales; Jennifer L. Lecuivre; Michael J. Scott","Synthesis and Reactivity of Bi-, Tri-, and Hexametallic and Zwitterionic Methyl Aluminum Complexes Containing a Phenoxide/Imine Ligand System","Organometallics","2002","21","","418","428","10.1021/om010773b","","","0.71073","MoKα","","0.1749","0.0889","","","0.184","0.2194","","","","","","1.056","","","","has coordinates,has disorder","178496","2020-10-21","18:00:00","" "4060761","12.7251","0.0008","15.7782","0.001","23.4282","0.0014","90","","99.951","0.001","90","","4633.1","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","121CH2Cl2","[(5){AlMe2}{AlMe(OSMe2)}]","","- C44.25 H59.5 Al2 Cl2.5 N O4 S -","- C43 H57 Al2 N O4 S -","- C172 H228 Al8 N4 O16 S4 -","4","1","","Andrew Cottone, III; Dolores Morales; Jennifer L. Lecuivre; Michael J. Scott","Synthesis and Reactivity of Bi-, Tri-, and Hexametallic and Zwitterionic Methyl Aluminum Complexes Containing a Phenoxide/Imine Ligand System","Organometallics","2002","21","","418","428","10.1021/om010773b","","","0.71073","MoKα","","0.1076","0.0549","","","0.1289","0.1419","","","","","","0.903","","","","has coordinates","176467","2020-10-21","18:00:00","" "4060762","9.5604","0.0009","25.374","0.002","17.1538","0.0016","90","","98.415","0.002","90","","4116.4","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","132CH2Cl2","[(5H)+AlMe-]","","- C41 H50 Al Cl4 N O3 -","- C40 H48 Al Cl2 N O3 -","- C160 H192 Al4 Cl8 N4 O12 -","4","1","","Andrew Cottone, III; Dolores Morales; Jennifer L. Lecuivre; Michael J. Scott","Synthesis and Reactivity of Bi-, Tri-, and Hexametallic and Zwitterionic Methyl Aluminum Complexes Containing a Phenoxide/Imine Ligand System","Organometallics","2002","21","","418","428","10.1021/om010773b","","","0.71073","MoKα","","0.1537","0.0705","","","0.1249","0.1522","","","","","","0.982","","","","has coordinates","178496","2020-10-21","18:00:00","" "4060763","9.7969","0.0008","19.075","0.002","20.09","0.003","90","","90","","90","","3754.3","0.8","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H62 N Si3 Y -","- C36 H62 N Si3 Y -","- C144 H248 N4 Si12 Y4 -","4","1","","Michael R. Douglass; Masamichi Ogasawara; Sukwon Hong; Matthew V. Metz; Tobin J. Marks","""Widening the Roof"": Synthesis and Characterization of New Chiral C1-Symmetric Octahydrofluorenyl Organolanthanide Catalysts and Their Implementation in the Stereoselective Cyclizations of Aminoalkenes and Phosphinoalkenes","Organometallics","2002","21","","283","292","10.1021/om0104013","","","0.71073","MoKα","","0.0307","0.0249","","","0.056","0.0574","","","","","","1.005","","","","has coordinates","178496","2020-10-21","18:00:00","" "4060764","11.8694","0.0017","12.8153","0.0018","13.527","0.002","76.633","0.003","82.751","0.003","78.299","0.003","1953.5","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H24 B2 F24 O3 -","- C39 H24 B2 F24 O3 -","- C78 H48 B4 F48 O6 -","2","1","","Lee D. Henderson; Warren E. Piers; Geoffry J. Irvine; Robert McDonald","Anion Stability in Stannylium, Oxonium, and Silylium Salts of the Weakly Coordinating Anion [C~6~F~4~-1,2-{B(C6F5)2}2(μ-OCH3)]^-^","Organometallics","2002","21","","340","345","10.1021/om010750x","","","0.71073","MoKα","","0.181","0.0653","","","0.1053","0.1373","","","","","","0.932","","","","has coordinates,has disorder","178496","2020-10-21","18:00:00","" "4060765","12.9136","0.0002","29.0033","0.0004","18.15","0.0002","90","","129.378","0.001","90","","5254.58","0.12","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 Cl4 N2 O P2 Pt2 -","- C56 H56 Cl4 N2 O P2 Pt2 -","- C224 H224 Cl16 N8 O4 P8 Pt8 -","4","1","","Meijer, Michel D.; Kleij, Arjan W.; Williams, B. Scott; Ellis, Dianne; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Construction of Supported Organometallics Using Cycloplatinated Arylamine Ligands","Organometallics","2002","21","2","264","271","10.1021/om010500g","","","0.71073","MoKα","","0.0476","0.0366","","","0.087","0.0923","","","","","","1.014","","","","has coordinates,has disorder","219038","2020-10-21","18:00:00","" "4060766","32.258","0.0002","9.2442","0.0001","20.817","0.0001","90","","90","","90","","6207.62","0.08","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C33 H35 Cl N O4 P Pt -","- C33 H35 Cl N O4 P Pt -","- C264 H280 Cl8 N8 O32 P8 Pt8 -","8","1","","Meijer, Michel D.; Kleij, Arjan W.; Williams, B. Scott; Ellis, Dianne; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Construction of Supported Organometallics Using Cycloplatinated Arylamine Ligands","Organometallics","2002","21","2","264","271","10.1021/om010500g","","","0.71073","MoKα","","0.0271","0.0222","","","0.0533","0.0553","","","","","","1.046","","","","has coordinates","219038","2020-10-21","18:00:00","" "4060767","30.3152","0.0005","11.1579","0.0002","18.7133","0.0003","90","","116.557","0.0007","90","","5662.01","0.17","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 I2 N2 O4 P2 Pt2 -","- C60 H60 I2 N2 O4 P2 Pt2 -","- C240 H240 I8 N8 O16 P8 Pt8 -","4","0.5","","Meijer, Michel D.; Kleij, Arjan W.; Williams, B. Scott; Ellis, Dianne; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Construction of Supported Organometallics Using Cycloplatinated Arylamine Ligands","Organometallics","2002","21","2","264","271","10.1021/om010500g","","","0.71073","MoKα","","0.0374","0.0269","","","0.0524","0.0554","","","","","","1.025","","","","has coordinates","219038","2020-10-21","18:00:00","" "4060773","10.5408","0.0009","14.7314","0.0012","19.6027","0.0016","90","","92.902","0.002","90","","3040","0.4","293","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ditertbuthyl-bis(mu!2$-bis(1-benzenethiolate)tin(IV)","","- C28 H44 S2 Sn2 -","- C28 H44 S2 Sn2 -","- C112 H176 S8 Sn8 -","4","1","","Cera, Martin; Cerrada, Elena; Laguna, Mariano; Mata, José A.; Teruel, Helena","Ortho-Metalated Benzenethiolate Bridging Dinuclear Palladium(II) Complexes. X-ray Structures of [Sn~2~(μ-C~6~H~4~S)~2~(tBu)~4~] and [Pd~2~(μ-C~6~H~4~S)(μ-dppm)~2~Cl~2~]","Organometallics","2002","21","1","121","126","10.1021/om010538t","","","0.71073","MoKα","","0.0573","0.0391","","","0.0689","0.0731","","","","","","0.904","","","","has coordinates","297721","2025-02-13","15:45:07","" "4060774","34.9734","0.0019","14.0392","0.0008","27.8062","0.0015","90","","127.458","0.001","90","","10837.6","1","566","2","566","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis(mu!2$-bis(diphenylphosphino)methane)-(mu!$-1-benzenethiolate)- dichloro-dipalladium","","- C56 H48 Cl2 N0 P4 Pd2 S -","- C56 H48 Cl2 P4 Pd2 S -","- C448 H384 Cl16 P32 Pd16 S8 -","8","1","","Cera, Martin; Cerrada, Elena; Laguna, Mariano; Mata, José A.; Teruel, Helena","Ortho-Metalated Benzenethiolate Bridging Dinuclear Palladium(II) Complexes. X-ray Structures of [Sn~2~(μ-C~6~H~4~S)~2~(tBu)~4~] and [Pd~2~(μ-C~6~H~4~S)(μ-dppm)~2~Cl~2~]","Organometallics","2002","21","1","121","126","10.1021/om010538t","","","0.71073","MoKα","","0.1098","0.0441","","","0.0768","0.0945","","","","","","0.938","","","","has coordinates","297721","2025-02-13","15:45:08","" "4060782","12.896","0.002","9.091","0.001","16.684","0.004","90","","90","","90","","1956","0.6","213","","213","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H24 I2 N4 Ni -","- C14 H24 I2 N4 Ni -","- C56 H96 I8 N16 Ni4 -","4","0.5","","McGuinness, David S.; Mueller, Wolfgang; Wasserscheid, Peter; Cavell, Kingsley J.; Skelton, Brian W.; White, Allan H.; Englert, Ulli","Nickel(II) Heterocyclic Carbene Complexes as Catalysts for Olefin Dimerization in an Imidazolium Chloroaluminate Ionic Liquid","Organometallics","2002","21","1","175","181","10.1021/om010717a","","","","","","","","","","","","","","","","","","","","","has coordinates","208742","2020-10-21","18:00:00","" "4060783","8.0659","0.0008","8.3373","0.0008","27.188","0.003","83.618","0.003","83.01","0.002","62.557","0.002","1607.4","0.3","150","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 I2 N4 Ni -","- C16 H28 I2 N4 Ni -","- C48 H84 I6 N12 Ni3 -","3","1.5","","McGuinness, David S.; Mueller, Wolfgang; Wasserscheid, Peter; Cavell, Kingsley J.; Skelton, Brian W.; White, Allan H.; Englert, Ulli","Nickel(II) Heterocyclic Carbene Complexes as Catalysts for Olefin Dimerization in an Imidazolium Chloroaluminate Ionic Liquid","Organometallics","2002","21","1","175","181","10.1021/om010717a","","","","","","","","","","","","","","","","","","","","","has coordinates","208742","2020-10-21","18:00:00","" "4060784","8.427","0.001","9.18","0.001","12.841","0.002","90","","107.005","0.002","90","","949.9","0.2","150","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 I2 N4 Ni -","- C14 H24 I2 N4 Ni -","- C28 H48 I4 N8 Ni2 -","2","0.5","","McGuinness, David S.; Mueller, Wolfgang; Wasserscheid, Peter; Cavell, Kingsley J.; Skelton, Brian W.; White, Allan H.; Englert, Ulli","Nickel(II) Heterocyclic Carbene Complexes as Catalysts for Olefin Dimerization in an Imidazolium Chloroaluminate Ionic Liquid","Organometallics","2002","21","1","175","181","10.1021/om010717a","","","","","","","","","","","","","","","","","","","","","has coordinates","208742","2020-10-21","18:00:00","" "4060785","32.052","0.002","9.1587","0.0005","17.4316","0.0009","90","","111.257","0.001","90","","4769","0.5","150","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H32 I2 N4 Ni -","- C18 H32 I2 N4 Ni -","- C144 H256 I16 N32 Ni8 -","8","1","","McGuinness, David S.; Mueller, Wolfgang; Wasserscheid, Peter; Cavell, Kingsley J.; Skelton, Brian W.; White, Allan H.; Englert, Ulli","Nickel(II) Heterocyclic Carbene Complexes as Catalysts for Olefin Dimerization in an Imidazolium Chloroaluminate Ionic Liquid","Organometallics","2002","21","1","175","181","10.1021/om010717a","","","","","","","","","","","","","","","","","","","","","has coordinates","208742","2020-10-21","18:00:00","" "4060789","10.485","0.002","11.72","0.002","12.401","0.002","90","","90","","90","","1523.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 O Ru -","- C16 H24 O Ru -","- C64 H96 O4 Ru4 -","4","1","","Navarro Clemente, M. Elena; Juárez Saavedra, Patricia; Cervantes Vásquez, Marisol; Paz-Sandoval, M. Angeles; Arif, Atta M.; Ernst, Richard D.","Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes and Their Oxodienyl Analogues","Organometallics","2002","21","4","592","605","10.1021/om010735s","","","","","","","0.0326","","","0.0766","","","","","","","","","","","has coordinates","205775","2020-10-21","18:00:00","" "4060790","8.829","0.002","15.605","0.003","15.274","0.003","90","","96.64","0.2","90","","2090.28","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cl4 O Ru Sn -","- C16 H24 Cl4 O Ru Sn -","- C64 H96 Cl16 O4 Ru4 Sn4 -","4","1","","Navarro Clemente, M. Elena; Juárez Saavedra, Patricia; Cervantes Vásquez, Marisol; Paz-Sandoval, M. Angeles; Arif, Atta M.; Ernst, Richard D.","Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes and Their Oxodienyl Analogues","Organometallics","2002","21","4","592","605","10.1021/om010735s","","","","","","","","","","","","","","","","","","","","","has coordinates","205775","2020-10-21","18:00:00","" "4060791","11.604","0.002","13.304","0.003","13.488","0.003","90","","90","","90","","2082.3","0.8","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 O Ru -","- C22 H36 O Ru -","- C88 H144 O4 Ru4 -","4","1","","Navarro Clemente, M. Elena; Juárez Saavedra, Patricia; Cervantes Vásquez, Marisol; Paz-Sandoval, M. Angeles; Arif, Atta M.; Ernst, Richard D.","Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes and Their Oxodienyl Analogues","Organometallics","2002","21","4","592","605","10.1021/om010735s","","","","","","","0.0412","","","0.112","","","","","","","","","","","has coordinates","205775","2020-10-21","18:00:00","" "4060792","8.829","0.002","8.526","0.002","21.244","0.004","90","","99.98","0.03","90","","1575","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 O3 Ru -","- C16 H24 O3 Ru -","- C64 H96 O12 Ru4 -","4","1","","Navarro Clemente, M. Elena; Juárez Saavedra, Patricia; Cervantes Vásquez, Marisol; Paz-Sandoval, M. Angeles; Arif, Atta M.; Ernst, Richard D.","Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes and Their Oxodienyl Analogues","Organometallics","2002","21","4","592","605","10.1021/om010735s","","","","","","","0.033","","","0.0835","","","","","","","","","","","has coordinates","205775","2020-10-21","18:00:00","" "4060793","9.841","0.003","13.594","0.004","11.172","0.012","90","0.012","92.89","0.06","90","0.06","1492.7","1.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 O2 Ru -","- C16 H22 O2 Ru -","- C64 H88 O8 Ru4 -","4","1","","Navarro Clemente, M. Elena; Juárez Saavedra, Patricia; Cervantes Vásquez, Marisol; Paz-Sandoval, M. Angeles; Arif, Atta M.; Ernst, Richard D.","Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes and Their Oxodienyl Analogues","Organometallics","2002","21","4","592","605","10.1021/om010735s","","","","","","","0.0367","","","0.0951","","","","","","","","","","","has coordinates","205775","2020-10-21","18:00:00","" "4060794","18.38","0.002","9.6947","0.0007","18.467","0.002","90","0.002","117.628","0.01","90","0.01","2915.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 O P Ru -","- C34 H39 O P Ru -","- C136 H156 O4 P4 Ru4 -","4","1","","Navarro Clemente, M. Elena; Juárez Saavedra, Patricia; Cervantes Vásquez, Marisol; Paz-Sandoval, M. Angeles; Arif, Atta M.; Ernst, Richard D.","Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes and Their Oxodienyl Analogues","Organometallics","2002","21","4","592","605","10.1021/om010735s","","","","","","","","","","","","","","","","","","","","","has coordinates","205775","2020-10-21","18:00:00","" "4060795","8.4583","0.001","26.5482","0.001","12.5414","0.001","90","","90.781","0.01","90","","2815.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Cl3 Ru2 -","- C27 H38 Cl3 Ru2 -","- C108 H152 Cl12 Ru8 -","4","1","","Navarro Clemente, M. Elena; Juárez Saavedra, Patricia; Cervantes Vásquez, Marisol; Paz-Sandoval, M. Angeles; Arif, Atta M.; Ernst, Richard D.","Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes and Their Oxodienyl Analogues","Organometallics","2002","21","4","592","605","10.1021/om010735s","","","","","","","","","","","","","","","","","","","","","has coordinates","205775","2020-10-21","18:00:00","" "4060796","14.633","0.002","30.16","0.002","10.8636","0.0009","90","","92.414","0.009","90","","4790.1","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 B20 O2 P2 Rh2 S2 -","- C34 H40 B20 O2 P2 Rh2 S2 -","- C136 H160 B80 O8 P8 Rh8 S8 -","4","1","","Lee, Heung-Sae; Bae, Jin-Young; Kim, Dae-Hyun; Kim, Hoon Sik; Kim, Sung-Joon; Cho, Sungil; Ko, Jaejung; Kang, Sang Ook","Rhodium and Iridium Phosphinothiolato Complexes. Synthesis and Crystal Structures of Mononuclear [M(cod)(S,P-SC~2~B~10~H~10~PPh~2~)] and Dinuclear [M~2~(CO)~2~(S,P-μ-SC~2~B~10~H~10~PPh~2~)] (M = Rh, Ir) and Their Performance in Catalytic Carbonylation","Organometallics","2002","21","1","210","219","10.1021/om0107789","","","0.7107","MoKα","","0.1995","0.0689","","","0.1531","0.2063","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00","" "4060797","11.6078","0.0006","21.913","0.001","11.6386","0.0008","90","","96.846","0.005","90","","2939.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 B10 O P2 Rh S -","- C21 H35 B10 O P2 Rh S -","- C84 H140 B40 O4 P8 Rh4 S4 -","4","1","","Lee, Heung-Sae; Bae, Jin-Young; Kim, Dae-Hyun; Kim, Hoon Sik; Kim, Sung-Joon; Cho, Sungil; Ko, Jaejung; Kang, Sang Ook","Rhodium and Iridium Phosphinothiolato Complexes. Synthesis and Crystal Structures of Mononuclear [M(cod)(S,P-SC~2~B~10~H~10~PPh~2~)] and Dinuclear [M~2~(CO)~2~(S,P-μ-SC~2~B~10~H~10~PPh~2~)] (M = Rh, Ir) and Their Performance in Catalytic Carbonylation","Organometallics","2002","21","1","210","219","10.1021/om0107789","","","0.7107","MoKα","","0.123","0.0494","","","0.1264","0.1622","","","","","","0.943","","","","has coordinates","176428","2020-10-21","18:00:00","" "4060798","12.6869","0.001","11.101","0.0006","18.7413","0.001","90","","99.366","0.006","90","","2604.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 B10 Ir P S -","- C22 H32 B10 Ir P S -","- C88 H128 B40 Ir4 P4 S4 -","4","1","","Lee, Heung-Sae; Bae, Jin-Young; Kim, Dae-Hyun; Kim, Hoon Sik; Kim, Sung-Joon; Cho, Sungil; Ko, Jaejung; Kang, Sang Ook","Rhodium and Iridium Phosphinothiolato Complexes. Synthesis and Crystal Structures of Mononuclear [M(cod)(S,P-SC~2~B~10~H~10~PPh~2~)] and Dinuclear [M~2~(CO)~2~(S,P-μ-SC~2~B~10~H~10~PPh~2~)] (M = Rh, Ir) and Their Performance in Catalytic Carbonylation","Organometallics","2002","21","1","210","219","10.1021/om0107789","","","0.7107","MoKα","","0.0373","0.0235","","","0.0733","0.0861","","","","","","0.703","","","","has coordinates","176428","2020-10-21","18:00:00","" "4060800","12.6713","0.0013","11.114","0.002","18.743","0.003","90","","99.061","0.011","90","","2606.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 B10 P Rh S -","- C22 H32 B10 P Rh S -","- C88 H128 B40 P4 Rh4 S4 -","4","1","","Lee, Heung-Sae; Bae, Jin-Young; Kim, Dae-Hyun; Kim, Hoon Sik; Kim, Sung-Joon; Cho, Sungil; Ko, Jaejung; Kang, Sang Ook","Rhodium and Iridium Phosphinothiolato Complexes. Synthesis and Crystal Structures of Mononuclear [M(cod)(S,P-SC~2~B~10~H~10~PPh~2~)] and Dinuclear [M~2~(CO)~2~(S,P-μ-SC~2~B~10~H~10~PPh~2~)] (M = Rh, Ir) and Their Performance in Catalytic Carbonylation","Organometallics","2002","21","1","210","219","10.1021/om0107789","","","0.7107","MoKα","","0.0421","0.0279","","","0.0908","0.104","","","","","","0.864","","","","has coordinates","176428","2020-10-21","18:00:00","" "4060801","14.897","0.0014","29.9518","0.0017","10.8565","0.0008","90","","92.945","0.007","90","","4837.7","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 B20 Ir2 O2 P2 S2 -","- C30 H40 B20 Ir2 O2 P2 S2 -","- C120 H160 B80 Ir8 O8 P8 S8 -","4","1","","Lee, Heung-Sae; Bae, Jin-Young; Kim, Dae-Hyun; Kim, Hoon Sik; Kim, Sung-Joon; Cho, Sungil; Ko, Jaejung; Kang, Sang Ook","Rhodium and Iridium Phosphinothiolato Complexes. Synthesis and Crystal Structures of Mononuclear [M(cod)(S,P-SC~2~B~10~H~10~PPh~2~)] and Dinuclear [M~2~(CO)~2~(S,P-μ-SC~2~B~10~H~10~PPh~2~)] (M = Rh, Ir) and Their Performance in Catalytic Carbonylation","Organometallics","2002","21","1","210","219","10.1021/om0107789","","","0.7107","MoKα","","0.1143","0.0506","","","0.1429","0.183","","","","","","1.174","","","","has coordinates","176428","2020-10-21","18:00:00","" "4060802","14.762","0.0007","16.585","0.0007","25.978","0.0007","90","","92.688","0.002","90","","6353.1","0.4","293","2","253","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H76 B20 O6 P2 Rh2 S2 -","- C24 H22 B10 O3 P Rh S -","- C192 H176 B80 O24 P8 Rh8 S8 -","8","1","","Lee, Heung-Sae; Bae, Jin-Young; Kim, Dae-Hyun; Kim, Hoon Sik; Kim, Sung-Joon; Cho, Sungil; Ko, Jaejung; Kang, Sang Ook","Rhodium and Iridium Phosphinothiolato Complexes. Synthesis and Crystal Structures of Mononuclear [M(cod)(S,P-SC~2~B~10~H~10~PPh~2~)] and Dinuclear [M~2~(CO)~2~(S,P-μ-SC~2~B~10~H~10~PPh~2~)] (M = Rh, Ir) and Their Performance in Catalytic Carbonylation","Organometallics","2002","21","1","210","219","10.1021/om0107789","","","0.71069","MoKα","","0.0679","0.0551","","","0.1641","0.181","","","","","","1.396","","","","has coordinates","178497","2020-10-21","18:00:00","" "4060810","20.3262","0.0004","15.3816","0.0003","15.2066","0.0003","90","","90","","90","","4754.3","0.1","183.2","","183.2","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C53 H47 Cl2 F6 Ir N P3 -","- C45.5 H42.5 Cl F5 Ir0.5 N0.5 P2.5 -","- C182 H170 Cl4 F20 Ir2 N2 P10 -","4","0.5","","Clot, Eric; Eisenstein, Odile; Dubé, Tiffany; Faller, Jack W.; Crabtree, Robert H.","Interplay of Weak Interactions: An Iridium(III) System with an Agostic tert-Butyl but a Nonagostic Isopropyl Group","Organometallics","2002","21","3","575","580","10.1021/om010802i","","","0.7107","MoKα","","0.0608","0.0308","","0.1411","","0.0363","","","3.317","","","1.082","","","","has coordinates","134278","2020-10-21","18:00:00","" "4060811","11.1421","0.0003","11.4068","0.0003","17.9943","0.0006","80.692","0.002","81.153","0.002","79.941","0.002","2203.6","0.1","183.2","","183.2","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H47 B F4 Ir N P2 -","- C53 H47 B F4 Ir N P2 -","- C106 H94 B2 F8 Ir2 N2 P4 -","2","1","","Clot, Eric; Eisenstein, Odile; Dubé, Tiffany; Faller, Jack W.; Crabtree, Robert H.","Interplay of Weak Interactions: An Iridium(III) System with an Agostic tert-Butyl but a Nonagostic Isopropyl Group","Organometallics","2002","21","3","575","580","10.1021/om010802i","","","0.7107","MoKα","","0.0542","0.033","","0.068","","0.029","","","2.793","","","1.34","","","","has coordinates","134278","2020-10-21","18:00:00","" "4060815","8.588","0.001","9.3975","0.0009","15.728","0.001","90","","104.125","0.008","90","","1231","0.2","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 Ir2 S4 -","- C20 H30 Ir2 S4 -","- C40 H60 Ir4 S8 -","2","0.5","","Takagi, Fusao; Seino, Hidetake; Mizobe, Yasushi; Hidai, Masanobu","Synthesis of a New Tetrakis(hydrosulfido) Diiridium Complex and Its Conversion into Homo- and Heterometallic Sulfido-Hydrosulfido Clusters","Organometallics","2002","21","4","694","699","10.1021/om0108550","","","0.7107","MoKα","","0.0684","0.0589","","","","0.1668","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00","" "4060816","17.522","0.002","19.011","0.002","12.912","0.001","90","","122.465","0.007","90","","3628.8","0.7","296.2","","296.2","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C33 H50 Ir3 S4 -","- C33 Ir3 S4 -","- C132 Ir12 S16 -","4","0.5","","Takagi, Fusao; Seino, Hidetake; Mizobe, Yasushi; Hidai, Masanobu","Synthesis of a New Tetrakis(hydrosulfido) Diiridium Complex and Its Conversion into Homo- and Heterometallic Sulfido-Hydrosulfido Clusters","Organometallics","2002","21","4","694","699","10.1021/om0108550","","","0.7107","MoKα","","0.0478","0.0478","","","0.0588","0.0588","","","","","","1.944","","","","has coordinates","176428","2020-10-21","18:00:00","" "4060817","9.894","0.002","19.736","0.003","18.098","0.002","90","","90","","90","","3533","1","296.2","","296.2","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C30 H48 Cl Ir3 S4 -","- C30 H48 Cl Ir3 S4 -","- C120 H192 Cl4 Ir12 S16 -","4","0.5","","Takagi, Fusao; Seino, Hidetake; Mizobe, Yasushi; Hidai, Masanobu","Synthesis of a New Tetrakis(hydrosulfido) Diiridium Complex and Its Conversion into Homo- and Heterometallic Sulfido-Hydrosulfido Clusters","Organometallics","2002","21","4","694","699","10.1021/om0108550","","","0.7107","MoKα","","0.0327","0.0327","","","0.034","0.034","","","","","","1.298","","","","has coordinates","134049","2020-10-21","18:00:00","" "4060818","12.867","0.002","11.171","0.003","41.674","0.005","90","","92.71","0.02","90","","5983","1","296.2","","296.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H68 Ir2 O P2 Pd2 S4 -","- C60 H68 Ir2 O P2 Pd2 S4 -","- C240 H272 Ir8 O4 P8 Pd8 S16 -","4","1","","Takagi, Fusao; Seino, Hidetake; Mizobe, Yasushi; Hidai, Masanobu","Synthesis of a New Tetrakis(hydrosulfido) Diiridium Complex and Its Conversion into Homo- and Heterometallic Sulfido-Hydrosulfido Clusters","Organometallics","2002","21","4","694","699","10.1021/om0108550","","","0.7107","MoKα","","0.0595","0.0595","","","0.0614","0.0614","","","","","","1.719","","","","has coordinates","176428","2020-10-21","18:00:00","" "4060832","18.5752","0.0006","11.7546","0.0004","13.8703","0.0005","90","","95.708","0.001","90","","3013.5","0.2","120","2","120","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","mer-trans-tris(rimethylphosphine)-bis- -(4-methoxyphenylethynyl)rhodium chloride","","- C27 H41 Cl O2 P3 Rh -","- C27 H41 Cl O2 P3 Rh -","- C108 H164 Cl4 O8 P12 Rh4 -","4","1","","Jonathan P. Rourke; Graham Stringer; Pauline Chow; Robert J. Deeth; Dmitri S. Yufit; Judith A. K. Howard; Todd B. Marder","Mechanism of Formation of [(PMe3)3Rh(-C≡C-R)2(H)] via C-H Oxidative Addition: Isomerization, Alkyne Exchange, and Hydride Replacement","Organometallics","2002","21","","429","437","10.1021/om010685r","","","0.71073","MoKα","","0.0258","0.0236","","","0.0565","0.0588","","","","","","1.088","","","","has coordinates","178497","2020-10-21","18:00:00","" "4060833","10.5365","0.0006","18.3753","0.0011","19.7029","0.0012","90","","90","","90","","3814.7","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H53 Cl2 Mo N O3 -","- C39 H53 Cl2 Mo N O3 -","- C156 H212 Cl8 Mo4 N4 O12 -","4","1","","Richard R. Schrock; Jennifer Y. Jamieson; Sarah J. Dolman; Stephen A. Miller; Peter J. Bonitatebus, Jr.; Amir H. Hoveyda","New Chiral Molybdenum Catalysts for Asymmetric Olefin Metathesis that Contain 3,3'-Disubstituted Octahydrobinaphtholate or 2,6-Dichlorophenylimido Ligands","Organometallics","2002","21","","409","417","10.1021/om0107441","","","0.71073","MoKα","","0.0567","0.0502","","","0.1243","0.128","","","","","","1.044","","","","has coordinates","178497","2020-10-21","18:00:00","" "4060834","13.755","0.005","20.578","0.007","21.263","0.007","90","","90","","90","","6018","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H87 Mo N O4 -","- C68 H87 Mo N O4 -","- C272 H348 Mo4 N4 O16 -","4","1","","Richard R. Schrock; Jennifer Y. Jamieson; Sarah J. Dolman; Stephen A. Miller; Peter J. Bonitatebus, Jr.; Amir H. Hoveyda","New Chiral Molybdenum Catalysts for Asymmetric Olefin Metathesis that Contain 3,3'-Disubstituted Octahydrobinaphtholate or 2,6-Dichlorophenylimido Ligands","Organometallics","2002","21","","409","417","10.1021/om0107441","","","0.71073","MoKα","","0.1126","0.0663","","","0.1101","0.1261","","","","","","1.028","","","","has coordinates","178497","2020-10-21","18:00:00","" "4060835","13.773","0.005","17.182","0.006","21.696","0.008","90","","90","","90","","5134","3","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C61 H61 Cl2 Mo N O3 -","- C61 H61 Cl2 Mo N O3 -","- C244 H244 Cl8 Mo4 N4 O12 -","4","1","","Richard R. Schrock; Jennifer Y. Jamieson; Sarah J. Dolman; Stephen A. Miller; Peter J. Bonitatebus, Jr.; Amir H. Hoveyda","New Chiral Molybdenum Catalysts for Asymmetric Olefin Metathesis that Contain 3,3'-Disubstituted Octahydrobinaphtholate or 2,6-Dichlorophenylimido Ligands","Organometallics","2002","21","","409","417","10.1021/om0107441","","","0.71073","MoKα","","0.052","0.0435","","","0.0994","0.1034","","","","","","1.027","","","","has coordinates","178497","2020-10-21","18:00:00","" "4060836","15.937","0.003","8.2553","0.0012","17.41","0.003","90","","100.285","0.012","90","","2253.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 I N3 Pd -","- C24 H24 I N3 Pd -","- C96 H96 I4 N12 Pd4 -","4","1","","José Vicente; José-Antonio Abad; Andrew D. Frankland; Joaquín López-Serrano; M. Carmen Ramírez de Arellano; Peter G. Jones","Synthesis and Reactivity toward Isonitriles of (2-Aminoaryl)palladium(II) Complexes","Organometallics","2002","21","","272","282","10.1021/om0104971","","","0.71073","MoKα","","0.039","0.0301","","","0.0743","0.0764","","","","","","1.069","","","","has coordinates","178497","2020-10-21","18:00:00","" "4060837","12.966","0.003","12.378","0.003","18.662","0.004","90","","90.28","0.03","90","","2995.2","1.2","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 I N4 Pd -","- C33 H33 I N4 Pd -","- C132 H132 I4 N16 Pd4 -","4","1","","José Vicente; José-Antonio Abad; Andrew D. Frankland; Joaquín López-Serrano; M. Carmen Ramírez de Arellano; Peter G. Jones","Synthesis and Reactivity toward Isonitriles of (2-Aminoaryl)palladium(II) Complexes","Organometallics","2002","21","","272","282","10.1021/om0104971","","","0.71073","MoKα","","0.0431","0.0323","","","0.0626","0.0682","","","","","","1.043","","","","has coordinates","178497","2020-10-21","18:00:00","" "4060838","12.3735","0.0006","20.9499","0.0013","13.3414","0.0007","90","","98.804","0.004","90","","3417.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 F3 N4 O3 Pd S -","- C34 H33 F3 N4 O3 Pd S -","- C136 H132 F12 N16 O12 Pd4 S4 -","4","1","","José Vicente; José-Antonio Abad; Andrew D. Frankland; Joaquín López-Serrano; M. Carmen Ramírez de Arellano; Peter G. Jones","Synthesis and Reactivity toward Isonitriles of (2-Aminoaryl)palladium(II) Complexes","Organometallics","2002","21","","272","282","10.1021/om0104971","","","0.71073","MoKα","","0.0464","0.0321","","","0.0649","0.0695","","","","","","1.022","","","","has coordinates","178497","2020-10-21","18:00:00","" "4060839","8.1272","0.001","13.6972","0.0014","15.9747","0.0016","71.629","0.008","81.219","0.01","78.774","0.01","1647.4","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H32 F3 N5 O3 Pd S -","- C35 H32 F3 N5 O3 Pd S -","- C70 H64 F6 N10 O6 Pd2 S2 -","2","1","","José Vicente; José-Antonio Abad; Andrew D. Frankland; Joaquín López-Serrano; M. Carmen Ramírez de Arellano; Peter G. Jones","Synthesis and Reactivity toward Isonitriles of (2-Aminoaryl)palladium(II) Complexes","Organometallics","2002","21","","272","282","10.1021/om0104971","","","0.71073","MoKα","","0.0413","0.0369","","","0.1003","0.1025","","","","","","1.043","","","","has coordinates,has disorder","178497","2020-10-21","18:00:00","" "4060840","43.682","0.008","14.327","0.003","20.743","0.004","90","","102.67","0.02","90","","12665","4","143","2","143","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H66 F6 N4 O6 P2 Pd2 S2 -","- C58 H66 F6 N4 O6 P2 Pd2 S2 -","- C464 H528 F48 N32 O48 P16 Pd16 S16 -","8","1","","José Vicente; José-Antonio Abad; Andrew D. Frankland; Joaquín López-Serrano; M. Carmen Ramírez de Arellano; Peter G. Jones","Synthesis and Reactivity toward Isonitriles of (2-Aminoaryl)palladium(II) Complexes","Organometallics","2002","21","","272","282","10.1021/om0104971","","","0.71073","MoKα","","0.112","0.0715","","","0.1793","0.2003","","","","","","1.063","","","","has coordinates,has disorder","178497","2020-10-21","18:00:00","" "4060841","14.3153","0.0006","23.4738","0.0009","15.8732","0.0007","90","","105.903","0.003","90","","5129.8","0.4","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 Cl2 F3 I N6 O3 Pd2 S -","- C50 H50 Cl2 F3 I N6 O3 Pd2 S -","- C200 H200 Cl8 F12 I4 N24 O12 Pd8 S4 -","4","1","","José Vicente; José-Antonio Abad; Andrew D. Frankland; Joaquín López-Serrano; M. Carmen Ramírez de Arellano; Peter G. Jones","Synthesis and Reactivity toward Isonitriles of (2-Aminoaryl)palladium(II) Complexes","Organometallics","2002","21","","272","282","10.1021/om0104971","","","0.71073","MoKα","","0.0342","0.0247","","","0.0587","0.0614","","","","","","1.041","","","","has coordinates","178497","2020-10-21","18:00:00","" "4060842","11.6708","0.0018","14.029","0.002","18.294","0.003","100.938","0.014","103.146","0.012","111.112","0.01","2596.4","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C46.5 H43 Cl3 F6 N6 O6 Pd S2 -","- C46.5 H43 Cl3 F6 N6 O6 Pd S2 -","- C93 H86 Cl6 F12 N12 O12 Pd2 S4 -","2","1","","José Vicente; José-Antonio Abad; Andrew D. Frankland; Joaquín López-Serrano; M. Carmen Ramírez de Arellano; Peter G. Jones","Synthesis and Reactivity toward Isonitriles of (2-Aminoaryl)palladium(II) Complexes","Organometallics","2002","21","","272","282","10.1021/om0104971","","","0.71073","MoKα","","0.0634","0.0493","","","0.1243","0.1325","","","","","","1.041","","","","has coordinates,has disorder","301829","2025-08-20","12:17:34","" "4076622","12.27","0.0014","10.107","0.0011","17.521","0.0019","90","","95.624","0.002","90","","2162.4","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O8 Ru2 -","- C22 H16 O8 Ru2 -","- C88 H64 O32 Ru8 -","4","1","","Byrne, Lindsay T.; Hos, James P.; Koutsantonis, George A.; Sanford, Vanessa; Skelton, Brian W.; White, Allan H.","Carbon Chain Formation on Metallic Arrays. X-ray Structural Determinations of [Ru4(μ4-(CCC(CO2Me)C(CO2Me))(η-C5H4R)2(μ-CO)(CO)8], [{Ru(CO)2(η-C5H5)}2{μ-CCC(CO2Me)C(CO2Me)C(O)}], and [{Ru(CO)2(η-C5H5)2{μ-CC(CN)2CC(CN)2}] (R = H, Me)","Organometallics","2002","21","15","3147","","10.1021/om0101745","","","0.71073","MoKα","","0.052","0.032","","0.042","","0.039","","","1.215","","","1.344","","","","has coordinates","176432","2020-10-21","18:00:00","" "4076623","8.3685","0.0007","7.8859","0.0006","16.355","0.001","90","","101.912","0.001","90","","1056.08","0.14","293","","293","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H10 N4 O4 Ru2 -","- C22 H10 N4 O4 Ru2 -","- C44 H20 N8 O8 Ru4 -","2","0.5","","Byrne, Lindsay T.; Hos, James P.; Koutsantonis, George A.; Sanford, Vanessa; Skelton, Brian W.; White, Allan H.","Carbon Chain Formation on Metallic Arrays. X-ray Structural Determinations of [Ru4(μ4-(CCC(CO2Me)C(CO2Me))(η-C5H4R)2(μ-CO)(CO)8], [{Ru(CO)2(η-C5H5)}2{μ-CCC(CO2Me)C(CO2Me)C(O)}], and [{Ru(CO)2(η-C5H5)2{μ-CC(CN)2CC(CN)2}] (R = H, Me)","Organometallics","2002","21","15","3147","","10.1021/om0101745","","","0.71073","MoKα","","0.022","0.02","","0.034","","0.033","","","1.341","","","1.363","","","","has coordinates","176432","2020-10-21","18:00:00","" "4076624","9.786","0.001","11.209","0.002","13.945","0.002","81.903","0.002","72.796","0.002","90.413","0.003","1444.7","0.4","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H16 O13 Ru4 -","- C27 H16 O13 Ru4 -","- C54 H32 O26 Ru8 -","2","1","","Byrne, Lindsay T.; Hos, James P.; Koutsantonis, George A.; Sanford, Vanessa; Skelton, Brian W.; White, Allan H.","Carbon Chain Formation on Metallic Arrays. X-ray Structural Determinations of [Ru4(μ4-(CCC(CO2Me)C(CO2Me))(η-C5H4R)2(μ-CO)(CO)8], [{Ru(CO)2(η-C5H5)}2{μ-CCC(CO2Me)C(CO2Me)C(O)}], and [{Ru(CO)2(η-C5H5)2{μ-CC(CN)2CC(CN)2}] (R = H, Me)","Organometallics","2002","21","15","3147","","10.1021/om0101745","","","0.71073","MoKα","","0.092","0.062","","0.103","","0.074","","","1.728","","","1.42","","","","has coordinates","176432","2020-10-21","18:00:00","" "4076625","9.6402","0.0007","11.5159","0.0009","14.7985","0.0011","80.74","0.001","76.015","0.001","89.916","0.001","1572.2","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 O13 Ru4 -","- C29 H20 O13 Ru4 -","- C58 H40 O26 Ru8 -","2","1","","Byrne, Lindsay T.; Hos, James P.; Koutsantonis, George A.; Sanford, Vanessa; Skelton, Brian W.; White, Allan H.","Carbon Chain Formation on Metallic Arrays. X-ray Structural Determinations of [Ru4(μ4-(CCC(CO2Me)C(CO2Me))(η-C5H4R)2(μ-CO)(CO)8], [{Ru(CO)2(η-C5H5)}2{μ-CCC(CO2Me)C(CO2Me)C(O)}], and [{Ru(CO)2(η-C5H5)2{μ-CC(CN)2CC(CN)2}] (R = H, Me)","Organometallics","2002","21","15","3147","","10.1021/om0101745","","","0.71073","MoKα","","0.035","0.026","","0.033","","0.031","","","0.996","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00","" "4076626","12.438","0.003","13.32","0.003","13.95","0.003","91.86","0.03","90.51","0.03","107.71","0.03","2200","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","Di[2,6-bis(ν^5^-cyclopentadienylmethylen)pyridin(μ^2^-triflate)Neodyme(III)]","","- C18.5 H17 Cl2 F3 N Nd O3 S -","- C19 H17 Cl2 F3 N Nd O3 S -","- C76 H68 Cl8 F12 N4 Nd4 O12 S4 -","4","2","","Paolucci, Gino; Zanon, Jacopo; Lucchini, Vittorio; Damrau, Wulf-Erich; Siebel, Eric; Fischer, R. Dieter","New Dinuclear 5-ansa-Lanthanocene Derivatives. Crystal Structures of [Ln{2,6-(CH2C5H4)2C5H3N}μ-O2SOCF3]2(Ln = Nd, Y, Yb) and a VT Solution NMR (1H,19F) Study of the Fluxional Yttrium Homologue","Organometallics","2002","21","6","1088","","10.1021/om0104868","","","0.71073","MoKα","","0.0418","0.033","","0.1142","0.1018","","","","0.743","0.716","0.716","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076627","7.515","0.002","10.637","0.002","16.18","0.003","94.56","0.03","94.54","0.03","92.04","0.03","1284.1","0.5","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H10 Co O13 -","- C20 H10 Co4 O13 -","- C40 H20 Co8 O26 -","2","1","","Soleilhavoup, Michèle; Saccavini, Catherine; Lepetit, Christine; Lavigne, Guy; Maurette, Luc; Donnadieu, Bruno; Chauvin, Remi","Parallel Approaches to Mono- and Bis-Propargylic Activation via Co2(CO)8and [Ru3(μ-Cl)(CO)10]-","Organometallics","2002","21","5","871","","10.1021/om010568w","","","0.71073","MoKα","","0.1321","0.0497","","","0.0869","0.1103","","","","","","0.879","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076628","9.222","0.002","9.347","0.002","12.697","0.003","73.3","0.03","87.57","0.03","62.87","0.03","927.9","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 Co2 O10 -","- C14 H10 Co2 O10 -","- C28 H20 Co4 O20 -","2","1","","Soleilhavoup, Michèle; Saccavini, Catherine; Lepetit, Christine; Lavigne, Guy; Maurette, Luc; Donnadieu, Bruno; Chauvin, Remi","Parallel Approaches to Mono- and Bis-Propargylic Activation via Co2(CO)8and [Ru3(μ-Cl)(CO)10]-","Organometallics","2002","21","5","871","","10.1021/om010568w","","","0.71073","MoKα","","0.0699","0.0395","","","0.092","0.1052","","","","","","0.942","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076629","9.443","0.002","9.501","0.002","10.194","0.002","77.43","0.03","87.03","0.03","86.13","0.03","890","0.3","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H5 Cl O9 Ru3 -","- C13 H5 Cl O9 Ru3 -","- C26 H10 Cl2 O18 Ru6 -","2","1","","Soleilhavoup, Michèle; Saccavini, Catherine; Lepetit, Christine; Lavigne, Guy; Maurette, Luc; Donnadieu, Bruno; Chauvin, Remi","Parallel Approaches to Mono- and Bis-Propargylic Activation via Co2(CO)8and [Ru3(μ-Cl)(CO)10]-","Organometallics","2002","21","5","871","","10.1021/om010568w","","","0.71073","MoKα","","0.0253","0.0233","","","0.0582","0.0593","","","","","","1.035","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076630","7.429","0.0001","13.7402","0.0002","26.0687","0.0004","90","","90","","90","","2660.99","0.07","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 Ni O2 -","- C16 H14 N2 Ni O2 -","- C128 H112 N16 Ni8 O16 -","8","1","","DiMauro, Erin F.; Kozlowski, Marisa C.","Late-Transition-Metal Complexes of BINOL-Derived Salens: Synthesis, Structure, and Reactivity","Organometallics","2002","21","7","1454","","10.1021/om010571f","","","0.71069","MoKα","","0.072","0.0629","","0.1253","0.1198","","","","1.304","1.305","1.305","","","","","has coordinates","301830","2025-08-20","13:17:24","" "4076631","14.9158","0.0005","17.2044","0.0008","18.3523","0.0006","90","","97.04","0.003","90","","4674","0.3","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49 H38 Cl6 N2 Ni O4 -","- C48 H36 N2 Ni O4 -","- C192 H144 N8 Ni4 O16 -","4","2","","DiMauro, Erin F.; Kozlowski, Marisa C.","Late-Transition-Metal Complexes of BINOL-Derived Salens: Synthesis, Structure, and Reactivity","Organometallics","2002","21","7","1454","","10.1021/om010571f","","","0.71069","MoKα","","0.11","0.0948","","0.2414","0.2276","","","","1.075","1.123","1.123","","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076632","11.8168","0.0008","12.8713","0.0008","36.274","0.002","90","","96.236","0.001","90","","5484.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H44 Cl4 Co2 O4 P4 -","- C57 H44 Cl4 Co2 O4 P4 -","- C228 H176 Cl16 Co8 O16 P16 -","4","1","","Hong, Fung-E; Chang,; Chang, Ruei-E; Chen, Shu-Chun; Ko, Bao-Tsan","Bis(diphenylphosphino)acetylene as Bifunctional Ligand in Dicobalt Carbonyl Complexes","Organometallics","2002","21","5","961","","10.1021/om0106783","","","0.71073","MoKα","","0.0667","0.0524","","","0.1617","0.1709","","","","","","1.225","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076633","11.9109","0.001","12.0575","0.001","18.3823","0.0015","73.746","0.002","89.55","0.002","74.33","0.002","2433.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H42 Co2 O5 P4 -","- C55 H42 Co2 O5 P4 -","- C110 H84 Co4 O10 P8 -","2","1","","Hong, Fung-E; Chang,; Chang, Ruei-E; Chen, Shu-Chun; Ko, Bao-Tsan","Bis(diphenylphosphino)acetylene as Bifunctional Ligand in Dicobalt Carbonyl Complexes","Organometallics","2002","21","5","961","","10.1021/om0106783","","","0.71073","MoKα","","0.0861","0.0579","","","0.1499","0.1785","","","","","","1.224","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076634","12.2123","0.0008","14.3194","0.0009","15.9432","0.001","89.428","0.001","73.523","0.001","66.42","0.001","2433.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H42 Co2 O6 P4 -","- C55 H42 Co2 O6 P4 -","- C110 H84 Co4 O12 P8 -","2","1","","Hong, Fung-E; Chang,; Chang, Ruei-E; Chen, Shu-Chun; Ko, Bao-Tsan","Bis(diphenylphosphino)acetylene as Bifunctional Ligand in Dicobalt Carbonyl Complexes","Organometallics","2002","21","5","961","","10.1021/om0106783","","","0.71073","MoKα","","0.0562","0.042","","","0.1151","0.1273","","","","","","0.898","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076635","12.802","0.002","14.786","0.003","15.657","0.003","106.216","0.004","94.134","0.005","99.192","0.004","2787.9","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H42 Co2 O5 P4 Se -","- C62 H42 Co2 O5 P4 Se -","- C124 H84 Co4 O10 P8 Se2 -","2","1","","Hong, Fung-E; Chang,; Chang, Ruei-E; Chen, Shu-Chun; Ko, Bao-Tsan","Bis(diphenylphosphino)acetylene as Bifunctional Ligand in Dicobalt Carbonyl Complexes","Organometallics","2002","21","5","961","","10.1021/om0106783","","","0.71073","MoKα","","0.3177","0.0892","","","0.1875","0.2794","","","","","","0.874","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076636","11.7356","0.0007","23.6043","0.0014","21.9072","0.0012","90","","90.915","0.001","90","","6067.8","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H54 Cl2 Co2 Mo O9 P4 -","- C64 H54 Cl2 Co2 Mo O9 P4 -","- C256 H216 Cl8 Co8 Mo4 O36 P16 -","4","1","","Hong, Fung-E; Chang,; Chang, Ruei-E; Chen, Shu-Chun; Ko, Bao-Tsan","Bis(diphenylphosphino)acetylene as Bifunctional Ligand in Dicobalt Carbonyl Complexes","Organometallics","2002","21","5","961","","10.1021/om0106783","","","0.71073","MoKα","","0.0499","0.0353","","","0.1087","0.1232","","","","","","0.885","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076637","8.5673","0.0005","11.4116","0.0012","22.8696","0.0019","90","","90","","90","","2235.9","0.3","290","2","290","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 B N6 O Re S2 -","- C17 H26 B N6 O Re S2 -","- C68 H104 B4 N24 O4 Re4 S8 -","4","1","","Gable, Kevin P.; Chuawong, Pitak; Yokochi, Alexandre F. T.","Thermal Stability of Tris(3,5-dimethylpyrazolyl)hydridoboratorhenium(V)(oxo)- (1,2-dithiolate) and -(1,2-monothiodiolate) Complexes and DFT Studies of C−S Bond Cleavage","Organometallics","2002","21","5","929","","10.1021/om0107385","","","1.54178","CuKα","","0.03","0.0284","","","0.0721","0.0744","","","","","","1.069","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076638","12.7045","0.0019","14.274","0.002","16.288","0.002","70.154","0.003","71.34","0.003","64.262","0.002","2450.2","0.6","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.5 H87 B K2 O P2 Ru -","- C44.5 H87 B K2 O P2 Ru -","- C89 H174 B2 K4 O2 P4 Ru2 -","2","1","","Drouin, Samantha D.; Amoroso, Dino; Yap, Glenn P. A.; Fogg, Deryn E.","Multifunctional Ruthenium Catalysts: A Novel Borohydride-Stabilized Polyhydride Complex Containing the Basic, Chelating Diphosphine 1,4-Bis(dicyclohexylphosphino)butane and Its Application to Hydrogenation and Murai Catalysis","Organometallics","2002","21","6","1042","","10.1021/om010745t","","","0.71073","MoKα","","0.0923","0.0505","","","0.1055","0.1184","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4076639","11.414","0.0011","12.4646","0.0012","14.7309","0.0014","105.77","0.002","95.353","0.002","105.01","0.002","1917.6","0.3","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H62 O2 P2 Ru -","- C42 H62 O2 P2 Ru -","- C84 H124 O4 P4 Ru2 -","2","1","","Drouin, Samantha D.; Amoroso, Dino; Yap, Glenn P. A.; Fogg, Deryn E.","Multifunctional Ruthenium Catalysts: A Novel Borohydride-Stabilized Polyhydride Complex Containing the Basic, Chelating Diphosphine 1,4-Bis(dicyclohexylphosphino)butane and Its Application to Hydrogenation and Murai Catalysis","Organometallics","2002","21","6","1042","","10.1021/om010745t","","","0.71073","MoKα","","0.0815","0.0439","","","0.0714","0.0774","","","","","","1.015","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076640","8.617","0.003","9.591","0.003","15.899","0.007","84.36","0.05","86.95","0.03","89.22","0.02","1305.7","0.8","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H31 Fe O2 P -","- C30 H31 Fe O2 P -","- C60 H62 Fe2 O4 P2 -","2","2","","Jenny, Titus A.; Huber, Vroni; Ma, Liqian; Raemy, Jacques; Zeller, David; Stoeckli-Evans, Helen","Synthesis, X-ray Structure, and Reactivity of Phosphine-Substituted Iron Carbonyl Complexes Containingσ-Alkyl−π-Allyl Ligands","Organometallics","2002","21","12","2504","","10.1021/om010781s","","","0.71073","MoKα","","0.0646","0.0486","","","0.1258","0.1417","","","","","","1.1","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076641","10.485","0.002","13.337","0.002","16.743","0.003","94.56","0.01","99.64","0.01","91.48","0.01","2299.1","0.7","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 Fe O2 P -","- C28 H27 Fe O2 P -","- C112 H108 Fe4 O8 P4 -","4","2","","Jenny, Titus A.; Huber, Vroni; Ma, Liqian; Raemy, Jacques; Zeller, David; Stoeckli-Evans, Helen","Synthesis, X-ray Structure, and Reactivity of Phosphine-Substituted Iron Carbonyl Complexes Containingσ-Alkyl−π-Allyl Ligands","Organometallics","2002","21","12","2504","","10.1021/om010781s","","","0.71073","MoKα","","0.0572","0.0428","","0.1089","0.0974","","","","1.067","1.062","1.062","","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076642","8.837","0.001","14.415","0.001","17.072","0.001","90","","90","","90","","2174.7","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H34 Fe O7 P2 -","- C17 H34 Fe O7 P2 -","- C68 H136 Fe4 O28 P8 -","4","1","","Jenny, Titus A.; Huber, Vroni; Ma, Liqian; Raemy, Jacques; Zeller, David; Stoeckli-Evans, Helen","Synthesis, X-ray Structure, and Reactivity of Phosphine-Substituted Iron Carbonyl Complexes Containingσ-Alkyl−π-Allyl Ligands","Organometallics","2002","21","12","2504","","10.1021/om010781s","","","0.71073","MoKα","","0.0338","0.0318","","0.0852","0.0828","","","","1.083","1.076","1.076","","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076643","19.951","0.004","13.918","0.002","24.257","0.005","90","","98.71","0.01","90","","6658","2","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65.5 H94 Cl4 N4 O Yb2 -","- C65.5 H93.5 Cl4 N4 O Yb2 -","- C262 H374 Cl16 N16 O4 Yb8 -","4","1","","Yao, Yingming; Zhang, Yong; Shen, Qi; Yu, Kaibei","Synthesis, Reactivity, and Structure of Mixed-Ligand Ytterbium Complexes Supported by β-Diketiminate","Organometallics","2002","21","5","819","","10.1021/om010803a","","","0.71073","MoKα","","0.0915","0.0405","","","0.0561","0.0639","","","","","","0.79","","","","has coordinates","198633","2020-10-21","18:00:00","" "4076644","10.422","0.002","26.247","0.005","12.653","0.002","90","","106.05","0.01","90","","3326.3","1.1","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H48 Cl N2 Yb -","- C35 H48 Cl N2 Yb -","- C140 H192 Cl4 N8 Yb4 -","4","1","","Yao, Yingming; Zhang, Yong; Shen, Qi; Yu, Kaibei","Synthesis, Reactivity, and Structure of Mixed-Ligand Ytterbium Complexes Supported by β-Diketiminate","Organometallics","2002","21","5","819","","10.1021/om010803a","","","0.71073","MoKα","","0.0592","0.0316","","","0.0571","0.0611","","","","","","0.841","","","","has coordinates","198633","2020-10-21","18:00:00","" "4076645","12.42","0.002","16.469","0.003","40.264","0.007","90","","93.53","0.01","90","","8220","2","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H58 N3 Yb -","- C47 H58 N3 Yb -","- C376 H464 N24 Yb8 -","8","2","","Yao, Yingming; Zhang, Yong; Shen, Qi; Yu, Kaibei","Synthesis, Reactivity, and Structure of Mixed-Ligand Ytterbium Complexes Supported by β-Diketiminate","Organometallics","2002","21","5","819","","10.1021/om010803a","","","0.71073","MoKα","","0.1147","0.0478","","","0.0703","0.0815","","","","","","0.816","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00","" "4076646","13.629","0.002","20.363","0.002","14.169","0.002","90","","93.369","0.002","90","","3925.5","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16.5 H23 Cl N2 O4 Pd -","- C16.5 H23 Cl N2 O4 Pd -","- C132 H184 Cl8 N16 O32 Pd8 -","8","2","","van Laren, Martijn W.; Duin, Marcel A.; Klerk, Chantal; Naglia, Michele; Rogolino, Dominga; Pelagatti, Paolo; Bacchi, Alessia; Pelizzi, Corrado; Elsevier, Cornelis J.","Palladium(0) Complexes with Unsymmetric Bidentate Nitrogen Ligands for the Stereoselective Hydrogenation of 1-Phenyl-1-propyne to (Z)-1-Phenyl-1-propene","Organometallics","2002","21","8","1546","","10.1021/om0108346","","","0.71069","MoKα","","0.0494","0.0318","","","0.0835","0.0908","","","","","","0.973","","","","has coordinates","301830","2025-08-20","13:17:24","" "4076647","19.091","0.001","5.7689","0.0003","19.414","0.001","90","","92.543","0.002","90","","2136.04","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 O5 Rh -","- C10 H9 O5 Rh -","- C80 H72 O40 Rh8 -","8","1","","Busetto, Luigi; Cassani, M. Cristina; Albano, Vincenzo G.; Sabatino, Piera","Coordination Chemistry of Ester-Functionalized Cp Ligands. The Atom-Economy Synthesis of Na[C5H4CO2(CH2)2OH] and Solid State Structures of [Rh{C5H4CO2(CH2)2OH}(CO)2] and [Rh2{μ-(C5H4CO2CH2)2}(NBD)2]","Organometallics","2002","21","9","1849","","10.1021/om0108393","","","0.71069","MoKα","","0.0316","0.0289","","","0.069","0.0705","","","","","","1.069","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076648","20.133","0.005","20.139","0.005","6.002","0.005","90","0.005","90","0.005","90","0.005","2434","2","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C28 H28 O4 Rh2 -","- C28 H28 O4 Rh2 -","- C112 H112 O16 Rh8 -","4","0.5","","Busetto, Luigi; Cassani, M. Cristina; Albano, Vincenzo G.; Sabatino, Piera","Coordination Chemistry of Ester-Functionalized Cp Ligands. The Atom-Economy Synthesis of Na[C5H4CO2(CH2)2OH] and Solid State Structures of [Rh{C5H4CO2(CH2)2OH}(CO)2] and [Rh2{μ-(C5H4CO2CH2)2}(NBD)2]","Organometallics","2002","21","9","1849","","10.1021/om0108393","","","0.71069","MoKα","","0.0543","0.0478","","","0.1288","0.1324","","","","","","1.078","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076649","10.5465","0.0001","11.4442","0.0002","13.8021","0.0002","87.52","0.001","72.744","0.001","65.33","","1439.43","0.04","218","2","218","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H34 Cr N4 -","- C34 H34 Cr N4 -","- C68 H68 Cr2 N8 -","2","1","","MacAdams, Leonard A.; Kim, Woo-Kyu; Liable-Sands, Louise M.; Guzei, Ilia A.; Rheingold, Arnold L.; Theopold, Klaus H.","The (Ph)2nacnac Ligand in Organochromium Chemistry","Organometallics","2002","21","5","952","","10.1021/om010857k","","","0.71073","MoKα","","0.1177","0.0887","","0.2449","0.2176","","","","1.1","1.296","1.296","","","","","has coordinates","301830","2025-08-20","13:17:24","" "4076650","12.1282","0.0003","14.2684","0.0003","12.8048","0.0003","90","","90.3352","0.0004","90","","2215.83","0.09","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 Cl2 Cr2 N4 O2 -","- C44 H56 Cl2 Cr2 N4 O2 -","- C88 H112 Cl4 Cr4 N8 O4 -","2","0.5","","MacAdams, Leonard A.; Kim, Woo-Kyu; Liable-Sands, Louise M.; Guzei, Ilia A.; Rheingold, Arnold L.; Theopold, Klaus H.","The (Ph)2nacnac Ligand in Organochromium Chemistry","Organometallics","2002","21","5","952","","10.1021/om010857k","","","0.71073","MoKα","","0.0568","0.0449","","0.1415","0.1326","","","","1.036","1.085","1.085","","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076651","9.6543","0.0002","17.6528","0.0002","20.0308","0.0003","90","","101.765","0.0009","90","","3342.04","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 Cr N4 -","- C40 H39 Cr N4 -","- C160 H156 Cr4 N16 -","4","1","","MacAdams, Leonard A.; Kim, Woo-Kyu; Liable-Sands, Louise M.; Guzei, Ilia A.; Rheingold, Arnold L.; Theopold, Klaus H.","The (Ph)2nacnac Ligand in Organochromium Chemistry","Organometallics","2002","21","5","952","","10.1021/om010857k","","","0.71073","MoKα","","0.065","0.0542","","0.1513","0.144","","","","1.088","1.133","1.133","","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076652","9.2361","0.00002","17.7197","0.0002","19.1786","0.0003","73.9512","0.0006","83.5156","0.0002","82.8597","0.0006","2982.89","0.06","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H34 Cl Cr N4 -","- C34 H34 Cl Cr N4 -","- C136 H136 Cl4 Cr4 N16 -","4","2","","MacAdams, Leonard A.; Kim, Woo-Kyu; Liable-Sands, Louise M.; Guzei, Ilia A.; Rheingold, Arnold L.; Theopold, Klaus H.","The (Ph)2nacnac Ligand in Organochromium Chemistry","Organometallics","2002","21","5","952","","10.1021/om010857k","","","0.71073","MoKα","","0.1185","0.0713","","0.2201","0.1749","","","","1.004","1.138","1.138","","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076653","10.0898","0.0003","9.2347","0.0003","30.2026","0.0005","90","","97.814","0.002","90","","2788.04","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Cr N4 -","- C34 H33 Cr N4 -","- C136 H132 Cr4 N16 -","4","1","","MacAdams, Leonard A.; Kim, Woo-Kyu; Liable-Sands, Louise M.; Guzei, Ilia A.; Rheingold, Arnold L.; Theopold, Klaus H.","The (Ph)2nacnac Ligand in Organochromium Chemistry","Organometallics","2002","21","5","952","","10.1021/om010857k","","","0.71073","MoKα","","0.1297","0.0955","","","0.2578","0.2875","","","","","","1.77","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076654","10.507","0.002","13.627","0.003","15.891","0.003","100.512","0.003","106.577","0.003","111.33","0.003","1924.1","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H88 F6 Li2 O14 P4 Pt2 S2 -","- C72 H88 F4 Li2 O16 P4 Pt2 S2 -","- C72 H88 F4 Li2 O16 P4 Pt2 S2 -","1","0.5","","Flint, Bruce; Li, Jian-Jun; Sharp, Paul R.","Water-Promoted Reaction of a Platinum(II) Oxo Complex with Ethylene†","Organometallics","2002","21","5","997","","10.1021/om010868d","","","0.71073","MoKα","","0.0498","0.0417","","","0.1061","0.111","","","","","","1.033","","","","has coordinates,has disorder","178655","2020-10-21","18:00:00","" "4076655","17.687","0.0001","17.9715","0.0003","13.0832","0.0003","96.711","0.001","106.965","0.001","114.131","0.002","3494.72","0.13","96.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C164 H146 Cl4 O11 P4 Pd2 -","- C160 Cl4 O8 P4 Pd2 -","- C160 Cl4 O8 P4 Pd2 -","1","0.5","","Takenaka, Kazuhiro; Obora, Yasushi; Jiang, Li Hong; Tsuji, Yasushi","Platinum(II) and Palladium(II) Complexes of Bis(diphenylphosphino)calix[4]arene Tetrabenzyl Ether: Fluxional Behavior Caused by Two Motions","Organometallics","2002","21","6","1158","","10.1021/om010882q","","","0.7107","MoKα","","","0.097","","","","0.133","","","","","","1.759","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076656","11.6883","0.0009","16.093","0.002","11.431","0.001","90.831","0.004","117.98","0.005","103.07","0.003","1831.4","0.3","126.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H35 Br2 Cl3 O4 -","- C43 H35 Br2 Cl3 O4 -","- C86 H70 Br4 Cl6 O8 -","2","1","","Takenaka, Kazuhiro; Obora, Yasushi; Jiang, Li Hong; Tsuji, Yasushi","Platinum(II) and Palladium(II) Complexes of Bis(diphenylphosphino)calix[4]arene Tetrabenzyl Ether: Fluxional Behavior Caused by Two Motions","Organometallics","2002","21","6","1158","","10.1021/om010882q","","","0.7107","MoKα","","","0.04","","","","0.052","","","","","","1.211","","","","has coordinates","301830","2025-08-20","13:17:24","" "4076657","18.268","0.001","22.922","0.001","11.3725","0.0007","104.169","0.002","105.868","0.001","87.551","0.002","4439.8","0.4","126.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H46 Br2 O4 -","- C56 H46 Br2 O4 -","- C224 H184 Br8 O16 -","4","2","","Takenaka, Kazuhiro; Obora, Yasushi; Jiang, Li Hong; Tsuji, Yasushi","Platinum(II) and Palladium(II) Complexes of Bis(diphenylphosphino)calix[4]arene Tetrabenzyl Ether: Fluxional Behavior Caused by Two Motions","Organometallics","2002","21","6","1158","","10.1021/om010882q","","","0.7107","MoKα","","","0.08","","","","0.126","","","","","","1.141","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076658","15.4988","0.0007","15.0315","0.0005","15.852","0.0007","90","","102.868","0.002","90","","3600.3","0.3","126.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C85 H78 Cl2 O4 P2 Pt -","- C80 Cl2 O4 P2 Pt -","- C160 Cl4 O8 P4 Pt2 -","2","1","","Takenaka, Kazuhiro; Obora, Yasushi; Jiang, Li Hong; Tsuji, Yasushi","Platinum(II) and Palladium(II) Complexes of Bis(diphenylphosphino)calix[4]arene Tetrabenzyl Ether: Fluxional Behavior Caused by Two Motions","Organometallics","2002","21","6","1158","","10.1021/om010882q","","","0.7107","MoKα","","","0.104","","","","0.143","","","","","","2.73","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076659","11.2383","0.0014","20.86","0.008","14.733","0.003","90","","90","","90","","3453.9","1.6","183","2","183","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[HB(3,5-(CF3)2Pz)3]CuC2H4.2(C6H6)","","","- C29 H20 B Cu F18 N6 -","- C29 H20 B Cu F18 N6 -","- C116 H80 B4 Cu4 F72 N24 -","4","0.5","","Dias, H. V. Rasika; Lu, Hui-Ling; Kim, Hyoung-Juhn; Polach, Sharon A.; Goh, Timothy K. H. H.; Browning, R. Greg; Lovely, Carl J.","Copper(I) Ethylene Adducts and Aziridination Catalysts Based on Fluorinated Tris(pyrazolyl)borates [HB(3-(CF3),5-(R)Pz)3]-(where R = CF3, C6H5, H; Pz = pyrazolyl)","Organometallics","2002","21","7","1466","","10.1021/om010886v","","","0.71073","MoKα","","0.0679","0.0443","","","0.1035","0.1152","","","","","","1.035","","","","has coordinates,has disorder","178655","2020-10-21","18:00:00","" "4076660","9.4219","0.0012","23.572","0.002","14.0405","0.0011","90","","91.893","0.011","90","","3116.6","0.5","208","2","208","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[HB(3-(CF3),5-(Ph)Pz)3]CuC2H4","","","- C32 H23 B Cu F9 N6 -","- C32 H23 B Cu F9 N6 -","- C128 H92 B4 Cu4 F36 N24 -","4","1","","Dias, H. V. Rasika; Lu, Hui-Ling; Kim, Hyoung-Juhn; Polach, Sharon A.; Goh, Timothy K. H. H.; Browning, R. Greg; Lovely, Carl J.","Copper(I) Ethylene Adducts and Aziridination Catalysts Based on Fluorinated Tris(pyrazolyl)borates [HB(3-(CF3),5-(R)Pz)3]-(where R = CF3, C6H5, H; Pz = pyrazolyl)","Organometallics","2002","21","7","1466","","10.1021/om010886v","","","0.71073","MoKα","","0.0674","0.045","","","0.1016","0.1127","","","","","","1.024","","","","has coordinates,has disorder","178655","2020-10-21","18:00:00","" "4076661","22.378","0.003","9.756","0.002","19.748","0.003","90","","118.106","0.009","90","","3803","1.1","188","2","188","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[HB(3-(CF3)Pz)3]CuC2H4","","","- C14 H11 B Cu F9 N6 -","- C14 H11 B Cu F9 N6 -","- C112 H88 B8 Cu8 F72 N48 -","8","1","","Dias, H. V. Rasika; Lu, Hui-Ling; Kim, Hyoung-Juhn; Polach, Sharon A.; Goh, Timothy K. H. H.; Browning, R. Greg; Lovely, Carl J.","Copper(I) Ethylene Adducts and Aziridination Catalysts Based on Fluorinated Tris(pyrazolyl)borates [HB(3-(CF3),5-(R)Pz)3]-(where R = CF3, C6H5, H; Pz = pyrazolyl)","Organometallics","2002","21","7","1466","","10.1021/om010886v","","","0.71073","MoKα","","0.0571","0.0463","","","0.1062","0.1128","","","","","","1.047","","","","has coordinates,has disorder","178655","2020-10-21","18:00:00","" "4076662","10.5133","0.001","11.344","0.001","15.0795","0.0014","94.795","0.002","99.201","0.002","114.106","0.001","1598.2","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H54 B F4 N O2 Os P2 -","- C26 H54 B F4 N O2 Os P2 -","- C52 H108 B2 F8 N2 O4 Os2 P4 -","2","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique; Tajada, María A.","Dihydride versus Elongated Dihydrogen in [H2Os(κ2-O2CCH3)L(PiPr3)2]+Complexes: Influence of the L Ligand","Organometallics","2002","21","6","1311","","10.1021/om010891z","","","0.71073","MoKα","","0.0479","0.0359","","","0.0644","0.0668","","","","","","0.879","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076663","11.3503","0.0013","21.666","0.003","13.7786","0.0016","90","","102.541","0.002","90","","3307.5","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H56 B F4 O5 Os P3 -","- C23 H56 B F4 O5 Os P3 -","- C92 H224 B4 F16 O20 Os4 P12 -","4","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique; Tajada, María A.","Dihydride versus Elongated Dihydrogen in [H2Os(κ2-O2CCH3)L(PiPr3)2]+Complexes: Influence of the L Ligand","Organometallics","2002","21","6","1311","","10.1021/om010891z","","","0.71073","MoKα","","0.0885","0.0445","","","0.0785","0.086","","","","","","0.835","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076664","9.5093","0.0016","13.5601","0.0015","22.947","0.004","90","","95.78","0.02","90","","2943.9","0.8","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H36 B N V -","- C37 H36 B N V -","- C148 H144 B4 N4 V4 -","4","1","","Choukroun, Robert; Lorber, Christian; Donnadieu, Bruno","Cationic Vanadium(IV) Methyl Complexes [Cp2VMe(CH3CN)][B(C6H5)4] and [Cp2VMe(THF)][MeB(C6F5)3]","Organometallics","2002","21","6","1124","","10.1021/om010894b","","","0.71073","MoKα","","0.0895","0.0646","","","0.1522","0.1676","","","","","","1.115","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076665","11.233","0.002","11.79","0.002","20.887","0.004","90","","98.65","0.03","90","","2734.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H45 N Si Ti -","- C27 H45 N Si Ti -","- C108 H180 N4 Si4 Ti4 -","4","1","","Spannenberg, Anke; Baumann, Wolfgang; Becke, Sigurd; Rosenthal, Uwe","Five-Membered Titanacyclocumulenes that Contain Linked Amido−Cyclopentadienyl Ligands","Organometallics","2002","21","7","1512","","10.1021/om0108954","","","0.71073","MoKα","","0.0976","0.0705","","0.2235","0.1884","","","","1.043","1.188","1.188","","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076666","10.382","0.002","11.219","0.002","12.817","0.003","85","0.03","79.14","0.03","83.65","0.03","1453.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H90 N2 O4 Si2 Ti2 -","- C56 H90 N2 O4 Si2 Ti2 -","- C56 H90 N2 O4 Si2 Ti2 -","1","0.5","","Spannenberg, Anke; Baumann, Wolfgang; Becke, Sigurd; Rosenthal, Uwe","Five-Membered Titanacyclocumulenes that Contain Linked Amido−Cyclopentadienyl Ligands","Organometallics","2002","21","7","1512","","10.1021/om0108954","","","0.71073","MoKα","","0.1288","0.0481","","0.1505","0.0738","","","","0.734","0.981","0.981","","","","","has coordinates,has disorder","178655","2020-10-21","18:00:00","" "4076667","10.382","0.002","11.598","0.002","26.65","0.005","90","","96.56","0.03","90","","3187.9","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H90 N2 O4 Si6 Ti2 -","- C52 H90 N2 O4 Si6 Ti2 -","- C104 H180 N4 O8 Si12 Ti4 -","2","0.5","","Spannenberg, Anke; Baumann, Wolfgang; Becke, Sigurd; Rosenthal, Uwe","Five-Membered Titanacyclocumulenes that Contain Linked Amido−Cyclopentadienyl Ligands","Organometallics","2002","21","7","1512","","10.1021/om0108954","","","0.71073","MoKα","","0.0836","0.0504","","0.1214","0.1068","","","","0.924","1.038","1.038","","","","","has coordinates,has disorder","178655","2020-10-21","18:00:00","" "4076668","11.115","0.0012","11.032","0.0013","15.661","0.0011","74.98","0.006","70.856","0.006","63.375","0.005","1607.4","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","1,2-Diphenyl-3,4-bis(trimethylsilylcyclobutadiene bis[1,2-dimethoxyethane(lithium)]","","- C30 H48 Li2 O4 Si2 -","- C30 H48 Li2 O4 Si2 -","- C60 H96 Li4 O8 Si4 -","2","1","","Sekiguchi, Akira; Matsuo, Tsukasa; Tanaka, Masanobu","Aromaticity of the Cyclobutadiene Dianion: Structural Characteristics and Magnetic Properties","Organometallics","2002","21","6","1072","","10.1021/om010902o","","","0.7107","MoKα","","0.1214","0.0671","","","0.1503","0.1824","","","","","","1.047","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076669","10.686","0.0006","10.943","0.0008","15.885","0.0011","77.443","0.003","72.937","0.004","70.247","0.004","1656.8","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","1,3-Diphenyl-2,4-bis(trimethylsilylcyclobutadiene bis[1,2-dimethoxyethane(lithium)]","","- C30 H48 Li2 O4 Si2 -","- C30 H48 Li2 O4 Si2 -","- C60 H96 Li4 O8 Si4 -","2","1","","Sekiguchi, Akira; Matsuo, Tsukasa; Tanaka, Masanobu","Aromaticity of the Cyclobutadiene Dianion: Structural Characteristics and Magnetic Properties","Organometallics","2002","21","6","1072","","10.1021/om010902o","","","0.7107","MoKα","","0.0837","0.0659","","","0.1679","0.1827","","","","","","1.028","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076670","9.2354","0.0001","10.0936","0.0002","22.8557","0.0004","101.084","0.001","97.728","0.001","97.503","0.001","2044.86","0.06","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H28 Cl O7 Os3 Sb -","- C41.5 H28 Cl O7 Os3 Sb -","- C83 H56 Cl2 O14 Os6 Sb2 -","2","1","","Deng, Mingli; Leong, Weng Kee","Reactions of the Triosmium−Antimony Cluster Os3(μ-SbPh2)(μ-H)(μ3,η2-C6H4)(CO)9with Alkynes: C−C Bond Coupling to a Cluster-Bound Phenylene and Catalytic Alkyne Cyclotrimerization","Organometallics","2002","21","6","1221","","10.1021/om010911x","","","0.71073","MoKα","","0.0556","0.0369","","","0.0735","0.0808","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4076671","20.183","0.0004","13.1745","0.0003","11.1624","0.0002","90","","90","","90","","2968.09","0.1","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H19 O9 Os3 Sb -","- C27 H19 O9 Os3 Sb -","- C108 H76 O36 Os12 Sb4 -","4","0.5","","Deng, Mingli; Leong, Weng Kee","Reactions of the Triosmium−Antimony Cluster Os3(μ-SbPh2)(μ-H)(μ3,η2-C6H4)(CO)9with Alkynes: C−C Bond Coupling to a Cluster-Bound Phenylene and Catalytic Alkyne Cyclotrimerization","Organometallics","2002","21","6","1221","","10.1021/om010911x","","","0.71073","MoKα","","0.0437","0.0334","","","0.071","0.0735","","","","","","1.001","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076672","33.7108","0.0012","13.9251","0.0005","21.0185","0.0007","90","","95.791","0.001","90","","9816.3","0.6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 O14 Os5 Sb2 -","- C44 H30 O14 Os5 Sb2 -","- C352 H240 O112 Os40 Sb16 -","8","1","","Deng, Mingli; Leong, Weng Kee","Reactions of the Triosmium−Antimony Cluster Os3(μ-SbPh2)(μ-H)(μ3,η2-C6H4)(CO)9with Alkynes: C−C Bond Coupling to a Cluster-Bound Phenylene and Catalytic Alkyne Cyclotrimerization","Organometallics","2002","21","6","1221","","10.1021/om010911x","","","0.71073","MoKα","","0.0658","0.0367","","","0.0634","0.0685","","","","","","0.79","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076673","9.3913","0.0001","13.521","0.0001","16.7683","0.0002","82.149","0.001","85.3","","72.68","","2011.72","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C40.5 H28.5 O7 Os3 Sb -","- C40.5 H28.5 O7 Os3 Sb -","- C81 H57 O14 Os6 Sb2 -","2","1","","Deng, Mingli; Leong, Weng Kee","Reactions of the Triosmium−Antimony Cluster Os3(μ-SbPh2)(μ-H)(μ3,η2-C6H4)(CO)9with Alkynes: C−C Bond Coupling to a Cluster-Bound Phenylene and Catalytic Alkyne Cyclotrimerization","Organometallics","2002","21","6","1221","","10.1021/om010911x","","","0.71073","MoKα","","0.0524","0.0376","","","0.0893","0.0967","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076674","10.0955","0.0007","26.7","0.002","10.7924","0.0008","90","","103.413","0.009","90","","2829.7","0.4","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","{(η5-Cp)(NO)(μ-CO)[μ-⋮C-C(CH3)3]W-AuPPh3}","{(η5-Cp)(NO)(μ-CO)[μ-⋮C-C(CH3)3]W-AuPPh3}","","- C30 H29 Au N O2 P W -","- C30 H29 Au N O2 P W -","- C120 H116 Au4 N4 O8 P4 W4 -","4","1","","Ipaktschi, Junes; Munz, Frank","η2-Alkynyl and Vinylidene Transition Metal Complexes. 8.1Synthesis of Bimetallic Tungsten Gold Complexes by Addition of ClAuPPh3to the Acetylide Li[(η5-C5H5)(CO)(NO)W(C⋮C−R)]","Organometallics","2002","21","5","977","","10.1021/om010923i","","","0.71073","MoKα","","0.0379","0.0295","","","0.0754","0.079","","","","","","0.927","","","","has coordinates","194600","2020-10-21","18:00:00","" "4076675","28.4815","0.0016","11.7883","0.0007","15.045","0.0009","90","","100.97","0.001","90","","4959","0.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(P-N)Pt(PhCCPh)","","","- C24.5 H35 Cl N P Pt -","- C24.5 H35 Cl N P Pt -","- C196 H280 Cl8 N8 P8 Pt8 -","8","2","","Müller, Christian; Lachicotte, Rene J.; Jones, William D.","Chelating P,N versus P,P Ligands: Differing Reactivity of Donor-Stabilized Pt(η2-PhC⋮CPh) Complexes Toward Diphenylacetylene","Organometallics","2002","21","6","1118","","10.1021/om010924a","","","0.71073","MoKα","","0.1135","0.0663","","","0.1226","0.1383","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076676","12.2481","0.0007","13.575","0.0007","16.9734","0.0009","90","","96.311","0.001","90","","2805","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(dippe)Pt(PhCCPh)","","","- C28 H42 P2 Pt -","- C28 H42 P2 Pt -","- C112 H168 P8 Pt4 -","4","1","","Müller, Christian; Lachicotte, Rene J.; Jones, William D.","Chelating P,N versus P,P Ligands: Differing Reactivity of Donor-Stabilized Pt(η2-PhC⋮CPh) Complexes Toward Diphenylacetylene","Organometallics","2002","21","6","1118","","10.1021/om010924a","","","0.71073","MoKα","","0.0469","0.0288","","","0.0522","0.0558","","","","","","0.938","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076677","11.7422","0.0011","11.8833","0.0011","26.064","0.002","90","","90","","90","","3636.9","0.6","193","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(P-N)Pt(C4Ph4)","","","- C39 H46 Cl2 N P Pt -","- C39 H46 Cl2 N P Pt -","- C156 H184 Cl8 N4 P4 Pt4 -","4","1","","Müller, Christian; Lachicotte, Rene J.; Jones, William D.","Chelating P,N versus P,P Ligands: Differing Reactivity of Donor-Stabilized Pt(η2-PhC⋮CPh) Complexes Toward Diphenylacetylene","Organometallics","2002","21","6","1118","","10.1021/om010924a","","","0.71073","MoKα","","0.1081","0.0827","","","0.1478","0.1565","","","","","","1.066","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076678","10.7273","0.0006","12.2851","0.0007","18.8806","0.001","100.916","0.001","104.853","0.001","99.34","0.001","2302.5","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","(P-N)Pt(C4Ph4)-Pt(PhCCPh)","","","- C55 H57 N P Pt2 -","- C55 H57 N P Pt2 -","- C110 H114 N2 P2 Pt4 -","2","1","","Müller, Christian; Lachicotte, Rene J.; Jones, William D.","Chelating P,N versus P,P Ligands: Differing Reactivity of Donor-Stabilized Pt(η2-PhC⋮CPh) Complexes Toward Diphenylacetylene","Organometallics","2002","21","6","1118","","10.1021/om010924a","","","0.71073","MoKα","","0.0668","0.0419","","","0.0739","0.0797","","","","","","0.985","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076679","26.859","0.003","26.859","0.003","24.152","0.003","90","","90","","90","","17423","4","236","2","236","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C168 H128 N16 Yb8 -","- C168 H128 N16 Yb8 -","- C672 H512 N64 Yb32 -","4","0.5","","Freckmann, Dominique M. M.; Dubé, Tiffany; Bérubé, Christian D.; Gambarotta, Sandro; Yap, Glenn P. A.","Cyclic Di- and Mixed-Valent Ytterbium Complexes Supported by Dipyrrolide Ligands","Organometallics","2002","21","6","1240","1246","10.1021/om010928f","","","0.71073","MoKα","","0.0738","0.0483","","","0.1475","0.1649","","","","","","1.029","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076680","26.131","0.007","17.197","0.005","25.325","0.007","90","","109.186","0.005","90","","10748","5","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C116 H128 K2 N9 O8 Yb4 -","- C116 H128 K2 N9 O8 Yb4 -","- C464 H512 K8 N36 O32 Yb16 -","4","0.5","","Freckmann, Dominique M. M.; Dubé, Tiffany; Bérubé, Christian D.; Gambarotta, Sandro; Yap, Glenn P. A.","Cyclic Di- and Mixed-Valent Ytterbium Complexes Supported by Dipyrrolide Ligands","Organometallics","2002","21","6","1240","1246","10.1021/om010928f","","","0.71073","MoKα","","0.0858","0.0328","","","0.0494","0.056","","","","","","1.019","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076681","13.934","0.002","24.974","0.003","19.565","0.002","90","","107.783","0.002","90","","6483.1","1.4","236","2","236","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H72 K3 N6 O3 Yb -","- C75 H72 K3 N6 O3 Yb -","- C300 H288 K12 N24 O12 Yb4 -","4","1","","Freckmann, Dominique M. M.; Dubé, Tiffany; Bérubé, Christian D.; Gambarotta, Sandro; Yap, Glenn P. A.","Cyclic Di- and Mixed-Valent Ytterbium Complexes Supported by Dipyrrolide Ligands","Organometallics","2002","21","6","1240","1246","10.1021/om010928f","","","0.71073","MoKα","","0.0839","0.0393","","","0.0661","0.0725","","","","","","1.015","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076682","17.254","0.004","19.145","0.004","19.659","0.004","61.167","0.005","84.757","0.004","74.114","0.004","5465","2","233","2","233","2","","","","","","","","7","P -1","-P 1","2","","","","- C240 H272 Cl2 Li2 N16 O18 Yb8 -","- C240 H272 Cl2 Li2 N16 O18 Yb8 -","- C240 H272 Cl2 Li2 N16 O18 Yb8 -","1","0.5","","Freckmann, Dominique M. M.; Dubé, Tiffany; Bérubé, Christian D.; Gambarotta, Sandro; Yap, Glenn P. A.","Cyclic Di- and Mixed-Valent Ytterbium Complexes Supported by Dipyrrolide Ligands","Organometallics","2002","21","6","1240","1246","10.1021/om010928f","","","0.71073","MoKα","","0.1158","0.058","","","0.1211","0.138","","","","","","1.041","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076683","14.183","0.001","14.065","0.001","14.911","0.001","90","","103.209","0.001","90","","2895.8","0.3","236","2","236","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H80 N8 O3 Yb4 -","- C64 H80 N8 O3 Yb4 -","- C128 H160 N16 O6 Yb8 -","2","1","","Freckmann, Dominique M. M.; Dubé, Tiffany; Bérubé, Christian D.; Gambarotta, Sandro; Yap, Glenn P. A.","Cyclic Di- and Mixed-Valent Ytterbium Complexes Supported by Dipyrrolide Ligands","Organometallics","2002","21","6","1240","1246","10.1021/om010928f","","","0.71073","MoKα","","0.0436","0.0319","","","0.0558","0.0572","","","","","","1.01","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076684","9.376","0.001","16.058","0.003","8.061","0.001","93.04","0.02","110.39","0.01","92.1","0.01","1134","0.3","193.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Ge O Te -","- C26 H22 Ge O Te -","- C52 H44 Ge2 O2 Te2 -","2","1","","Tani, Kazuyasu; Yamada, Ryo; Kanda, Takahiro; Suzuki, Masahiro; Kato, Shinzi; Murai, Toshiaki","Synthesis and Structure of Group 14 Element Derivatives of Carbotelluroates","Organometallics","2002","21","7","1487","","10.1021/om010934b","","","0.7107","MoKα","","","0.0244","","","","0.077","","","","","","1","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076685","13.68","0.004","9.625","0.002","18.774","0.002","90","","110.72","0.01","90","","2312.1","0.9","193.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 O Sn Te -","- C26 H22 O Sn Te -","- C104 H88 O4 Sn4 Te4 -","4","1","","Tani, Kazuyasu; Yamada, Ryo; Kanda, Takahiro; Suzuki, Masahiro; Kato, Shinzi; Murai, Toshiaki","Synthesis and Structure of Group 14 Element Derivatives of Carbotelluroates","Organometallics","2002","21","7","1487","","10.1021/om010934b","","","0.7107","MoKα","","","0.0325","","","","0.1792","","","","","","1.881","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076686","13.703","0.002","9.671","0.001","18.865","0.001","90","","110.972","0.007","90","","2334.4","0.4","193.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 O Pb Te -","- C26 H22 O Pb Te -","- C104 H88 O4 Pb4 Te4 -","4","1","","Tani, Kazuyasu; Yamada, Ryo; Kanda, Takahiro; Suzuki, Masahiro; Kato, Shinzi; Murai, Toshiaki","Synthesis and Structure of Group 14 Element Derivatives of Carbotelluroates","Organometallics","2002","21","7","1487","","10.1021/om010934b","","","0.7107","MoKα","","","0.0453","","","","0.1362","","","","","","0.979","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076687","9.3795","0.0009","16.058","0.001","7.9443","0.0007","91.582","0.007","111.759","0.007","93.821","0.007","1107.05","0.17","193.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Ge O Se -","- C26 H22 Ge O Se -","- C52 H44 Ge2 O2 Se2 -","2","1","","Tani, Kazuyasu; Yamada, Ryo; Kanda, Takahiro; Suzuki, Masahiro; Kato, Shinzi; Murai, Toshiaki","Synthesis and Structure of Group 14 Element Derivatives of Carbotelluroates","Organometallics","2002","21","7","1487","","10.1021/om010934b","","","0.7107","MoKα","","","0.0275","","","","0.0848","","","","","","1.005","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076688","9.592","0.001","16.309","0.002","7.8722","0.0006","92.497","0.008","109.783","0.006","91.956","0.01","1156.1","0.2","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 O Se Sn -","- C26 H22 O Se Sn -","- C52 H44 O2 Se2 Sn2 -","2","1","","Tani, Kazuyasu; Yamada, Ryo; Kanda, Takahiro; Suzuki, Masahiro; Kato, Shinzi; Murai, Toshiaki","Synthesis and Structure of Group 14 Element Derivatives of Carbotelluroates","Organometallics","2002","21","7","1487","","10.1021/om010934b","","","0.7107","MoKα","","","0.0477","","","","0.1204","","","","","","1.175","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076689","9.618","0.001","16.052","0.003","7.811","0.001","92.83","0.01","109.32","0.01","91.36","0.01","1135.6","0.3","193.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 O Pb Se -","- C26 H22 O Pb Se -","- C52 H44 O2 Pb2 Se2 -","2","1","","Tani, Kazuyasu; Yamada, Ryo; Kanda, Takahiro; Suzuki, Masahiro; Kato, Shinzi; Murai, Toshiaki","Synthesis and Structure of Group 14 Element Derivatives of Carbotelluroates","Organometallics","2002","21","7","1487","","10.1021/om010934b","","","0.7107","MoKα","","","0.0251","","","","0.0727","","","","","","0.959","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076690","14.919","0.005","12.783","0.002","7.393","0.002","90","","90","","90","","1409.9","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H10 Co F3 O6 -","- C14 H10 Co F2.97 O6 -","- C56 H40 Co4 F11.88 O24 -","4","1","","Braga, Dario; Cojazzi, Gianna; Emiliani, Dario; Maini, Lucia; Grepioni, Fabrizia","Reversible Gas−Solid Reactions between the Organometallic Zwitterion [(η5-C5H4COOH)(η5-C5H4COO)CoIII] and Vapors of Trifluoroacetic and Tetrafluoroboric Acids","Organometallics","2002","21","6","1315","","10.1021/om010936w","","","0.71073","MoKα","","0.0787","0.0395","","","0.1043","0.1252","","","","","","0.951","","","","has coordinates,has disorder","178655","2020-10-21","18:00:00","" "4076691","12.438","0.004","9.484","0.003","11.4","0.003","90","","107.42","0.02","90","","1283.1","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 B Co F4 O4 -","- C12 H10 B Co F4 O4 -","- C48 H40 B4 Co4 F16 O16 -","4","0.5","","Braga, Dario; Cojazzi, Gianna; Emiliani, Dario; Maini, Lucia; Grepioni, Fabrizia","Reversible Gas−Solid Reactions between the Organometallic Zwitterion [(η5-C5H4COOH)(η5-C5H4COO)CoIII] and Vapors of Trifluoroacetic and Tetrafluoroboric Acids","Organometallics","2002","21","6","1315","","10.1021/om010936w","","","0.71073","MoKα","","0.0566","0.0341","","","0.0934","0.1035","","","","","","1.062","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076692","13.38","0.0006","10.1313","0.0005","14.549","0.0007","90","","93.025","0.001","90","","1969.47","0.16","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 Ru -","- C28 H20 N2 Ru -","- C112 H80 N8 Ru4 -","4","1","","Enders, Markus; Kohl, Gerald; Pritzkow, Hans","Novel Heterobimetallic Compounds with Metal−Metal Bonds: The Use of Quinolyl-Substituted Metallocenes as Tridentate Ligands†","Organometallics","2002","21","6","1111","","10.1021/om010937o","","","0.71073","MoKα","","0.0332","0.0271","","","0.0688","0.0731","","","","","","1.036","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076693","11.0486","0.0001","11.0908","0.0001","13.9456","0.0002","111.469","0.001","105.801","0.001","92.618","0.001","1509.91","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H22 Cl6 Fe N2 Zn2 -","- C29 H22 Cl6 Fe N2 Zn2 -","- C58 H44 Cl12 Fe2 N4 Zn4 -","2","1","","Enders, Markus; Kohl, Gerald; Pritzkow, Hans","Novel Heterobimetallic Compounds with Metal−Metal Bonds: The Use of Quinolyl-Substituted Metallocenes as Tridentate Ligands†","Organometallics","2002","21","6","1111","","10.1021/om010937o","","","0.71073","MoKα","","0.0272","0.025","","","0.0663","0.0674","","","","","","1.044","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076694","9.5003","0.0007","11.1545","0.0008","13.6848","0.0009","106.322","0.001","106.151","0.001","90.491","0.001","1330.89","0.16","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cl4 N2 Ru Zn2 -","- C28 H20 Cl4 N2 Ru Zn2 -","- C56 H40 Cl8 N4 Ru2 Zn4 -","2","1","","Enders, Markus; Kohl, Gerald; Pritzkow, Hans","Novel Heterobimetallic Compounds with Metal−Metal Bonds: The Use of Quinolyl-Substituted Metallocenes as Tridentate Ligands†","Organometallics","2002","21","6","1111","","10.1021/om010937o","","","0.71073","MoKα","","0.0517","0.0335","","","0.0766","0.0871","","","","","","1.056","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076695","14.5536","0.0007","17.9434","0.0009","17.5653","0.0009","90","","99.099","0.001","90","","4529.3","0.4","190","2","190","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 B Cu F4 N2 Ru -","- C28 H20 B Cu F4 N2 Ru -","- C224 H160 B8 Cu8 F32 N16 Ru8 -","8","2","","Enders, Markus; Kohl, Gerald; Pritzkow, Hans","Novel Heterobimetallic Compounds with Metal−Metal Bonds: The Use of Quinolyl-Substituted Metallocenes as Tridentate Ligands†","Organometallics","2002","21","6","1111","","10.1021/om010937o","","","0.71073","MoKα","","0.0524","0.0354","","","0.0868","0.0962","","","","","","1.028","","","","has coordinates","178655","2020-10-21","18:00:00","" "4076696","7.0474","0.0004","20.6909","0.0013","24.7122","0.0016","90","","93.752","0.002","90","","3595.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 F12 Fe N2 O8 -","- C36 H24 F12 Fe N2 O8 -","- C144 H96 F48 Fe4 N8 O32 -","4","1","","Enders, Markus; Kohl, Gerald; Pritzkow, Hans","Novel Heterobimetallic Compounds with Metal−Metal Bonds: The Use of Quinolyl-Substituted Metallocenes as Tridentate Ligands†","Organometallics","2002","21","6","1111","","10.1021/om010937o","","","0.71073","MoKα","","0.0709","0.0483","","","0.1178","0.1321","","","","","","1.03","","","","has coordinates,has disorder","178655","2020-10-21","18:00:00","" "4076697","9.2043","0.0005","20.3045","0.0012","13.8579","0.0008","90","","103.023","0.001","90","","2523.3","0.2","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 Cl4 N2 Ru -","- C29 H24 Cl4 N2 Ru -","- C116 H96 Cl16 N8 Ru4 -","4","1","","Enders, Markus; Kohl, Gerald; Pritzkow, Hans","Novel Heterobimetallic Compounds with Metal−Metal Bonds: The Use of Quinolyl-Substituted Metallocenes as Tridentate Ligands†","Organometallics","2002","21","6","1111","","10.1021/om010937o","","","0.71073","MoKα","","0.0468","0.0344","","","0.0851","0.0947","","","","","","1.049","","","","has coordinates,has disorder","178655","2020-10-21","18:00:00","" "4076698","12.7234","0.0006","13.456","0.0006","23.7193","0.001","90","","90","","90","","4060.9","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","dimesityl-1,8-naphthalenediylborate-Li(py)4 ?","","- C48 H48 B Li N4 -","- C48 H48 B Li N4 -","- C192 H192 B4 Li4 N16 -","4","1","","Hoefelmeyer, James D.; Gabbaï, François P.","Synthesis of 1,8-Diborylnaphthalenes by the Ring-Opening Reaction of a New Anionic Boron-Bridged Naphthalene Derivative","Organometallics","2002","21","5","982","","10.1021/om010946x","","","0.71073","MoKα","","0.0686","0.0519","","","0.1193","0.1278","","","","","","0.976","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076699","8.2988","0.0013","19.918","0.003","14.876","0.002","90","","98.096","0.003","90","","2434.4","0.6","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(dimesitylboryl)-8-(dimethylboryl)naphthalene ?","","- C30 H34 B2 -","- C30 H34 B2 -","- C120 H136 B8 -","4","1","","Hoefelmeyer, James D.; Gabbaï, François P.","Synthesis of 1,8-Diborylnaphthalenes by the Ring-Opening Reaction of a New Anionic Boron-Bridged Naphthalene Derivative","Organometallics","2002","21","5","982","","10.1021/om010946x","","","0.71073","MoKα","","0.1576","0.078","","","0.2034","0.2484","","","","","","1.001","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076700","9.846","0.002","21.25","0.005","15.463","0.003","90","","104.576","0.004","90","","3131.2","1.1","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 B2 -","- C40 H38 B2 -","- C160 H152 B8 -","4","1","","Hoefelmeyer, James D.; Gabbaï, François P.","Synthesis of 1,8-Diborylnaphthalenes by the Ring-Opening Reaction of a New Anionic Boron-Bridged Naphthalene Derivative","Organometallics","2002","21","5","982","","10.1021/om010946x","","","0.71073","MoKα","","0.1324","0.0589","","","0.1152","0.1297","","","","","","1.067","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076701","10.0454","0.0006","11.024","0.0007","11.141","0.0009","94.935","0.004","112.222","0.003","94.093","0.002","1130.64","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H31 Cl3 Ga P -","- C19 H30.315 Cl3 Ga P -","- C38 H60.63 Cl6 Ga2 P2 -","2","1","","Tsang, Chi-Wing; Rohrick, Crystal A.; Saini, Tejindra S.; Patrick, Brian O.; Gates, Derek P.","Reactions of Electrophiles with the Phosphaalkene Mes*PCH2: Mechanistic Studies of a Catalytic Intramolecular C−H Bond Activation Reaction","Organometallics","2002","21","6","1008","","10.1021/om010952t","","","0.71069","MoKα","","0.0521","0.0369","","","0.0861","0.0923","","","","","","1.068","","","","has coordinates,has disorder","178656","2020-10-21","18:00:00","" "4076702","13.128","0.0002","18.9541","0.0002","18.533","","90","","106.427","0.001","90","","4423.32","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H30 O9 Os3 P Sb -","- C45 H30 O9 Os2.994 P Sb0.998 -","- C180 H120 O36 Os11.976 P4 Sb3.992 -","4","1","","Chen, Guizhu; Deng, Mingli; Lee, Chee Keong; Leong, Weng Kee","Nucleophilic Addition Reactions of the Osmium−Antimony Cluster (μ-H)Os3(CO)9(μ3-C6H4)(μ-SbPh2): Orthometalation of Triphenylphosphine at Ambient Temperature","Organometallics","2002","21","6","1227","","10.1021/om010959a","","","0.71073","MoKα","","0.0716","0.0457","","","0.0986","0.111","","","","","","1.149","","","","has coordinates,has disorder","178656","2020-10-21","18:00:00","" "4076703","13.7183","0.0002","17.4565","0.0003","20.1485","0.0002","90","","102.507","0.001","90","","4710.53","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 O9 Os3 P Sb -","- C48 H36 O9 Os3 P Sb -","- C192 H144 O36 Os12 P4 Sb4 -","4","1","","Chen, Guizhu; Deng, Mingli; Lee, Chee Keong; Leong, Weng Kee","Nucleophilic Addition Reactions of the Osmium−Antimony Cluster (μ-H)Os3(CO)9(μ3-C6H4)(μ-SbPh2): Orthometalation of Triphenylphosphine at Ambient Temperature","Organometallics","2002","21","6","1227","","10.1021/om010959a","","","0.71073","MoKα","","0.0689","0.0394","","","0.0698","0.081","","","","","","1.074","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076704","9.7194","0.0002","10.7339","0.0003","40.2425","0.001","90","","95.578","0.001","90","","4178.5","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H30 O8 Os3 P Sb -","- C44 H30 O8 Os3 P Sb -","- C176 H120 O32 Os12 P4 Sb4 -","4","1","","Chen, Guizhu; Deng, Mingli; Lee, Chee Keong; Leong, Weng Kee","Nucleophilic Addition Reactions of the Osmium−Antimony Cluster (μ-H)Os3(CO)9(μ3-C6H4)(μ-SbPh2): Orthometalation of Triphenylphosphine at Ambient Temperature","Organometallics","2002","21","6","1227","","10.1021/om010959a","","","0.71073","MoKα","","0.0628","0.0436","","","0.0877","0.0936","","","","","","1.251","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076705","10.465","0.0002","10.5676","0.0002","18.7774","0.0003","76.96","","76.443","0.001","61.982","0.001","1765.92","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H26 O8 Os3 P Sb -","- C34 H26 O8 Os3 P Sb -","- C68 H52 O16 Os6 P2 Sb2 -","2","1","","Chen, Guizhu; Deng, Mingli; Lee, Chee Keong; Leong, Weng Kee","Nucleophilic Addition Reactions of the Osmium−Antimony Cluster (μ-H)Os3(CO)9(μ3-C6H4)(μ-SbPh2): Orthometalation of Triphenylphosphine at Ambient Temperature","Organometallics","2002","21","6","1227","","10.1021/om010959a","","","0.71073","MoKα","","0.0425","0.0352","","","0.0821","0.0867","","","","","","1.125","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076706","12.9772","0.0002","13.3713","0.0003","15.7753","0.0003","92.31","","109.491","0.001","114.119","0.001","2305.04","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H32 Cl2 O9 Os3 P Sb -","- C46 H32 Cl2 O9 Os3 P Sb -","- C92 H64 Cl4 O18 Os6 P2 Sb2 -","2","1","","Chen, Guizhu; Deng, Mingli; Lee, Chee Keong; Leong, Weng Kee","Nucleophilic Addition Reactions of the Osmium−Antimony Cluster (μ-H)Os3(CO)9(μ3-C6H4)(μ-SbPh2): Orthometalation of Triphenylphosphine at Ambient Temperature","Organometallics","2002","21","6","1227","","10.1021/om010959a","","","0.71073","MoKα","","0.162","0.0646","","","0.113","0.1472","","","","","","0.967","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076707","18.6644","0.0001","10.3866","0.0002","19.8068","0.0003","90","","102.103","0.001","90","","3754.39","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 O9 Os3 P Sb -","- C35 H26 O9 Os3 P Sb -","- C140 H104 O36 Os12 P4 Sb4 -","4","1","","Chen, Guizhu; Deng, Mingli; Lee, Chee Keong; Leong, Weng Kee","Nucleophilic Addition Reactions of the Osmium−Antimony Cluster (μ-H)Os3(CO)9(μ3-C6H4)(μ-SbPh2): Orthometalation of Triphenylphosphine at Ambient Temperature","Organometallics","2002","21","6","1227","","10.1021/om010959a","","","0.71073","MoKα","","0.0869","0.0456","","","0.0691","0.0822","","","","","","1.132","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076708","13.4047","0.0001","23.8087","0.0003","26.2516","0.0001","64.522","0.001","82.59","0.001","89.91","0.001","7486.61","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C148.75 H109.5 Cl1.5 O16 Os6 P6 Sb2 -","- C148.75 H109.5 Cl1.5 O16 Os6 P6 Sb2 -","- C297.5 H219 Cl3 O32 Os12 P12 Sb4 -","2","1","","Chen, Guizhu; Deng, Mingli; Lee, Chee Keong; Leong, Weng Kee","Nucleophilic Addition Reactions of the Osmium−Antimony Cluster (μ-H)Os3(CO)9(μ3-C6H4)(μ-SbPh2): Orthometalation of Triphenylphosphine at Ambient Temperature","Organometallics","2002","21","6","1227","","10.1021/om010959a","","","0.71073","MoKα","","0.1335","0.0715","","","0.1657","0.1996","","","","","","1.039","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076709","12.0001","0.0002","12.7351","0.0001","20.6397","0.0002","75.511","0.001","82.52","","71.545","0.001","2892.37","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H47 Cl2 O7 Os3 P2 Sb -","- C62 H47 Cl2 O7 Os3 P2 Sb -","- C124 H94 Cl4 O14 Os6 P4 Sb2 -","2","1","","Chen, Guizhu; Deng, Mingli; Lee, Chee Keong; Leong, Weng Kee","Nucleophilic Addition Reactions of the Osmium−Antimony Cluster (μ-H)Os3(CO)9(μ3-C6H4)(μ-SbPh2): Orthometalation of Triphenylphosphine at Ambient Temperature","Organometallics","2002","21","6","1227","","10.1021/om010959a","","","0.71073","MoKα","","0.0443","0.033","","","0.0781","0.0855","","","","","","1.186","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076710","25.2643","0.0015","25.8642","0.0014","14.0979","0.0008","90","","93.517","0.001","90","","9194.8","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H32 B11 N -","- C17 H32 B11 N -","- C272 H512 B176 N16 -","16","2","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Organolanthanide Complexes Derived from a New, Versatile Boron-Bridged Ligand,iPr2NB(C9H7)(C2B10H11)†","Organometallics","2002","21","6","1136","","10.1021/om010973n","","","0.71073","MoKα","","0.1724","0.0757","","","0.2005","0.248","","","","","","0.933","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076711","22.112","0.0003","21.537","0.0004","27.987","0.0005","90","","90","","90","","13328.1","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H90 B22 Li N2 O6 Sm -","- C46 H90 B22 Li N2 O6 Sm -","- C368 H720 B176 Li8 N16 O48 Sm8 -","8","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Organolanthanide Complexes Derived from a New, Versatile Boron-Bridged Ligand,iPr2NB(C9H7)(C2B10H11)†","Organometallics","2002","21","6","1136","","10.1021/om010973n","","","0.71073","MoKα","","0.0794","0.0612","","","0.1683","0.184","","","","","","1.015","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076712","12.615","0.003","14.785","0.003","19.744","0.004","72.506","0.005","81.544","0.005","89.084","0.005","3472.5","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C51.5 H93.5 B22 Li N2 O4 Sm -","- C51.5 H92.5 B22 Li N2 O4 Sm -","- C103 H185 B44 Li2 N4 O8 Sm2 -","2","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Organolanthanide Complexes Derived from a New, Versatile Boron-Bridged Ligand,iPr2NB(C9H7)(C2B10H11)†","Organometallics","2002","21","6","1136","","10.1021/om010973n","","","0.71073","MoKα","","0.1457","0.0695","","","0.1518","0.1884","","","","","","0.934","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4076713","22.2311","0.001","21.2643","0.001","27.965","0.0014","90","","90","","90","","13219.9","1.1","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H90 B22 Li N2 O6 Yb -","- C46 H90 B22 Li N2 O6 Yb -","- C368 H720 B176 Li8 N16 O48 Yb8 -","8","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Organolanthanide Complexes Derived from a New, Versatile Boron-Bridged Ligand,iPr2NB(C9H7)(C2B10H11)†","Organometallics","2002","21","6","1136","","10.1021/om010973n","","","0.71073","MoKα","","0.0958","0.0474","","","0.1183","0.1537","","","","","","1.068","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076714","12.658","0.0005","14.9131","0.0006","19.584","0.0008","72.676","0.001","80.756","0.001","88.639","0.001","3482.2","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H95 B22 Li N2 O4 Yb -","- C53 H95 B22 Li N2 O4 Yb -","- C106 H190 B44 Li2 N4 O8 Yb2 -","2","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Organolanthanide Complexes Derived from a New, Versatile Boron-Bridged Ligand,iPr2NB(C9H7)(C2B10H11)†","Organometallics","2002","21","6","1136","","10.1021/om010973n","","","0.71073","MoKα","","0.0404","0.0338","","","0.0897","0.092","","","","","","1.15","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076715","14.662","0.004","12.708","0.004","36.851","0.011","90","","93.739","0.006","90","","6852","4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H92 B22 Li N2 O4 Yb -","- C50 H92 B22 Li N2 O4 Yb -","- C200 H368 B88 Li4 N8 O16 Yb4 -","4","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Organolanthanide Complexes Derived from a New, Versatile Boron-Bridged Ligand,iPr2NB(C9H7)(C2B10H11)†","Organometallics","2002","21","6","1136","","10.1021/om010973n","","","0.71073","MoKα","","0.252","0.0836","","","0.1688","0.2213","","","","","","0.793","","","","has coordinates,has disorder","178656","2020-10-21","18:00:00","" "4076716","11.5048","0.0007","11.8508","0.0007","16.412","0.001","101.567","0.001","99.879","0.001","98.588","0.001","2120.2","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H60 B11 N2 Nd O2 Si2 -","- C29 H60 B11 N2 Nd O2 Si2 -","- C58 H120 B22 N4 Nd2 O4 Si4 -","2","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Organolanthanide Complexes Derived from a New, Versatile Boron-Bridged Ligand,iPr2NB(C9H7)(C2B10H11)†","Organometallics","2002","21","6","1136","","10.1021/om010973n","","","0.71073","MoKα","","0.0395","0.0311","","","0.0737","0.077","","","","","","0.994","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076717","11.6525","0.0005","8.9999","0.0004","15.7359","0.0007","90","","105.304","0.001","90","","1591.73","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cl3 Nd O4 -","- C8 H20 Cl3 Nd O4 -","- C32 H80 Cl12 Nd4 O16 -","4","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Organolanthanide Complexes Derived from a New, Versatile Boron-Bridged Ligand,iPr2NB(C9H7)(C2B10H11)†","Organometallics","2002","21","6","1136","","10.1021/om010973n","","","0.71073","MoKα","","0.0302","0.0252","","","0.0651","0.0672","","","","","","1.009","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076718","9.2239","0.0014","16.112","0.002","14.82","0.002","90","","97.487","0.003","90","","2183.7","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N2 O8 Re -","- C20 H17 N2 O8 Re -","- C80 H68 N8 O32 Re4 -","4","1","","Hevia, Eva; Pérez, Julio; Riera, Lucía; Riera, Víctor; Miguel, Daniel","Reactive Alkoxide Complexes of Groups 6 and 7 Metals","Organometallics","2002","21","9","1750","","10.1021/om010977s","","","0.71073","MoKα","","0.0418","0.0372","","","0.0898","0.0917","","","","","","1.108","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076719","10.198","0.002","10.487","0.003","13.233","0.003","74.658","0.004","73.658","0.004","63.303","0.004","1197.4","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Mo N2 O7 -","- C24 H22 Mo N2 O7 -","- C48 H44 Mo2 N4 O14 -","2","1","","Hevia, Eva; Pérez, Julio; Riera, Lucía; Riera, Víctor; Miguel, Daniel","Reactive Alkoxide Complexes of Groups 6 and 7 Metals","Organometallics","2002","21","9","1750","","10.1021/om010977s","","","0.71073","MoKα","","0.0638","0.0586","","","0.1448","0.1536","","","","","","1.096","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076720","15.087","0.005","9.997","0.005","23.272","0.005","90","","98.531","0.005","90","","3471","2","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 Au Fe3 O9 P -","- C33 H24 Au Fe3 O9 P -","- C132 H96 Au4 Fe12 O36 P4 -","4","1","","Delgado, Esther; Donnadieu, Bruno; García, M. Esther; García, Silvia; Ruiz, Miguel A.; Zamora, Félix","Fast and Reversible Intramolecular Cleavage of an Au−C Bond in the Spiked-Triangular Metal Complexes [Fe3Au(μ4,η2-C⋮CtBu)(CO)9(PR3)] (R = Ph,iPr)","Organometallics","2002","21","5","780","","10.1021/om010980b","","","0.71073","MoKα","","0.063","0.0472","","","0.1162","0.1238","","","","","","1.034","","","","has coordinates,has disorder","178656","2020-10-21","18:00:00","" "4076721","10.526","0.0009","13.209","0.0011","17.2804","0.0014","90","","93.753","0.002","90","","2397.5","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(PN)Pt(SiMe3)(CCPh)","","","- C21 H38 N P Pt Si -","- C21 H28 N P Pt Si -","- C84 H112 N4 P4 Pt4 Si4 -","4","1","","Müller, Christian; Lachicotte, Rene J.; Jones, William D.","Thermal and Photochemical Silicon−Carbon Bond Activation in Donor-Stabilized Platinum(0)−Alkyne Complexes","Organometallics","2002","21","6","1190","","10.1021/om010984g","","","0.71073","MoKα","","0.0895","0.0676","","","0.1045","0.1103","","","","","","1.221","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076722","11.6703","0.0007","20.3841","0.0012","17.0001","0.001","90","","110.075","0.001","90","","3798.4","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(dchpe)Pt(SiMe3)(CCPh)","","","- C37 H62 P2 Pt Si -","- C37 H62 P2 Pt Si -","- C148 H248 P8 Pt4 Si4 -","4","1","","Müller, Christian; Lachicotte, Rene J.; Jones, William D.","Thermal and Photochemical Silicon−Carbon Bond Activation in Donor-Stabilized Platinum(0)−Alkyne Complexes","Organometallics","2002","21","6","1190","","10.1021/om010984g","","","0.71073","MoKα","","0.0464","0.0427","","","0.0633","0.0639","","","","","","1.556","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076723","10.1007","0.0005","10.5648","0.0006","17.7358","0.0009","81.982","0.001","76.93","0.001","77.55","0.001","1792.03","0.16","193","2","193","2","","","","","","","","6","P -1","-P 1","2","(Me2NC2H4PiPr2)2Pt(Me3SiCCPh)","","","- C31 H62 N2 P2 Pt Si -","- C31 H62 N2 P2 Pt Si -","- C62 H124 N4 P4 Pt2 Si2 -","2","1","","Müller, Christian; Lachicotte, Rene J.; Jones, William D.","Thermal and Photochemical Silicon−Carbon Bond Activation in Donor-Stabilized Platinum(0)−Alkyne Complexes","Organometallics","2002","21","6","1190","","10.1021/om010984g","","","0.71073","MoKα","","0.0396","0.0385","","","0.1037","0.1046","","","","","","1.059","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076724","15.0765","0.0008","18.2432","0.0009","22.8563","0.0011","85.248","0.001","79.552","0.001","73.502","0.001","5924.4","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","[(PN)(TMS)Pt]CCCC[Pt(PN)(TMS)]","","","- C30 H66 N2 P2 Pt2 Si2 -","- C30 H63 N2 P2 Pt2 Si2 -","- C180 H378 N12 P12 Pt12 Si12 -","6","3","","Müller, Christian; Lachicotte, Rene J.; Jones, William D.","Thermal and Photochemical Silicon−Carbon Bond Activation in Donor-Stabilized Platinum(0)−Alkyne Complexes","Organometallics","2002","21","6","1190","","10.1021/om010984g","","","0.71073","MoKα","","0.1148","0.097","","","0.2075","0.2177","","","","","","1.059","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076725","21.147","0.001","10.1298","0.0005","19.766","0.001","90","","117.247","0.001","90","","3764.4","0.3","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H55 I Li2 N5 O1.5 Sm -","- C30 H50 I Li2 N5 O1.5 Sm -","- C120 H200 I4 Li8 N20 O6 Sm4 -","4","1","","Ganesan, Mani; Bérubé, Christian D.; Gambarotta, Sandro; Yap, Glenn P. A.","Effect of the Alkali-Metal Cation on the Bonding Mode of 2,5-Dimethylpyrrole in Divalent Samarium and Ytterbium Complexes","Organometallics","2002","21","8","1707","1713","10.1021/om0109915","","","0.71073","MoKα","","0.0604","0.0422","","0.1085","0.1022","","","","1.03","1.105","1.105","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076726","11.307","0.004","13.137","0.005","17.091","0.006","89.778","0.004","81.829","0.004","66.946","0.004","2308.5","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H56 Cl Li2 N3 O4 Sm -","- C34 H56 Cl Li2 N3 O4 Sm -","- C68 H112 Cl2 Li4 N6 O8 Sm2 -","2","1","","Ganesan, Mani; Bérubé, Christian D.; Gambarotta, Sandro; Yap, Glenn P. A.","Effect of the Alkali-Metal Cation on the Bonding Mode of 2,5-Dimethylpyrrole in Divalent Samarium and Ytterbium Complexes","Organometallics","2002","21","8","1707","1713","10.1021/om0109915","","","0.71073","MoKα","","0.1264","0.0824","","","0.2028","0.2208","","","","","","1.013","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076727","11.475","0.002","11.541","0.002","15.711","0.003","90","","109.508","0.003","90","","1961.2","0.6","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 Cl2 Li2 N4 O2 Yb2 -","- C32 H52 Cl2 Li2 N4 O2 Yb2 -","- C64 H104 Cl4 Li4 N8 O4 Yb4 -","2","0.5","","Ganesan, Mani; Bérubé, Christian D.; Gambarotta, Sandro; Yap, Glenn P. A.","Effect of the Alkali-Metal Cation on the Bonding Mode of 2,5-Dimethylpyrrole in Divalent Samarium and Ytterbium Complexes","Organometallics","2002","21","8","1707","1713","10.1021/om0109915","","","0.71073","MoKα","","0.0771","0.0536","","","0.1214","0.1262","","","","","","1.022","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076729","11.564","0.002","16.366","0.003","19.305","0.004","64.99","0.003","80.609","0.003","78.348","0.003","3230.3","1.1","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H96 N6 Na2 O6 Sm2 -","- C60 H96 N6 Na2 O6 Sm2 -","- C120 H192 N12 Na4 O12 Sm4 -","2","1","","Ganesan, Mani; Bérubé, Christian D.; Gambarotta, Sandro; Yap, Glenn P. A.","Effect of the Alkali-Metal Cation on the Bonding Mode of 2,5-Dimethylpyrrole in Divalent Samarium and Ytterbium Complexes","Organometallics","2002","21","8","1707","1713","10.1021/om0109915","","","0.71073","MoKα","","0.0983","0.0488","","","0.1083","0.1229","","","","","","1.052","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076730","9.056","0.0009","11.162","0.001","15.354","0.002","77.044","0.002","86.608","0.002","76.605","0.002","1471.3","0.3","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C23.5 H36 I2 Li2 N2 O2 Yb -","- C23.5 H36 I2 Li2 N2 O2 Yb -","- C47 H72 I4 Li4 N4 O4 Yb2 -","2","1","","Ganesan, Mani; Bérubé, Christian D.; Gambarotta, Sandro; Yap, Glenn P. A.","Effect of the Alkali-Metal Cation on the Bonding Mode of 2,5-Dimethylpyrrole in Divalent Samarium and Ytterbium Complexes","Organometallics","2002","21","8","1707","1713","10.1021/om0109915","","","0.71073","MoKα","","0.0552","0.0424","","","0.099","0.104","","","","","","1.007","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25","" "4076731","11.972","0.002","11.064","0.002","23.357","0.003","90","","99.98","0.003","90","","3047","0.8","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H86.36 Cl4 Li4 N4 O6 Yb2 -","- C48 H86.308 Cl4 Li4 N4 O6 Yb2 -","- C96 H172.616 Cl8 Li8 N8 O12 Yb4 -","2","0.5","","Ganesan, Mani; Bérubé, Christian D.; Gambarotta, Sandro; Yap, Glenn P. A.","Effect of the Alkali-Metal Cation on the Bonding Mode of 2,5-Dimethylpyrrole in Divalent Samarium and Ytterbium Complexes","Organometallics","2002","21","8","1707","1713","10.1021/om0109915","","","0.71073","MoKα","","0.0789","0.0402","","","0.0722","0.0794","","","","","","1.056","","","","has coordinates,has disorder","178656","2020-10-21","18:00:00","" "4076732","11.244","0.002","15.124","0.002","10.302","0.002","90","","90","","90","","1751.9","0.5","203","2","203","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H48 K2 N4 O2 Yb -","- C32 H48 K2 N4 O2 Yb -","- C64 H96 K4 N8 O4 Yb2 -","2","0.5","","Ganesan, Mani; Bérubé, Christian D.; Gambarotta, Sandro; Yap, Glenn P. A.","Effect of the Alkali-Metal Cation on the Bonding Mode of 2,5-Dimethylpyrrole in Divalent Samarium and Ytterbium Complexes","Organometallics","2002","21","8","1707","1713","10.1021/om0109915","","","0.71073","MoKα","","0.0567","0.0343","","","0.051","0.0531","","","","","","1.02","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076733","8.741","0.002","9.793","0.002","20.843","0.005","82.333","0.004","88.424","0.005","65.987","0.004","1614.5","0.6","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H43 Cl2 Mn N3 -","- C33 H43 Cl2 Mn N3 -","- C66 H86 Cl4 Mn2 N6 -","2","1","","Reardon, Damien; Aharonian, Ghazar; Gambarotta, Sandro; Yap, Glenn P. A.","Mono- and Zerovalent Manganese Alkyl Complexes Supported by the α,α‘-Diiminato Pyridine Ligand: Alkyl Stabilization at the Expense of Catalytic Performance","Organometallics","2002","21","5","786","","10.1021/om0110078","","","0.71073","MoKα","","0.0882","0.0564","","","0.1463","0.1652","","","","","","1.039","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076734","14.159","0.003","8.7749","0.0017","25.3","0.005","90","","94.784","0.004","90","","3132.4","1.1","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Mn N3 -","- C34 H46 Mn N3 -","- C136 H184 Mn4 N12 -","4","1","","Reardon, Damien; Aharonian, Ghazar; Gambarotta, Sandro; Yap, Glenn P. A.","Mono- and Zerovalent Manganese Alkyl Complexes Supported by the α,α‘-Diiminato Pyridine Ligand: Alkyl Stabilization at the Expense of Catalytic Performance","Organometallics","2002","21","5","786","","10.1021/om0110078","","","0.71073","MoKα","","0.0945","0.0618","","","0.1582","0.1707","","","","","","1.043","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076735","19.039","0.003","15.776","0.003","18.905","0.003","90","","90.81","0.004","90","","5677.7","1.7","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H94 Li Mn N3 O4 Si -","- C53 H94 Li Mn N3 O4 Si -","- C212 H376 Li4 Mn4 N12 O16 Si4 -","4","1","","Reardon, Damien; Aharonian, Ghazar; Gambarotta, Sandro; Yap, Glenn P. A.","Mono- and Zerovalent Manganese Alkyl Complexes Supported by the α,α‘-Diiminato Pyridine Ligand: Alkyl Stabilization at the Expense of Catalytic Performance","Organometallics","2002","21","5","786","","10.1021/om0110078","","","0.71073","MoKα","","0.1052","0.0615","","","0.1415","0.1687","","","","","","1.024","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076736","12.468","0.0002","14.349","0.0003","14.203","0.0003","90","","109.571","0.0008","90","","2394.17","0.08","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H34 B2 O4 -","- C25 H34 B2 O4 -","- C100 H136 B8 O16 -","4","0.5","","Abu Ali, Hijazi; Goldberg, Israel; Kaufmann, Dieter; Burmeister, Christian; Srebnik, Morris","Novel C1-Bridged Bisboronate Derivatives by Insertion of Diazoalkanes into Bis(pinacolato)diborane(4)⊥","Organometallics","2002","21","9","1870","","10.1021/om011012b","","","0.71073","MoKα","","0.0579","0.0424","","","0.1048","0.1136","","","","","","1.016","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076737","13.051","0.0002","14.522","0.0002","12.411","0.0002","90","","117.245","0.0006","90","","2091.25","0.06","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 B2 O4 -","- C20 H32 B2 O4 -","- C80 H128 B8 O16 -","4","1","","Abu Ali, Hijazi; Goldberg, Israel; Kaufmann, Dieter; Burmeister, Christian; Srebnik, Morris","Novel C1-Bridged Bisboronate Derivatives by Insertion of Diazoalkanes into Bis(pinacolato)diborane(4)⊥","Organometallics","2002","21","9","1870","","10.1021/om011012b","","","0.71073","MoKα","","0.0547","0.0409","","","0.0959","0.1037","","","","","","1","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076738","53.943","0.0003","10.337","0.0003","15.761","0.0006","90","","90","0.002","90","","8788.5","0.4","110","2","110","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C22 H34 B2 O4 -","- C22 H34 B2 O4 -","- C352 H544 B32 O64 -","16","1","","Abu Ali, Hijazi; Goldberg, Israel; Kaufmann, Dieter; Burmeister, Christian; Srebnik, Morris","Novel C1-Bridged Bisboronate Derivatives by Insertion of Diazoalkanes into Bis(pinacolato)diborane(4)⊥","Organometallics","2002","21","9","1870","","10.1021/om011012b","","","0.7107","MoKα","","0.0477","0.0393","","","0.0939","0.0982","","","","","","1.059","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076739","9.198","0.0002","9.415","0.0002","13.59","0.0004","90","","106.379","0.001","90","","1129.12","0.05","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H34 B2 O5 -","- C21 H34 B2 O5 -","- C42 H68 B4 O10 -","2","1","","Abu Ali, Hijazi; Goldberg, Israel; Kaufmann, Dieter; Burmeister, Christian; Srebnik, Morris","Novel C1-Bridged Bisboronate Derivatives by Insertion of Diazoalkanes into Bis(pinacolato)diborane(4)⊥","Organometallics","2002","21","9","1870","","10.1021/om011012b","","","0.71073","MoKα","","0.0481","0.0382","","","0.0969","0.1044","","","","","","0.982","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076740","13.4154","0.0008","15.7625","0.0009","21.1569","0.0012","90","","90","","90","","4473.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[Et4N][Ru(Sxylyl)4Cl] ?","","- C41 H58 Cl3 N Ru S4 -","- C41 H58 Cl3 N Ru S4 -","- C164 H232 Cl12 N4 Ru4 S16 -","4","1","","Zhang, Qian-Feng; Lai, Chui-Ying; Wong, Wai-Yeung; Leung, Wa-Hung","σ-Acetylide Complexes of Ruthenium(IV) and Osmium(IV) Thiolates","Organometallics","2002","21","19","4017","","10.1021/om011019t","","","0.71073","MoKα","","0.0817","0.0385","","","0.0853","0.103","","","","","","0.762","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076741","11.0214","0.0008","15.2185","0.0011","16.4208","0.0012","90","","102.148","0.001","90","","2692.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Ru(Sxylyl)3(MeCN)Cl]?","","- C26 H30 Cl N Ru S3 -","- C26 H30 Cl N Ru S3 -","- C104 H120 Cl4 N4 Ru4 S12 -","4","1","","Zhang, Qian-Feng; Lai, Chui-Ying; Wong, Wai-Yeung; Leung, Wa-Hung","σ-Acetylide Complexes of Ruthenium(IV) and Osmium(IV) Thiolates","Organometallics","2002","21","19","4017","","10.1021/om011019t","","","0.71073","MoKα","","0.061","0.0335","","","0.0742","0.0829","","","","","","0.946","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076742","11.3258","0.0007","15.619","0.001","22.3168","0.0015","90","","98.347","0.001","90","","3906","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Et3NH][Ru(Sxylyl)3Cl(Cctol)]?","","- C39 H50 Cl N Ru S3 -","- C39 H50 Cl N Ru S3 -","- C156 H200 Cl4 N4 Ru4 S12 -","4","1","","Zhang, Qian-Feng; Lai, Chui-Ying; Wong, Wai-Yeung; Leung, Wa-Hung","σ-Acetylide Complexes of Ruthenium(IV) and Osmium(IV) Thiolates","Organometallics","2002","21","19","4017","","10.1021/om011019t","","","0.71073","MoKα","","0.0911","0.0528","","","0.1475","0.1883","","","","","","0.896","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076743","9.2197","0.0007","9.9086","0.0007","12.3324","0.0009","108.901","0.001","100.538","0.001","97.534","0.001","1025.71","0.13","293","2","293","2","","","","","","","","6","P 1","P 1","1","","trans-[Ru(t-BuNC)4(Sxylyl)2].2H2O?","","- C36 H58 N4 O2 Ru S2 -","- C36 H54 N4 O2 Ru S2 -","- C36 H54 N4 O2 Ru S2 -","1","1","","Zhang, Qian-Feng; Lai, Chui-Ying; Wong, Wai-Yeung; Leung, Wa-Hung","σ-Acetylide Complexes of Ruthenium(IV) and Osmium(IV) Thiolates","Organometallics","2002","21","19","4017","","10.1021/om011019t","","","0.71073","MoKα","","0.0371","0.0368","","","0.1026","0.1035","","","","","","1.05","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076744","11.0445","0.0007","15.2828","0.001","16.4988","0.001","90","","102.403","0.001","90","","2719.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Os(xylyl)3(MeCN)Cl]?","","- C26 H30 Cl N Os S3 -","- C26 H30 Cl N Os S3 -","- C104 H120 Cl4 N4 Os4 S12 -","4","1","","Zhang, Qian-Feng; Lai, Chui-Ying; Wong, Wai-Yeung; Leung, Wa-Hung","σ-Acetylide Complexes of Ruthenium(IV) and Osmium(IV) Thiolates","Organometallics","2002","21","19","4017","","10.1021/om011019t","","","0.71073","MoKα","","0.0496","0.0284","","","0.0664","0.075","","","","","","0.788","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076745","10.0292","0.0002","16.2023","0.0002","11.6971","0.0002","90","","94.761","0.001","90","","1894.17","0.06","200","2","200","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C42 H34 B Cl I N O2 Os P2 -","- C42 H34 B Cl I N O2 Os P2 -","- C84 H68 B2 Cl2 I2 N2 O4 Os2 P4 -","2","1","","Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James","Tethered Osmium Boryl Complexes from the Reaction of Os(BCl2)Cl(CO)(PPh3)2with 2-Hydroxypyridine","Organometallics","2002","21","8","1714","","10.1021/om011029u","","","0.71073","MoKα","","0.0201","0.0193","","","0.0513","0.0527","","","","","","0.79","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076746","9.4822","0.0001","11.5729","0.0001","21.3401","0.0001","82.024","0.001","81.023","0.001","67.463","0.0001","2128.44","0.03","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H44 B Cl N2 O2.5 Os P2 -","- C47.5 H44 B Cl N2 O2.5 Os P2 -","- C95 H88 B2 Cl2 N4 O5 Os2 P4 -","2","1","","Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James","Tethered Osmium Boryl Complexes from the Reaction of Os(BCl2)Cl(CO)(PPh3)2with 2-Hydroxypyridine","Organometallics","2002","21","8","1714","","10.1021/om011029u","","","0.71073","MoKα","","0.0249","0.0216","","","0.0508","0.0524","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076747","7.795","0.0007","13.571","0.001","20.789","0.002","90","","94.538","0.002","90","","2192.3","0.3","153","","153","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Br2 N6 Ni O3 -","- C20 H18 Br2 N6 Ni O3 -","- C80 H72 Br8 N24 Ni4 O12 -","4","1","","Baker, Murray V.; Skelton, Brian W.; White, Allan H.; Williams, Charlotte C.","Synthesis and Characterization of a Saddle-Shaped Nickel−Carbene Complex Derived from an Imidazolium-Linkedmeta-Cyclophane","Organometallics","2002","21","13","2674","","10.1021/om011031l","","","0.71073","MoKα","","0.101","0.071","","0.09","","0.084","","","1.212","","","1.401","","","","has coordinates","176432","2020-10-21","18:00:00","" "4076748","17.1148","0.0008","9.3002","0.0004","32.6894","0.0015","90","","103.543","0.001","90","","5058.5","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 O8 S2 Zr2 -","- C52 H76 O8 S2 Zr2 -","- C208 H304 O32 S8 Zr8 -","4","1","","Wenzel, Barbara; Lönnecke, Peter; Hey-Hawkins, Evamarie","Early-Transition-Metal Macrocycles as Metalloligands: Synthesis and Structure of Dinuclear Zirconocene Thioglycolates [Cp°2Zr{OOC(CH2SCH2)nCOO}2ZrCp°2] (n= 1, 2) and Their Heterobimetallic Complexes with Mo0and PdII ‡","Organometallics","2002","21","10","2070","","10.1021/om0110336","","","0.71073","MoKα","","0.0792","0.0376","","","0.0794","0.1051","","","","","","0.971","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076749","9.012","0.002","9.454","0.002","17.75","0.004","87.781","0.004","83.709","0.004","71.316","0.004","1424","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H84 O8 S4 Zr2 -","- C56 H84 O8 S4 Zr2 -","- C56 H84 O8 S4 Zr2 -","1","0.5","","Wenzel, Barbara; Lönnecke, Peter; Hey-Hawkins, Evamarie","Early-Transition-Metal Macrocycles as Metalloligands: Synthesis and Structure of Dinuclear Zirconocene Thioglycolates [Cp°2Zr{OOC(CH2SCH2)nCOO}2ZrCp°2] (n= 1, 2) and Their Heterobimetallic Complexes with Mo0and PdII ‡","Organometallics","2002","21","10","2070","","10.1021/om0110336","","","0.71073","MoKα","","0.1439","0.1006","","","0.2666","0.2884","","","","","","1.092","","","","has coordinates,has disorder","178656","2020-10-21","18:00:00","" "4076750","9.8376","0.0014","11.131","0.0016","17.628","0.003","99.365","0.002","106.104","0.002","98.287","0.002","1793","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H92 Mo2 O18 S2 Zr2 -","- C68 H92 Mo2 O18 S2 Zr2 -","- C68 H92 Mo2 O18 S2 Zr2 -","1","0.5","","Wenzel, Barbara; Lönnecke, Peter; Hey-Hawkins, Evamarie","Early-Transition-Metal Macrocycles as Metalloligands: Synthesis and Structure of Dinuclear Zirconocene Thioglycolates [Cp°2Zr{OOC(CH2SCH2)nCOO}2ZrCp°2] (n= 1, 2) and Their Heterobimetallic Complexes with Mo0and PdII ‡","Organometallics","2002","21","10","2070","","10.1021/om0110336","","","0.71073","MoKα","","0.0876","0.0451","","","0.096","0.1139","","","","","","0.992","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076751","13.655","0.01","14.991","0.002","16.835","0.002","108.886","0.002","108.48","0.003","90.104","0.003","3071","2","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C46 H20 Cl2 F12 N2 P2 Pd S2 Sb2 -","- C60 H40.5 Cl0.7 F12 N2 P2 Pd S1.8 Sb2 -","- C120 H81 Cl1.4 F24 N4 P4 Pd2 S3.6 Sb4 -","2","1","","Sauthier, Mathieu; Leca, François; Toupet, Loïc; Réau, Régis","Palladium Complexes of a Novel Family of P,N-Chelates, the 2-(2-Pyridyl)phospholes: Synthesis, Structural Characterization, and Catalytic Activity for Olefin/CO Copolymerization","Organometallics","2002","21","8","1591","","10.1021/om011034y","","","0.71069","MoKα","","0.1363","0.0735","","","0.2112","0.2535","","","","","","0.964","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076752","8.1769","0.0004","8.9312","0.0003","16.6333","0.0008","90","","93.402","0.004","90","","1212.58","0.09","294","","294","","","","","","","","?","6","P 1 21/c 1","-P 2ybc","14","","","","- C9.5 H21 Cl0.5 O0.5 P Rh0.5 -","- C9.5 H21 Cl0.5 O0.5 P Rh0.5 -","- C38 H84 Cl2 O2 P4 Rh2 -","4","1","","Wilson, Matthew R.; Prock, Alfred; Giering, Warren P.; Fernandez, Anthony L.; Haar, Christopher M.; Nolan, Steven P.; Foxman, Bruce M.","π Effects Involving Rh−PZ3Compounds. The Quantitative Analysis of Ligand Effects (QALE)","Organometallics","2002","21","13","2758","","10.1021/om011035q","","","0.71073","MoKα","","","0.0249","","","0.0293","","","","","0.996","0.996","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4076753","9.9412","0.0006","10.2413","0.0005","10.7881","0.0005","113.774","0.004","109.198","0.004","90.786","0.004","935.55","0.1","294","","294","","","","","","","","?","6","P -1","-P 1","2","","","","- C18.5 H33 Cl0.5 O0.5 P Rh0.5 -","- C18.5 H33 Cl0.5 O0.5 P Rh0.5 -","- C37 H66 Cl O P2 Rh -","2","1","","Wilson, Matthew R.; Prock, Alfred; Giering, Warren P.; Fernandez, Anthony L.; Haar, Christopher M.; Nolan, Steven P.; Foxman, Bruce M.","π Effects Involving Rh−PZ3Compounds. The Quantitative Analysis of Ligand Effects (QALE)","Organometallics","2002","21","13","2758","","10.1021/om011035q","","","0.71073","MoKα","","","0.0235","","","0.0268","","","","","1.0633","1.0633","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4076754","13.878","0.005","14.199","0.005","27.619","0.009","97.97","0.02","98.67","0.02","102.12","0.02","5178","3","208","2","208","2","","","","","","","","6","P -1","-P 1","2","","","","- C103 H82 B2 F48 P2 Ru -","- C103 H82 B2 F48 P2 Ru -","- C206 H164 B4 F96 P4 Ru2 -","2","1","","Bustelo, Emilio; Jiménez-Tenorio, Manuel; Mereiter, Kurt; Puerta, M. Carmen; Valerga, Pedro","Reactivity of the Electron-Rich Allenylidene−Ruthenium Complexes [Cp*Ru{CCC(R)Ph}(dippe)][BPh4] (R = H, Ph). X-Ray Crystal Structure of a Novel Dicationic Ruthenium Carbyne (Cp* = C5Me5; dippe = 1,2-bis(diisopropylphosphine)ethane)","Organometallics","2002","21","9","1903","","10.1021/om0110538","","","0.71073","MoKα","","0.063","0.0528","","","0.1322","0.1404","","","","","","1.027","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076755","12.771","0.003","15.094","0.003","20.385","0.004","90","","97.16","0.01","90","","3898.9","1.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H62 O P2 Ru -","- C42 H62 O P2 Ru -","- C168 H248 O4 P8 Ru4 -","4","1","","Bustelo, Emilio; Jiménez-Tenorio, Manuel; Mereiter, Kurt; Puerta, M. Carmen; Valerga, Pedro","Reactivity of the Electron-Rich Allenylidene−Ruthenium Complexes [Cp*Ru{CCC(R)Ph}(dippe)][BPh4] (R = H, Ph). X-Ray Crystal Structure of a Novel Dicationic Ruthenium Carbyne (Cp* = C5Me5; dippe = 1,2-bis(diisopropylphosphine)ethane)","Organometallics","2002","21","9","1903","","10.1021/om0110538","","","0.71073","MoKα","","0.0439","0.0358","","","0.0885","0.098","","","","","","1.09","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076756","9.851","0.003","10.557","0.003","37.831","0.009","90","","95.42","0.01","90","","3916.7","1.9","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H60 N2 P2 Ru -","- C42 H60 N2 P2 Ru -","- C168 H240 N8 P8 Ru4 -","4","1","","Bustelo, Emilio; Jiménez-Tenorio, Manuel; Mereiter, Kurt; Puerta, M. Carmen; Valerga, Pedro","Reactivity of the Electron-Rich Allenylidene−Ruthenium Complexes [Cp*Ru{CCC(R)Ph}(dippe)][BPh4] (R = H, Ph). X-Ray Crystal Structure of a Novel Dicationic Ruthenium Carbyne (Cp* = C5Me5; dippe = 1,2-bis(diisopropylphosphine)ethane)","Organometallics","2002","21","9","1903","","10.1021/om0110538","","","0.71073","MoKα","","0.0494","0.0471","","","0.0961","0.097","","","","","","1.316","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076757","9.9402","0.0009","16.4924","0.0014","15.1391","0.0013","90","","105.424","0.001","90","","2392.5","0.4","203","2","203","2","","","","","","","","6","P 1 21 1","P 2yb","4","Me4-ansachromocene(CO) + B(RF)4","","","- C49 H32 B Cr F24 O -","- C49 H32 B Cr F24 O -","- C98 H64 B2 Cr2 F48 O2 -","2","1","","Foo, David M. J.; Sinnema, Piet-Jan; Twamley, Brendan; Shapiro, Pamela J.","Isolation of a Stableansa-Chromocene(III) Carbonyl Cation and Characterization of a Transient, Cationicansa-Chromocene(IV) Carbonyl Hydride","Organometallics","2002","21","6","1005","","10.1021/om011066l","","","0.71073","MoKα","","0.0617","0.0534","","","0.1427","0.1494","","","","","","1.067","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076758","9.3336","0.0003","19.3177","0.0009","20.2094","0.0009","91.816","0.002","94.81","0.003","94.102","0.002","3619.1","0.3","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","[SnF(CH2C6H5){(C(SiMe3)2SiMe2CH2CH2SiMe2C(SiMe3)2}]","","","- C27 H59 F4 Si6 Sn -","- C27 H57.284 F Si6 Sn -","- C108 H229.136 F4 Si24 Sn4 -","4","2","","Asadi, Ashrafolmolouk; Avent, Anthony G.; Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Meehan, Margaret M.; Smith, J. David","Reactions of a Highly Crowded Triorganotin Iodide with Silver Salts. Migration of a Methyl Group from Silicon to Tin within a Cation","Organometallics","2002","21","11","2183","","10.1021/om011079z","","x-ray","0.71073","MoKα","","0.0853","0.0503","","","0.096","0.1087","","","","","","1.022","","","","has coordinates,has disorder","178656","2020-10-21","18:00:00","" "4076759","36.93","0.002","9.1769","0.0003","22.9057","0.0013","90","","124.694","0.002","90","","6382.6","0.6","173","2","173","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","[Sn(Me)(OH){(Me3Si)2CSi(Me)2CH2CH2Si(Me)2C(SiMe3)2}]","","","- C21 H56 O Si6 Sn -","- C21 H49.0325 O Si6 Sn -","- C168 H392.26 O8 Si48 Sn8 -","8","1","","Asadi, Ashrafolmolouk; Avent, Anthony G.; Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Meehan, Margaret M.; Smith, J. David","Reactions of a Highly Crowded Triorganotin Iodide with Silver Salts. Migration of a Methyl Group from Silicon to Tin within a Cation","Organometallics","2002","21","11","2183","","10.1021/om011079z","","x-ray","0.71073","MoKα","","0.06","0.0463","","","0.1015","0.1077","","","","","","1.063","","","","has coordinates,has disorder","178656","2020-10-21","18:00:00","" "4076760","13.0809","0.001","16.378","0.0007","17.1546","0.0013","90","","107.052","0.003","90","","3513.6","0.4","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","[SnMe2{(Me3Si)2CSiMe2CH2CH2SiMe2C(SiMe3)(SiMe2OSO2CF3}]","","","- C22 H55 F3 O3 S Si6 Sn -","- C22 H55 F3 O3 S Si6 Sn -","- C88 H220 F12 O12 S4 Si24 Sn4 -","4","1","","Asadi, Ashrafolmolouk; Avent, Anthony G.; Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Meehan, Margaret M.; Smith, J. David","Reactions of a Highly Crowded Triorganotin Iodide with Silver Salts. Migration of a Methyl Group from Silicon to Tin within a Cation","Organometallics","2002","21","11","2183","","10.1021/om011079z","","x-ray","0.71073","MoKα","","0.0811","0.0531","","","0.1208","0.1331","","","","","","1.033","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076761","10.3023","0.0004","9.0227","0.0006","20.3428","0.0012","90","","91.934","0.004","90","","1889.88","0.18","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","[Ph2SiOSO2CF3]","","","- C19 H15 F3 O3 S Si -","- C19 H15 F3 O3 S Si -","- C76 H60 F12 O12 S4 Si4 -","4","1","","Asadi, Ashrafolmolouk; Avent, Anthony G.; Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Meehan, Margaret M.; Smith, J. David","Reactions of a Highly Crowded Triorganotin Iodide with Silver Salts. Migration of a Methyl Group from Silicon to Tin within a Cation","Organometallics","2002","21","11","2183","","10.1021/om011079z","","x-ray","0.71073","MoKα","","0.0622","0.0415","","","0.0928","0.1022","","","","","","1.031","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076762","11.959","0.0017","16.271","0.003","21.31","0.003","90","","90","","90","","4146.6","1.1","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H58 O6 Ti2 -","- C44 H58 O6 Ti2 -","- C176 H232 O24 Ti8 -","4","0.5","","Knjazhanski, Sergei Ya.; Cadenas, Gregorio; García, Maricela; Pérez, Catalina M.; Nifant'ev, Ilya E.; Kashulin, Igor A.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.","(Fluorenyl)titanium Triisopropoxide and Bis(fluorenyl)titanium Diisopropoxide: A Facile Synthesis, Molecular Structure, and Catalytic Activity in Styrene Polymerization","Organometallics","2002","21","15","3094","","10.1021/om011080y","","","0.71073","MoKα","","0.0808","0.06","","","0.1467","0.1618","","","","","","1.107","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076763","9.498","0.002","12.95","0.003","17.303","0.005","90","","93.04","0.03","90","","2125.3","0.9","223","","223","","","","","","","","see paper","4","P 1 21/n 1","-P 2yn","14","compound 3","(triphenylphosphonio)methanide-3,5-dimethylborabenzene","","- C26 H26 B P -","- C26 H26 B P -","- C104 H104 B4 P4 -","4","1","","Zheng, Xiaolai; Wang, Bing; Herberich, Gerhard E.","Borabenzene Adducts of Ylidic Lewis Bases. Syntheses and Structures of 3,5-Me2C5H3BCH2PPh3, 3,5-Me2C5H3BCH(SiMe3)PPh3, and C5H5BN(Ph)PPh31","Organometallics","2002","21","9","1949","","10.1021/om011081q","","","0.71073","Mo-Kα","","0.1951","0.0623","","","0.0856","0.1053","","","","","","0.704","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076764","9.141","0.002","10.733","0.001","14.701","0.002","84.888","0.008","82.61","0.01","81.4","0.01","1410.7","0.4","180","","180","","","","","","","","see paper","5","P -1","-P 1","2","compound 5","(trimethylsilyl)(triphenylphosphonio)methanide- 3,5-dimethylborabenzene","","- C32.5 H38 B P Si -","- C32.5 H38 B P Si -","- C65 H76 B2 P2 Si2 -","2","1","","Zheng, Xiaolai; Wang, Bing; Herberich, Gerhard E.","Borabenzene Adducts of Ylidic Lewis Bases. Syntheses and Structures of 3,5-Me2C5H3BCH2PPh3, 3,5-Me2C5H3BCH(SiMe3)PPh3, and C5H5BN(Ph)PPh31","Organometallics","2002","21","9","1949","","10.1021/om011081q","","","1.54184","Cu-Kα","","0.0666","0.0505","","","0.1214","0.1284","","","","","","1.038","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25","" "4076765","9.217","0.002","12.037","0.005","12.448","0.003","81.27","0.02","83.57","0.02","74.77","0.02","1313.3","0.7","150","","150","","","","","","","","see paper","5","P -1","-P 1","2","compound 9","N-(triphenylphosphonio)anilide-borabenzene","","- C32.5 H29 B N P -","- C32.5 H29 B N P -","- C65 H58 B2 N2 P2 -","2","1","","Zheng, Xiaolai; Wang, Bing; Herberich, Gerhard E.","Borabenzene Adducts of Ylidic Lewis Bases. Syntheses and Structures of 3,5-Me2C5H3BCH2PPh3, 3,5-Me2C5H3BCH(SiMe3)PPh3, and C5H5BN(Ph)PPh31","Organometallics","2002","21","9","1949","","10.1021/om011081q","","","1.54184","Cu-Kα","","0.0765","0.0573","","","0.1402","0.1488","","","","","","1.06","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25","" "4076766","12.706","0.005","13.574","0.007","11.86","0.008","113.1","0.04","101.03","0.05","96.88","0.05","1803.2","1.9","170.2","","170.2","","","","","","","","","5","P -1","-P 1","2","","","","- C41.5 H21 B F15 N -","- C41.5 H17 B F15 N -","- C83 H34 B2 F30 N2 -","2","1","","Blackwell, James M.; Piers, Warren E.; Parvez, Masood; McDonald, Robert","Solution and Solid-State Characteristics of Imine Adducts with Tris(pentafluorophenyl)borane","Organometallics","2002","21","7","1400","","10.1021/om011086n","","","0.7107","MoKα","","0.0403","0.0403","","0.0397","0.0397","","","","1.403","1.403","1.403","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076767","22.0355","0.0016","15.8326","0.0011","20.3764","0.0014","90","","115.582","0.0013","90","","6412","0.8","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H19 B F15 N -","- C36.5 H19 B F15 N -","- C292 H152 B8 F120 N8 -","8","2","","Blackwell, James M.; Piers, Warren E.; Parvez, Masood; McDonald, Robert","Solution and Solid-State Characteristics of Imine Adducts with Tris(pentafluorophenyl)borane","Organometallics","2002","21","7","1400","","10.1021/om011086n","","","0.71073","MoKα","","0.2188","0.0765","","","0.109","0.1457","","","","","","0.939","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076768","9.612","0.0003","11.4664","0.0004","13.4295","0.0004","79.983","0.002","88.101","0.002","81.8331","0.0011","1442.73","0.08","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H15 B F15 N -","- C33 H15 B F15 N -","- C66 H30 B2 F30 N2 -","2","1","","Blackwell, James M.; Piers, Warren E.; Parvez, Masood; McDonald, Robert","Solution and Solid-State Characteristics of Imine Adducts with Tris(pentafluorophenyl)borane","Organometallics","2002","21","7","1400","","10.1021/om011086n","","","0.71073","MoKα","","0.0679","0.046","","","0.1181","0.1326","","","","","","1.022","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076769","14.144","0.004","13.679","0.004","15.863","0.005","90","","115.267","0.006","90","","2775.5","1.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H13 B F15 N -","- C32 H13 B F15 N -","- C128 H52 B4 F60 N4 -","4","1","","Blackwell, James M.; Piers, Warren E.; Parvez, Masood; McDonald, Robert","Solution and Solid-State Characteristics of Imine Adducts with Tris(pentafluorophenyl)borane","Organometallics","2002","21","7","1400","","10.1021/om011086n","","","0.71073","MoKα","","0.0708","0.0371","","","0.0776","0.087","","","","","","0.904","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076770","9.983","0.002","17.673","0.004","8.184","0.002","101.71","0.02","104.6","0.02","86.36","0.02","1368.1","0.6","170.2","","170.2","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H11 B F15 N -","- C31 H11 B F15 N -","- C62 H22 B2 F30 N2 -","2","1","","Blackwell, James M.; Piers, Warren E.; Parvez, Masood; McDonald, Robert","Solution and Solid-State Characteristics of Imine Adducts with Tris(pentafluorophenyl)borane","Organometallics","2002","21","7","1400","","10.1021/om011086n","","","0.7107","MoKα","","0.0403","0.0403","","0.0409","0.0409","","","","2.793","2.793","2.793","","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076771","16.5297","0.0015","9.8869","0.0009","18.07","0.0016","90","","104.153","0.0017","90","","2863.5","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H19 B F15 N -","- C31 H19 B F15 N -","- C124 H76 B4 F60 N4 -","4","1","","Blackwell, James M.; Piers, Warren E.; Parvez, Masood; McDonald, Robert","Solution and Solid-State Characteristics of Imine Adducts with Tris(pentafluorophenyl)borane","Organometallics","2002","21","7","1400","","10.1021/om011086n","","","0.71073","MoKα","","0.0434","0.034","","","0.0852","0.0908","","","","","","1.031","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076772","12.42","0.003","17.719","0.004","11.283","0.002","90","","114.84","0.03","90","","2253.3","1","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H68 Au2 Cl2 P2 -","- C43 H66 Au2 Cl2 P2 -","- C86 H132 Au4 Cl4 P4 -","2","0.5","","Lu, Wei; Xiang, Hai-Feng; Zhu, Nianyong; Che, Chi-Ming","The3(ππ*) Emission of Cy3PAu(C⋮C)nAuPCy3(n= 3, 4). Effect of Chain Length upon Acetylenic3(ππ*) Emission","Organometallics","2002","21","11","2343","","10.1021/om011087f","","","0.71073","MoKα","","0.0628","0.0493","","","0.1239","0.1311","","","","","","0.946","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076773","6.5785","0.0004","15.0383","0.0012","16.4637","0.0014","90","","98.633","0.009","90","","1610.3","0.2","293","1","293","1","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 Cl2 N2 Si Ti -","- C12 H22 Cl2 N2 Si Ti -","- C48 H88 Cl8 N8 Si4 Ti4 -","4","1","","Jiménez, Gerardo; Royo, Pascual; Cuenca, Tomás; Herdtweck, Eberhardt","Cyclopentadienyl-Amido Ligands with a Pendant “−NHR” Amino Functionality in Titanium Chemistry. Molecular Structure of [Ti{η5-C5H4SiMe2-η-N(CH2)2-η-NHCHMe2}Cl2]","Organometallics","2002","21","11","2189","","10.1021/om0110890","","","0.71073","MoKα","","0.0351","0.0239","","","0.0579","0.0602","","","","","","0.946","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076774","10.99","0.003","14.709","0.005","9.685","0.003","93.816","0.012","112.652","0.006","77.36","0.02","1409.5","0.8","183","","183","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 O6 Ru3 Si -","- C27 H27 O6 Ru3 Si -","- C54 H54 O12 Ru6 Si2 -","2","1","","Matsubara, Kouki; Ryu, Kazuhiro; Maki, Tomoyuki; Iura, Takafumi; Nagashima, Hideo","Oxidative Addition of H−SiR3to Di- and Triruthenium Carbonyl Complexes Bearing a Bridging Azulene Ligand: Isolation of New Silylruthenium Complexes and Catalytic Hydrosilylation of Ketones","Organometallics","2002","21","14","3023","","10.1021/om0200050","","","0.71069","MoKα","","0.092","0.0676","","","0.1588","0.1791","","","","","","1.019","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076775","16.701","0.004","20.811","0.015","9.5303","0.0019","90","","90","","90","","3312","3","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H38 O4 Ru2 Si2 -","- C33 H38 O4 Ru2 Si2 -","- C132 H152 O16 Ru8 Si8 -","4","1","","Matsubara, Kouki; Ryu, Kazuhiro; Maki, Tomoyuki; Iura, Takafumi; Nagashima, Hideo","Oxidative Addition of H−SiR3to Di- and Triruthenium Carbonyl Complexes Bearing a Bridging Azulene Ligand: Isolation of New Silylruthenium Complexes and Catalytic Hydrosilylation of Ketones","Organometallics","2002","21","14","3023","","10.1021/om0200050","","","0.71069","MoKα","","0.1329","0.0588","","","0.0966","0.1152","","","","","","1.028","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076776","8.6242","0.0004","10.2424","0.0004","29.6826","0.0013","90","","90","","90","","2621.9","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Mn O3 -","- C16 H9 Mn O3 -","- C128 H72 Mn8 O24 -","8","2","","Decken, Andreas; MacKay, Andrew J.; Brown, Martin J.; Bottomley, Frank","Synthesis, Characterization, and Thermochemistry of (η1-C13H9)Mn(CO)5and (η5-C13H9)Mn(CO)3","Organometallics","2002","21","9","2006","","10.1021/om020013g","","","0.71073","MoKα","","0.0415","0.029","","","0.0578","0.06","","","","","","0.919","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076777","9.2617","0.0004","25.2882","0.0011","6.8122","0.0003","90","","98.744","0.001","90","","1576.95","0.12","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 Mn O5 -","- C18 H9 Mn O5 -","- C72 H36 Mn4 O20 -","4","1","","Decken, Andreas; MacKay, Andrew J.; Brown, Martin J.; Bottomley, Frank","Synthesis, Characterization, and Thermochemistry of (η1-C13H9)Mn(CO)5and (η5-C13H9)Mn(CO)3","Organometallics","2002","21","9","2006","","10.1021/om020013g","","","0.71073","MoKα","","0.0822","0.0379","","","0.0805","0.0869","","","","","","0.803","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076778","11.147","0.001","20.878","0.002","18.418","0.002","90","","102.158","0.002","90","","4190.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H69 In N6 Ti -","- C39 H69 In N6 Ti -","- C156 H276 In4 N24 Ti4 -","4","1","","Patton, Jasson T.; Bokota, Marilyn M.; Abboud, Khalil A.","Indium-Bridged Chelating Diamide Group IV Metal Olefin Polymerization Catalysts","Organometallics","2002","21","10","2145","","10.1021/om020021x","","","0.71073","MoKα","","0.0556","0.0359","","","0.0728","0.0792","","","","","","0.937","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076779","9.4828","0.0006","11.4576","0.0007","17.958","0.001","105.334","0.001","99.087","0.001","103.358","0.001","1780.19","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H59 In N4 -","- C35 H59 In N4 -","- C70 H118 In2 N8 -","2","1","","Patton, Jasson T.; Bokota, Marilyn M.; Abboud, Khalil A.","Indium-Bridged Chelating Diamide Group IV Metal Olefin Polymerization Catalysts","Organometallics","2002","21","10","2145","","10.1021/om020021x","","","0.71073","MoKα","","0.0336","0.0296","","","0.0752","0.0786","","","","","","1.029","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076780","9.737","0.002","10.339","0.002","13.086","0.003","91.72","0.03","104.85","0.03","113.69","0.03","1152.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H20 B10 Fe2 O3 Se2 -","- C30 H40 B20 Fe4 O6 Se4 -","- C30 H40 B20 Fe4 O6 Se4 -","1","0.5","","Lu, Shixiang; Jin, Guo-Xin; Eibl, Stefan; Herberhold, Max; Xin, Yan","Dinuclear Half-Sandwich Complexes Containing Bridging 1,2-Dicarba-closo-dodecaborane-1,2-dichalcogenolato Ligands. Molecular Structures of Cp2Fe2(CO)3[μ-Se2C2(B10H10)], Cp2Ru2[μ-S2C2(B10H10)]2, and Cp*2Ru2(μ-Se)[μ-Se2C2(B10H10)]","Organometallics","2002","21","12","2533","","10.1021/om020022p","","","0.71073","MoKα","","0.0924","0.0436","","0.0927","0.0828","","","","0.781","0.95","0.95","","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076781","17.894","0.004","14.026","0.003","14.276","0.003","90","","108.11","0.03","90","","3405.5","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H38 B20 O Ru2 S4 -","- C18 H38 B20 O Ru2 S4 -","- C72 H152 B80 O4 Ru8 S16 -","4","0.5","","Lu, Shixiang; Jin, Guo-Xin; Eibl, Stefan; Herberhold, Max; Xin, Yan","Dinuclear Half-Sandwich Complexes Containing Bridging 1,2-Dicarba-closo-dodecaborane-1,2-dichalcogenolato Ligands. Molecular Structures of Cp2Fe2(CO)3[μ-Se2C2(B10H10)], Cp2Ru2[μ-S2C2(B10H10)]2, and Cp*2Ru2(μ-Se)[μ-Se2C2(B10H10)]","Organometallics","2002","21","12","2533","","10.1021/om020022p","","","0.71073","MoKα","","0.0548","0.0412","","0.1245","0.1175","","","","0.882","0.95","0.95","","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076782","17.406","0.004","11.362","0.002","17.428","0.004","90","","117.02","0.01","90","","3070.5","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H40 B10 Ru2 Se3 -","- C22 H40 B10 Ru2 Se3 -","- C88 H160 B40 Ru8 Se12 -","4","1","","Lu, Shixiang; Jin, Guo-Xin; Eibl, Stefan; Herberhold, Max; Xin, Yan","Dinuclear Half-Sandwich Complexes Containing Bridging 1,2-Dicarba-closo-dodecaborane-1,2-dichalcogenolato Ligands. Molecular Structures of Cp2Fe2(CO)3[μ-Se2C2(B10H10)], Cp2Ru2[μ-S2C2(B10H10)]2, and Cp*2Ru2(μ-Se)[μ-Se2C2(B10H10)]","Organometallics","2002","21","12","2533","","10.1021/om020022p","","","0.71073","MoKα","","0.0662","0.0359","","0.0754","0.0705","","","","0.85","1.007","1.007","","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076783","9.184","0.003","26.208","0.009","9.354","0.003","90","","112.43","0.02","90","","2081.1","1.2","150","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H32 O2 Si2 W -","- C18 H32 O2 Si2 W -","- C72 H128 O8 Si8 W4 -","4","1","","Ueno, Keiji; Asami, Satsuki; Watanabe, Nobuhiko; Ogino, Hiroshi","Synthesis of Self-Stabilized and Donor-Free Silyl(silylene)tungsten Complexes","Organometallics","2002","21","7","1326","","10.1021/om020023h","","","0.71073","MoKα","","0.0756","0.0578","","","0.1524","0.1669","","","","","","1.029","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076784","11.3632","0.0006","19.1125","0.0009","15.1675","0.0007","90","","101.969","0.0017","90","","3222.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H46 O2 Si2 W -","- C33 H46 O2 Si2 W -","- C132 H184 O8 Si8 W4 -","4","1","","Ueno, Keiji; Asami, Satsuki; Watanabe, Nobuhiko; Ogino, Hiroshi","Synthesis of Self-Stabilized and Donor-Free Silyl(silylene)tungsten Complexes","Organometallics","2002","21","7","1326","","10.1021/om020023h","","","0.71073","MoKα","","0.0444","0.0353","","","0.0897","0.0947","","","","","","1.23","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076785","9.271","0.003","28.522","0.009","17.394","0.005","90","","96.41","0.02","90","","4571","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","nonacarbonyltri-μ-hydrido-μ~3~-hydrido(triphenylphosphine) [(triphenylphosphine)silver]trirhenium","","- C45 H34 Ag O9 P2 Re3 -","- C45 H34 Ag O9 P2 Re3 -","- C180 H136 Ag4 O36 P8 Re12 -","4","1","","Beringhelli, Tiziana; D'Alfonso, Giuseppe; Garavaglia, Maria Grazia; Panigati, Monica; Mercandelli, Pierluigi; Sironi, Angelo","Synthesis, Solid-State Structure and Solution Behavior of Hydrido-Bridged Adducts between the Group 11 [M(PPh3)]+Cations and the Triangular Cluster Anion [Re3(μ-H)4(CO)9(PPh3)]-","Organometallics","2002","21","13","2705","","10.1021/om0200252","","","0.71073","MoKα","","0.0462","0.0304","","","0.0632","0.0678","","","","","","1.089","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076786","13.71","0.003","18.183","0.005","18.528","0.005","90","","90","","90","","4619","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","nonacarbonyltri-μ-hydrido-μ~3~-hydrido(triphenylphosphine) [(triphenylphosphine)gold]trirhenium","","- C45 H34 Au O9 P2 Re3 -","- C45 H34 Au O9 P2 Re3 -","- C180 H136 Au4 O36 P8 Re12 -","4","1","","Beringhelli, Tiziana; D'Alfonso, Giuseppe; Garavaglia, Maria Grazia; Panigati, Monica; Mercandelli, Pierluigi; Sironi, Angelo","Synthesis, Solid-State Structure and Solution Behavior of Hydrido-Bridged Adducts between the Group 11 [M(PPh3)]+Cations and the Triangular Cluster Anion [Re3(μ-H)4(CO)9(PPh3)]-","Organometallics","2002","21","13","2705","","10.1021/om0200252","","","0.71073","MoKα","","0.0249","0.0216","","","0.05","0.0514","","","","","","1.075","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076787","9.317","0.005","28.035","0.009","17.556","0.007","90","","96.91","0.04","90","","4552","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","nonacarbonyltri-μ-hydrido-μ~3~-hydrido(triphenylphosphine) [(triphenylphosphine)copper]trirhenium","","- C45 H34 Cu O9 P2 Re3 -","- C45 H34 Cu O9 P2 Re3 -","- C180 H136 Cu4 O36 P8 Re12 -","4","1","","Beringhelli, Tiziana; D'Alfonso, Giuseppe; Garavaglia, Maria Grazia; Panigati, Monica; Mercandelli, Pierluigi; Sironi, Angelo","Synthesis, Solid-State Structure and Solution Behavior of Hydrido-Bridged Adducts between the Group 11 [M(PPh3)]+Cations and the Triangular Cluster Anion [Re3(μ-H)4(CO)9(PPh3)]-","Organometallics","2002","21","13","2705","","10.1021/om0200252","","","0.71073","MoKα","","0.0379","0.0285","","","0.0665","0.0685","","","","","","1.134","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076788","13.659","0.003","18.135","0.005","18.529","0.005","90","","90","","90","","4590","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","nonacarbonyltri-μ-hydrido-μ~3~-hydrido(triphenylphosphine) [(triphenylphosphine)silver]trirhenium","","- C45 H34 Cu O9 P2 Re3 -","- C45 H34 Cu O9 P2 Re3 -","- C180 H136 Cu4 O36 P8 Re12 -","4","1","","Beringhelli, Tiziana; D'Alfonso, Giuseppe; Garavaglia, Maria Grazia; Panigati, Monica; Mercandelli, Pierluigi; Sironi, Angelo","Synthesis, Solid-State Structure and Solution Behavior of Hydrido-Bridged Adducts between the Group 11 [M(PPh3)]+Cations and the Triangular Cluster Anion [Re3(μ-H)4(CO)9(PPh3)]-","Organometallics","2002","21","13","2705","","10.1021/om0200252","","","0.71073","MoKα","","0.0503","0.0315","","","0.0603","0.0664","","","","","","1.048","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076789","10.0593","0.0005","12.5617","0.0007","14.5614","0.0008","110.711","0.001","95.077","0.001","112.026","0.001","1542.73","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H5 Co Mn2 O6 S2 -","- C11 H5 Co Mn2 O6 S2 -","- C44 H20 Co4 Mn8 O24 S8 -","4","2","","Adams, Richard D.; Kwon, O-Sung; Smith, Mark D.","Insertion of Cyclopentadienylmetal Groups into the S−S Bond of Mn2(CO)7(μ-S2)","Organometallics","2002","21","9","1960","","10.1021/om020028e","","","0.71073","MoKα","","0.0439","0.0325","","","0.055","0.0563","","","","","","0.989","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076790","9.0984","0.0005","13.5527","0.0007","17.7743","0.0009","92.723","0.001","94.411","0.001","102.352","0.001","2130.03","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Mn2 O6 Rh S2 -","- C16 H15 Mn2 O6 Rh S2 -","- C64 H60 Mn8 O24 Rh4 S8 -","4","2","","Adams, Richard D.; Kwon, O-Sung; Smith, Mark D.","Insertion of Cyclopentadienylmetal Groups into the S−S Bond of Mn2(CO)7(μ-S2)","Organometallics","2002","21","9","1960","","10.1021/om020028e","","","0.71073","MoKα","","0.0582","0.0372","","","0.0692","0.0751","","","","","","0.93","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076791","10.7639","0.0007","25.0939","0.0016","11.6335","0.0008","90","","112.381","0.001","90","","2905.6","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Co Mn2 O5 P S2 -","- C28 H20 Co Mn2 O5 P S2 -","- C112 H80 Co4 Mn8 O20 P4 S8 -","4","1","","Adams, Richard D.; Kwon, O-Sung; Smith, Mark D.","Insertion of Cyclopentadienylmetal Groups into the S−S Bond of Mn2(CO)7(μ-S2)","Organometallics","2002","21","9","1960","","10.1021/om020028e","","","0.71073","MoKα","","0.0519","0.0373","","","0.084","0.0895","","","","","","1","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076792","10.6883","0.001","13.5221","0.0012","17.504","0.0016","90","","100.924","0.002","90","","2484","0.4","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Mn2 O6 P S2 -","- C24 H15 Mn2 O6 P S2 -","- C96 H60 Mn8 O24 P4 S8 -","4","1","","Adams, Richard D.; Kwon, O-Sung; Smith, Mark D.","Insertion of Cyclopentadienylmetal Groups into the S−S Bond of Mn2(CO)7(μ-S2)","Organometallics","2002","21","9","1960","","10.1021/om020028e","","","0.71073","MoKα","","0.0381","0.0317","","","0.0747","0.0767","","","","","","0.996","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076793","12.822","0.002","15.606","0.002","16.845","0.002","102.77","0.02","98.72","0.02","105.16","0.02","3093.4","0.9","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H50 F10 P4 Pt3 -","- C72 H50 F10 P4 Pt3 -","- C144 H100 F20 P8 Pt6 -","2","1","","Falvello, Larry R.; Forniés, Juan; Fortuño, Consuelo; Durán, Fernando; Martín, Antonio","Synthesis of Mixed-Valence Platinum Triangulo Clusters [Pt3(μ-PPh2)2(μ-C6F5)(C6F5)(PPh2R)2] (R = Ph, Me, Et). Crystal Structures of [Pt3(μ-PPh2)2(μ-C6F5)(C6F5)(PPh3)2] and [Pt3(μ-AgOClO3)(μ-PPh2)2(μ-C6F5)(C6F5)(PPh3)2]†","Organometallics","2002","21","11","2226","","10.1021/om020036v","","","0.71073","MoKα","","0.0765","0.0403","","0.0901","0.0766","","","","1.014","1.018","1.018","","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076794","11.4288","0.0007","14.1307","0.0006","22.4596","0.0012","93.525","0.007","90.552","0.016","94.159","0.01","3610.4","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H54 Ag Cl5 F10 O4 P4 Pt3 -","- C74 H54 Ag Cl5 F10 O4 P4 Pt3 -","- C148 H108 Ag2 Cl10 F20 O8 P8 Pt6 -","2","1","","Falvello, Larry R.; Forniés, Juan; Fortuño, Consuelo; Durán, Fernando; Martín, Antonio","Synthesis of Mixed-Valence Platinum Triangulo Clusters [Pt3(μ-PPh2)2(μ-C6F5)(C6F5)(PPh2R)2] (R = Ph, Me, Et). Crystal Structures of [Pt3(μ-PPh2)2(μ-C6F5)(C6F5)(PPh3)2] and [Pt3(μ-AgOClO3)(μ-PPh2)2(μ-C6F5)(C6F5)(PPh3)2]†","Organometallics","2002","21","11","2226","","10.1021/om020036v","","","0.71073","MoKα","","0.0485","0.034","","","0.0898","0.0964","","","","","","1.031","","","","has coordinates,has disorder","178656","2020-10-21","18:00:00","" "4076795","12.984","0.003","13.429","0.003","22.122","0.004","107.39","0.03","90.99","0.03","103.08","0.03","3570.4","1.6","293","2","298","2","","","","","","","","7","P -1","-P 1","2","Os3(CO)7(PPh3)(PhCH2NC)2(C60)","Os3(CO)7(PPh3)(PhCH2NC)2(mu3-eta1,eta1,eta2-C60) (2)","","- C107 H33 Cl2 N2 O7 Os3 P -","- C107 H33 Cl2 N2 O7 Os3 P -","- C214 H66 Cl4 N4 O14 Os6 P2 -","2","1","","Song, Hyunjoon; Lee, Kwangyeol; Choi, Moon-Gun; Park, Joon T.","[60]Fullerene as a Versatile Four-Electron Donor Ligand","Organometallics","2002","21","9","1756","","10.1021/om020038f","","","0.71073","MoKα","","0.0496","0.0413","","","0.096","0.0995","","","","","","1.073","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076796","13.647","0.003","17.28","0.004","19.431","0.004","98.455","0.004","106.604","0.004","112.325","0.004","3889.5","1.5","293","2","233","2","","","","","","","","6","P -1","-P 1","2","Os3(CO)6(PPh3)(PPh2)(PhCH2NC)(C6H4CH2NC)(C60)","Os3(CO)6(PPh3)(PPh2)(PhCH2NC)(C6H4CH2NC)(mu-eta2,eta2-C60) (3)","","- C112 H38 N2 O6 Os3 P2 -","- C112 H38 N2 O6 Os3 P2 -","- C224 H76 N4 O12 Os6 P4 -","2","1","","Song, Hyunjoon; Lee, Kwangyeol; Choi, Moon-Gun; Park, Joon T.","[60]Fullerene as a Versatile Four-Electron Donor Ligand","Organometallics","2002","21","9","1756","","10.1021/om020038f","","","0.71073","MoKα","","0.1092","0.0648","","","0.1709","0.1957","","","","","","1.027","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076797","14.685","0.003","13.935","0.003","29.747","0.005","90","","103.297","0.003","90","","5924","2","293","2","233","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Os3(CO)7(PMe3)(PhCH2NC)2(C60)","Os3(CO)7(PMe3)(PhCH2NC)2(mu3-eta1,eta2,eta1-C60) (4)","","- C87 H23 N2 O7 Os3 P S2 -","- C87 H23 N2 O7 Os3 P S2 -","- C348 H92 N8 O28 Os12 P4 S8 -","4","1","","Song, Hyunjoon; Lee, Kwangyeol; Choi, Moon-Gun; Park, Joon T.","[60]Fullerene as a Versatile Four-Electron Donor Ligand","Organometallics","2002","21","9","1756","","10.1021/om020038f","","","0.71073","MoKα","","0.1037","0.0762","","","0.1679","0.1857","","","","","","1.095","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076798","9.5915","0.0002","11.3455","0.0002","19.6442","0.0003","83.581","0.001","86.521","0.001","84.31","0.001","2111.16","0.07","100","","100","","","","","","","","see paper","5","P -1","-P 1","2","","","","- C48 H56 N Si2 Y -","- C48 H56 N Si2 Y -","- C96 H112 N2 Si4 Y2 -","2","1","","Dash, Aswini K.; Razavi, Abbas; Mortreux, André; Lehmann, Christian W.; Carpentier, Jean-François","Amine Elimination Reactions between Homoleptic Silylamide Lanthanide Complexes and an Isopropylidene-Bridged Cyclopentadiene−Fluorene System","Organometallics","2002","21","15","3238","","10.1021/om0200398","","","0.71073","MoKα","","0.075","0.05","","","0.1241","0.1512","","","","","","1.145","","","","has coordinates","178656","2020-10-21","18:00:00","" "4076799","19.0242","0.0007","16.7576","0.0006","13.3536","0.0005","90","","90.774","0.001","90","","4256.7","0.3","100","","100","","","","","","","","see paper","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H57 La O2.5 -","- C52 H57 La O2.5 -","- C208 H228 La4 O10 -","4","1","","Dash, Aswini K.; Razavi, Abbas; Mortreux, André; Lehmann, Christian W.; Carpentier, Jean-François","Amine Elimination Reactions between Homoleptic Silylamide Lanthanide Complexes and an Isopropylidene-Bridged Cyclopentadiene−Fluorene System","Organometallics","2002","21","15","3238","","10.1021/om0200398","","","0.71073","MoKα","","0.1181","0.0769","","","0.1912","0.2177","","","","","","1.055","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076800","9.7148","0.0011","20.524","0.002","17.1837","0.0019","90","","90.014","0.004","90","","3426.2","0.6","100","","100","","","","","","","","see paper","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 La O -","- C46 H46 La O -","- C184 H184 La4 O4 -","4","1","","Dash, Aswini K.; Razavi, Abbas; Mortreux, André; Lehmann, Christian W.; Carpentier, Jean-François","Amine Elimination Reactions between Homoleptic Silylamide Lanthanide Complexes and an Isopropylidene-Bridged Cyclopentadiene−Fluorene System","Organometallics","2002","21","15","3238","","10.1021/om0200398","","","0.71073","MoKα","","0.1373","0.0879","","","0.2155","0.2461","","","","","","1.026","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076801","13.428","0.0005","16.6206","0.0006","18.9798","0.0006","90","","91.022","0.001","90","","4235.3","0.3","100","","100","","","","","","","","see paper","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H61 Nd O3 -","- C53.96 H61.03 Nd O2.99 -","- C215.84 H244.12 Nd4 O11.96 -","4","1","","Dash, Aswini K.; Razavi, Abbas; Mortreux, André; Lehmann, Christian W.; Carpentier, Jean-François","Amine Elimination Reactions between Homoleptic Silylamide Lanthanide Complexes and an Isopropylidene-Bridged Cyclopentadiene−Fluorene System","Organometallics","2002","21","15","3238","","10.1021/om0200398","","","0.71073","MoKα","","0.1181","0.0529","","","0.1055","0.1219","","","","","","1.001","","","","has coordinates,has disorder","178657","2020-10-21","18:00:00","" "4076802","10.6147","0.0004","12.0314","0.0004","20.458","0.0009","90","","99.705","0.002","90","","2575.29","0.17","172","2","172","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pentacarbonyl(eta$2!-methoxyvinyl-gold(I)triphenylphosphine-C,C') chromium(0)","","- C26 H20 Au Cr O6 P -","- C26 H20 Au Cr O6 P -","- C104 H80 Au4 Cr4 O24 P4 -","4","1","","Raubenheimer, Helgard G.; Esterhuysen, Matthias W.; Timoshkin, Alexey; Chen, Yu; Frenking, Gernot","Electrophilic Addition of Ph3PAu+to Anionic Alkoxy Fischer-Type Carbene Complexes: A Novel Approach to Metal-Stabilized Bimetallic Vinyl Ether Complexes","Organometallics","2002","21","15","3173","","10.1021/om020048g","","","0.71073","MoKα","","0.0957","0.0454","","","0.0738","0.0867","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076803","10.698","0.001","12.106","0.001","20.352","0.001","90","","94.423","0.001","90","","2627.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pentacarbonyl(eta$2!-methoxyvinyl-gold(I)triphenylphosphine-C,C') tungsten(0)","","- C26 H20 Au O6 P W -","- C26 H20 Au O6 P W -","- C104 H80 Au4 O24 P4 W4 -","4","1","","Raubenheimer, Helgard G.; Esterhuysen, Matthias W.; Timoshkin, Alexey; Chen, Yu; Frenking, Gernot","Electrophilic Addition of Ph3PAu+to Anionic Alkoxy Fischer-Type Carbene Complexes: A Novel Approach to Metal-Stabilized Bimetallic Vinyl Ether Complexes","Organometallics","2002","21","15","3173","","10.1021/om020048g","","","0.71073","MoKα","","0.0303","0.0219","","","0.0441","0.0461","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076804","8.546","0.001","21.44","0.002","13.931","0.001","90","","99.56","0.01","90","","2517.1","0.4","173","1","173","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","unknown","","- C26 H39 Cl N2 O Ru -","- C26 H39 Cl N2 O Ru -","- C104 H156 Cl4 N8 O4 Ru4 -","4","1","","Baratta, Walter; Herdtweck, Eberhardt; Herrmann, Wolfgang A.; Rigo, Pierluigi; Schwarz, Jürgen","New Ruthenium(II) Complexes Bearing N-Heterocyclic Carbenes","Organometallics","2002","21","10","2101","","10.1021/om020053k","","","0.71073","MoKα","","0.0304","0.0247","","0.0604","","0.0576","","","1.06","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076805","9.7474","0.0001","14.4034","0.0002","16.9057","0.0002","64.8313","0.0005","78.2842","0.0005","72.4545","0.0005","2040.49","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H59 Ir P2 -","- C46 H59 Ir P2 -","- C92 H118 Ir2 P4 -","2","1","","Termaten, Arjan T.; Nijbacker, Tom; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","Synthesis of Novel Terminal Iridium Phosphinidene Complexes","Organometallics","2002","21","15","3196","","10.1021/om020062t","","","0.71073","MoKα","","0.0219","0.02","","","0.0475","0.0484","","","","","","1.061","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076806","18.0642","0.0001","14.7379","0.0001","10.5269","0.0001","90","","90","","90","","2802.56","0.04","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H44 Ir O P -","- C29 H44 Ir O P -","- C116 H176 Ir4 O4 P4 -","4","0.5","","Termaten, Arjan T.; Nijbacker, Tom; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","Synthesis of Novel Terminal Iridium Phosphinidene Complexes","Organometallics","2002","21","15","3196","","10.1021/om020062t","","","0.71073","MoKα","","0.0485","0.0287","","","0.0742","0.0815","","","","","","0.891","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076807","12.668","0.005","26.906","0.01","14.881","0.006","90","","98.648","0.019","90","","5014","3","203","5","203","5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H36 B Cl3 F24 P2 Ru Si -","- C43 H36 B Cl3 F24 P2 Ru Si -","- C172 H144 B4 Cl12 F96 P8 Ru4 Si4 -","4","1","","Freeman, Samuel T. N.; Lemke, Frederick R.; Brammer, Lee","[Cp(PMe3)2Ru(η2-HSiCl3)]+: Structure and Bonding of a Rare Cationic η2-Silane Complex","Organometallics","2002","21","10","2030","","10.1021/om020063l","","","0.71073","MoKα","","0.0743","0.0525","","","0.1284","0.1382","","","","","","1.253","","","","has coordinates,has disorder","178657","2020-10-21","18:00:00","" "4076808","17.3616","0.0019","7.2358","0.0011","18.3164","0.0016","90","0.009","100.044","0.008","90","0.011","2265.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 Fe2 Mo O7 Se2 -","- C20 H10 Fe2 Mo O7 Se2 -","- C80 H40 Fe8 Mo4 O28 Se8 -","4","1","","Mathur, Pradeep; Bhunia, Anjan K.; Kumar, Arvind; Chatterjee, Saurav; Mobin, Shaikh M.","Synthesis, Structure, and Reactivity of Mixed-Metal Clusters Bearing η1-Acetylide Groups, (η5-C5H5)MFe2(μ3-E)2(CO)6(η1-CCPh) (M = Mo or W and E = Se or Te)","Organometallics","2002","21","11","2215","","10.1021/om020064d","","","0.7093","MoKα","","0.076","0.0603","","","0.1477","0.1643","","","","","","1.089","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076809","9.352","0.0008","17.758","0.0012","16.685","0.0009","90","0.005","100.657","0.005","90","0.006","2723.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H10 Co2 Fe2 Mo O9 Te2 -","- C22 H10 Co2 Fe2 Mo O9 Te2 -","- C88 H40 Co8 Fe8 Mo4 O36 Te8 -","4","1","","Mathur, Pradeep; Bhunia, Anjan K.; Kumar, Arvind; Chatterjee, Saurav; Mobin, Shaikh M.","Synthesis, Structure, and Reactivity of Mixed-Metal Clusters Bearing η1-Acetylide Groups, (η5-C5H5)MFe2(μ3-E)2(CO)6(η1-CCPh) (M = Mo or W and E = Se or Te)","Organometallics","2002","21","11","2215","","10.1021/om020064d","","","0.7093","MoKα","","0.0474","0.0422","","","0.1088","0.1137","","","","","","1.134","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076810","11.9395","0.0011","12.1697","0.0011","16.2833","0.0014","81.17","0.01","72.634","0.01","62.643","0.009","2005.2","0.4","173","1","173","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C36 H34 Cr Fe2 Nb O11 Te2 -","- C36 H34 Cr Fe2 Nb O11 Te2 -","- C72 H68 Cr2 Fe4 Nb2 O22 Te4 -","2","1","","Brandl, Martin; Brunner, Henri; Wachter, Joachim; Zabel, Manfred","Rotational versus Migration Isomerism in [{(tBuC5H4)2NbH(μ3-Te)(μ4-Te)Fe2(CO)6}·Cr(CO)5], a Sterically Crowded Polymetallic Telluride Complex","Organometallics","2002","21","14","3069","","10.1021/om020066y","","","0.71073","MoKα","","0.0397","0.0258","","","0.0559","0.0582","","","","","","0.894","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076811","14.474","0.003","8.64","0.02","28.061","0.006","90","","101.64","0.01","90","","3437","8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 Cl5 Ir N2 Sb2 -","- C23 H42 Cl5 Ir N2 Sb2 -","- C92 H168 Cl20 Ir4 N8 Sb8 -","4","1","","Ortmann, Dagmara A.; Weberndörfer, Birgit; Ilg, Kerstin; Laubender, Matthias; Werner, Helmut","Carbene Iridium(I) and Iridium(III) Complexes Containing the Metal Center in Different Stereochemical Environments†","Organometallics","2002","21","12","2369","","10.1021/om020069a","","","0.71073","MoKα","","0.0967","0.0494","","0.1174","0.0841","","","","1.042","1.028","1.028","","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25","" "4076812","10.353","0.005","12.153","0.004","13.909","0.005","94.04","0.02","93.62","0.02","114.165","0.019","1584.6","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H52 Cl Ir P2 -","- C31 H52 Cl Ir P2 -","- C62 H104 Cl2 Ir2 P4 -","2","1","","Ortmann, Dagmara A.; Weberndörfer, Birgit; Ilg, Kerstin; Laubender, Matthias; Werner, Helmut","Carbene Iridium(I) and Iridium(III) Complexes Containing the Metal Center in Different Stereochemical Environments†","Organometallics","2002","21","12","2369","","10.1021/om020069a","","","0.71073","MoKα","","0.0393","0.0319","","","0.0699","0.0758","","","","","","1.069","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076813","12.6422","0.001","15.2941","0.001","35.961","0.003","90","","92.732","0.01","90","","6945.2","0.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H65 B Cl F24 Ir P2 -","- C63 H65 B Cl F24 Ir P2 -","- C252 H260 B4 Cl4 F96 Ir4 P8 -","4","1","","Ortmann, Dagmara A.; Weberndörfer, Birgit; Ilg, Kerstin; Laubender, Matthias; Werner, Helmut","Carbene Iridium(I) and Iridium(III) Complexes Containing the Metal Center in Different Stereochemical Environments†","Organometallics","2002","21","12","2369","","10.1021/om020069a","","","0.71073","MoKα","","0.0701","0.0471","","","0.1152","0.1259","","","","","","0.925","","","","has coordinates,has disorder","178657","2020-10-21","18:00:00","" "4076814","19.342","0.002","13.269","0.001","11.484","0.001","90","","90","","90","","2947.4","0.5","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 H25 Ga3 -","- C12 H25 Ga3 -","- C96 H200 Ga24 -","8","1","","Uhl, Werner; Cuypers, Lars; Neumüller, Bernhard; Weller, Frank","Hydrogallation of Alkynes: Syntheses of Carbon−Gallium Cages Possessing Heteroadamantane Structures","Organometallics","2002","21","12","2365","","10.1021/om020072u","","","0.71073","MoKα","","0.0489","0.0301","","","0.0563","0.0579","","","","","","1.48","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076815","16.1617","0.0008","16.1617","0.0008","14.0998","0.0008","90","","90","","90","","3682.9","0.3","193","2","193","2","","","","","","","","3","P 43","P 4cw","78","","","","- C32 H66 Ga6 -","- C32 H66 Ga6 -","- C128 H264 Ga24 -","4","1","","Uhl, Werner; Cuypers, Lars; Neumüller, Bernhard; Weller, Frank","Hydrogallation of Alkynes: Syntheses of Carbon−Gallium Cages Possessing Heteroadamantane Structures","Organometallics","2002","21","12","2365","","10.1021/om020072u","","","0.71073","MoKα","","0.0308","0.0261","","","0.0533","0.0541","","","","","","1.086","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076816","8.575","0.004","8.8114","0.0017","15.479","0.004","87.09","0.03","77.17","0.03","76.71","0.02","1109.8","0.6","293","2","293","2","","","","","","","Synthesis. Crystallization from CH~2~Cl~2~/THF/pentane at room temperature.","5","P -1","-P 1","2","","","","- C19 H9 N3 O9 Ru3 -","- C19 H9 N3 O9 Ru3 -","- C38 H18 N6 O18 Ru6 -","2","1","","Cabeza, Javier A.; del Río, Ignacio; García-Granda, Santiago; Riera, Víctor; Suárez, Marta","Triruthenium and Triosmium Carbonyl Cluster Complexes Containing Deprotonated Di(2-pyridyl)amine in Unusual Coordination Modes","Organometallics","2002","21","12","2540","","10.1021/om020073m","","","0.71073","MoKα","","0.0356","0.0225","","","0.0551","0.0591","","","","","","1.074","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076817","15.595","0.008","25.075","0.005","12.795","0.011","90","","99.81","0.06","90","","4930","5","293","2","293","2","","","","","","","Suitable crystals were obtained by slow evaporation of a diethyl ether solution of the compound at room temperature","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H9 N3 O10 Os3 -","- C20 H9 N3 O10 Os3 -","- C160 H72 N24 O80 Os24 -","8","2","","Cabeza, Javier A.; del Río, Ignacio; García-Granda, Santiago; Riera, Víctor; Suárez, Marta","Triruthenium and Triosmium Carbonyl Cluster Complexes Containing Deprotonated Di(2-pyridyl)amine in Unusual Coordination Modes","Organometallics","2002","21","12","2540","","10.1021/om020073m","","","0.71073","MoKα","","0.1292","0.0478","","","0.121","0.1454","","","","","","1.009","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076818","9.2263","0.0001","14.5292","0.0002","28.4345","0.0003","90","","93.351","0.0006","90","","3805.15","0.08","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H42 B11 P2 Rh -","- C37 H42 B11 P2 Rh -","- C148 H168 B44 P8 Rh4 -","4","1","","Rifat, Adem; Patmore, Nathan J.; Mahon, Mary F.; Weller, Andrew S.","Rhodium Phosphines Partnered with the Carborane Monoanions [CB11H6Y6]-(Y = H, Br). Synthesis and Evaluation as Alkene Hydrogenation Catalysts","Organometallics","2002","21","14","2856","","10.1021/om020077r","","","0.71069","MoKα","","0.0415","0.0296","","","0.0795","0.0867","","","","","","0.966","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076819","26.957","0.0006","15.029","0.0004","27.897","0.0007","90","","113.284","0.002","90","","10381.6","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C76.78 H77.56 B22 Br12 Cl5.56 P4 Rh2 -","- C76.78 H72 B22 Br12 Cl5.56 P4 Rh2 -","- C307.12 H288 B88 Br48 Cl22.24 P16 Rh8 -","4","0.5","","Rifat, Adem; Patmore, Nathan J.; Mahon, Mary F.; Weller, Andrew S.","Rhodium Phosphines Partnered with the Carborane Monoanions [CB11H6Y6]-(Y = H, Br). Synthesis and Evaluation as Alkene Hydrogenation Catalysts","Organometallics","2002","21","14","2856","","10.1021/om020077r","","","0.71073","MoKα","","0.1249","0.0702","","","0.1246","0.1465","","","","","","1.026","","","","has coordinates,has disorder","178657","2020-10-21","18:00:00","" "4076820","20.572","0.0007","16.362","0.0005","21.557","0.0008","90","","90.699","0.002","90","","7255.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H77 B11 Cl4 P4 Rh2 -","- C74 H77 B11 Cl4 P4 Rh2 -","- C296 H308 B44 Cl16 P16 Rh8 -","4","1","","Rifat, Adem; Patmore, Nathan J.; Mahon, Mary F.; Weller, Andrew S.","Rhodium Phosphines Partnered with the Carborane Monoanions [CB11H6Y6]-(Y = H, Br). Synthesis and Evaluation as Alkene Hydrogenation Catalysts","Organometallics","2002","21","14","2856","","10.1021/om020077r","","","0.71073","MoKα","","0.1886","0.0827","","","0.1358","0.1742","","","","","","1.023","","","","has coordinates,has disorder","178657","2020-10-21","18:00:00","" "4076821","21.576","0.0012","12.9704","0.0007","17.734","0.0008","90","","90","","90","","4962.8","0.4","133","2","133","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C41 H78 Br3 Mg2 N8 Sc -","- C41 H77 Br3 Mg2 N8 Sc -","- C164 H308 Br12 Mg8 N32 Sc4 -","4","0.25","","Neculai, Ana Mirela; Neculai, Dante; Roesky, Herbert W.; Magull, Jörg; Baldus, Marc; Andronesi, Ovidiu; Jansen, Martin","Stabilization of a Diamagnetic ScIBr Molecule in a Sandwich-Like Structure†","Organometallics","2002","21","13","2590","","10.1021/om020090b","","","0.71073","MoKα","","0.0346","0.0315","","","0.0849","0.0867","","","","","","1.107","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076822","11.991","0.003","7.389","0.002","17.162","0.005","90","","100.271","0.007","90","","1496.2","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","2b","Bis[N-(isopropylideneimino)benzimidato-N,O]dibromosilicon(IV)","","- C22 H26 Br2 Cl6 N4 O2 Si -","- C22 H26 Br2 Cl6 N4 O2 Si -","- C44 H52 Br4 Cl12 N8 O4 Si2 -","2","0.5","","Kalikhman, Inna; Gostevskii, Boris; Girshberg, Olga; Krivonos, Sonia; Kost, Daniel","Donor-Stabilized Silyl Cations 4: N-Isopropylidene Hydrazides, Novel Bidentate Ligands for Penta- and Hexacoordinate Silicon Chelates1","Organometallics","2002","21","12","2551","","10.1021/om0200914","","","0.71073","MoKα","","0.0577","0.037","","","0.0861","0.0912","","","","","","0.926","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076823","13.135","0.0017","11.9524","0.0016","17.13","0.002","90","","101.56","0.003","90","","2634.8","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","5","Bis(N-(dimethylamino)benzimidato-N,O)dibromosilicon(IV)","","- C19 H23 Br3 Cl3 N4 O2 Si -","- C19 H24 Br3 Cl3 N4 O2 Si -","- C76 H96 Br12 Cl12 N16 O8 Si4 -","4","1","","Kalikhman, Inna; Gostevskii, Boris; Girshberg, Olga; Krivonos, Sonia; Kost, Daniel","Donor-Stabilized Silyl Cations 4: N-Isopropylidene Hydrazides, Novel Bidentate Ligands for Penta- and Hexacoordinate Silicon Chelates1","Organometallics","2002","21","12","2551","","10.1021/om0200914","","","0.71073","MoKα","","0.0712","0.0474","","","0.1098","0.1163","","","","","","0.941","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076824","10.007","0.005","10.727","0.006","20.578","0.009","75.14","0.02","82.54","0.02","65.72","0.02","1945.5","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","[CpRu(eta1-CPMe3=CPh-eta2-CH=CHPh)(PPh3)]PF6","","","- C42 H41 F6 P3 Ru -","- C42 H41 F6 P3 Ru -","- C84 H82 F12 P6 Ru2 -","2","1","","Rüba, Eva; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl; Bustelo, Emilio; Puerta, M. Carmen; Valerga, Pedro","Reactions of RuCp and RuCp* Allyl Carbene Complexes: Products Derived from Activation of Phenyl, Cyclohexyl, and Methyl C−H Bonds in PPh3, PCy3, and Cp* Ligands","Organometallics","2002","21","14","2912","","10.1021/om020094g","","","0.71073","MoKα","","0.0738","0.0421","","","0.0863","0.0973","","","","","","0.95","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076825","10.007","0.004","17.243","0.006","10.643","0.004","90","","104.21","0.01","90","","1780.3","1.2","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","[CpRu(eta4-CH(C6H9)CHC(C6H9)CH-PPh2(eta1-C6H4))]PF6","","","- C39 H40 F6 P2 Ru -","- C39 H40 F6 P2 Ru -","- C78 H80 F12 P4 Ru2 -","2","1","","Rüba, Eva; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl; Bustelo, Emilio; Puerta, M. Carmen; Valerga, Pedro","Reactions of RuCp and RuCp* Allyl Carbene Complexes: Products Derived from Activation of Phenyl, Cyclohexyl, and Methyl C−H Bonds in PPh3, PCy3, and Cp* Ligands","Organometallics","2002","21","14","2912","","10.1021/om020094g","","","0.71073","MoKα","","0.0502","0.0384","","","0.0912","0.0973","","","","","","1.005","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076826","8.138","0.003","10.724","0.004","14.922","0.006","90","","104.23","0.02","90","","1262.3","0.8","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","[CpRu(eta3-CHCHCH-CH2PPh2-eta2-C6H4)]PF6","","","- C27 H24 F6 P2 Ru -","- C27 H24 F6 P2 Ru -","- C54 H48 F12 P4 Ru2 -","2","1","","Rüba, Eva; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl; Bustelo, Emilio; Puerta, M. Carmen; Valerga, Pedro","Reactions of RuCp and RuCp* Allyl Carbene Complexes: Products Derived from Activation of Phenyl, Cyclohexyl, and Methyl C−H Bonds in PPh3, PCy3, and Cp* Ligands","Organometallics","2002","21","14","2912","","10.1021/om020094g","","","0.71073","MoKα","","0.0416","0.0341","","","0.0743","0.0793","","","","","","1.117","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076827","20.101","0.004","10.857","0.003","17.249","0.004","90","","90","","90","","3764.4","1.6","297","2","297","2","","","","","","","","5","P c a 21","P 2c -2ac","29","[RuCp(eta4-CH(C6H9)CHC(C6H9)CH-PCy2(eta1-C6H10))]PF6","","","- C39 H58 F6 P2 Ru -","- C39 H58 F6 P2 Ru -","- C156 H232 F24 P8 Ru4 -","4","1","","Rüba, Eva; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl; Bustelo, Emilio; Puerta, M. Carmen; Valerga, Pedro","Reactions of RuCp and RuCp* Allyl Carbene Complexes: Products Derived from Activation of Phenyl, Cyclohexyl, and Methyl C−H Bonds in PPh3, PCy3, and Cp* Ligands","Organometallics","2002","21","14","2912","","10.1021/om020094g","","","0.71073","MoKα","","0.0373","0.0278","","","0.0671","0.0713","","","","","","1.021","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076828","8.032","0.003","8.888","0.003","18.442","0.007","85.38","0.02","79.46","0.02","86.59","0.02","1288.8","0.8","297","2","297","2","","","","","","","","5","P -1","-P 1","2","[Ru(eta6-C5Me4CH2){eta4-CH2=C(CH2)3C=CHPEt3}]PF6","","","- C23 H38 F6 P2 Ru -","- C23 H38 F6 P2 Ru -","- C46 H76 F12 P4 Ru2 -","2","1","","Rüba, Eva; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl; Bustelo, Emilio; Puerta, M. Carmen; Valerga, Pedro","Reactions of RuCp and RuCp* Allyl Carbene Complexes: Products Derived from Activation of Phenyl, Cyclohexyl, and Methyl C−H Bonds in PPh3, PCy3, and Cp* Ligands","Organometallics","2002","21","14","2912","","10.1021/om020094g","","","0.71073","MoKα","","0.0689","0.0617","","","0.1468","0.1513","","","","","","1.025","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076829","17.285","0.0002","9.9082","0.0001","19.959","0.0002","90","","92.291","0.001","90","","3415.51","0.06","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H33 N W -","- C44 H33 N W -","- C176 H132 N4 W4 -","4","1","","Yeh, Wen-Yann; Peng, Shie-Ming; Lee, Gene-Hsiang","WCl(η2-C2Ph2)(η6-C6Ph6H): A Compound Containing a Metallacycloheptatriene Unit from Trimerization of Diphenylacetylene with W(NMe3)(η2-C2Ph2)3","Organometallics","2002","21","14","3058","","10.1021/om0201009","","","0.71073","MoKα","","0.0521","0.0347","","","0.0585","0.0632","","","","","","1.031","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076830","16.3984","0.0002","15.517","0.0003","16.6394","0.0003","90","","118.933","0.001","90","","3705.5","0.11","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H39 N W -","- C45 H39 N W -","- C180 H156 N4 W4 -","4","1","","Yeh, Wen-Yann; Peng, Shie-Ming; Lee, Gene-Hsiang","WCl(η2-C2Ph2)(η6-C6Ph6H): A Compound Containing a Metallacycloheptatriene Unit from Trimerization of Diphenylacetylene with W(NMe3)(η2-C2Ph2)3","Organometallics","2002","21","14","3058","","10.1021/om0201009","","","0.71073","MoKα","","0.0511","0.0312","","","0.0489","0.053","","","","","","1.04","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076831","13.286","0.003","15.15","0.003","21.303","0.004","90","","98.6","0.03","90","","4239.7","1.5","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C56 H42 Cl W -","- C56 H42 Cl W -","- C224 H168 Cl4 W4 -","4","1","","Yeh, Wen-Yann; Peng, Shie-Ming; Lee, Gene-Hsiang","WCl(η2-C2Ph2)(η6-C6Ph6H): A Compound Containing a Metallacycloheptatriene Unit from Trimerization of Diphenylacetylene with W(NMe3)(η2-C2Ph2)3","Organometallics","2002","21","14","3058","","10.1021/om0201009","","","0.71073","MoKα","","0.0457","0.0313","","0.0797","0.0751","","","","1.048","1.093","1.093","","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076832","11.0521","0.0008","11.7282","0.0008","12.5994","0.0009","87.263","0.002","80.941","0.001","67.894","0.001","1494.1","0.18","112.2","","112.2","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H45 Al N2 -","- C33 H45 Al N2 -","- C66 H90 Al2 N4 -","2","1","","Schmidt, Joseph A. R.; Arnold, John","Neutral and Cationic Aluminum Complexes Supported by Sterically Bulky Amidinate Ligands","Organometallics","2002","21","11","2306","","10.1021/om0201011","","","0.7107","MoKα","","0.104","0.043","","","","0.0452","","","","","","1.329","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076833","10.201","0.001","18.618","0.001","19.975","0.001","90","","97.958","0.002","90","","3757.2","0.5","154.2","","154.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Al Cl5 N2 -","- C35 H41 Al Cl7 N2 -","- C140 H164 Al4 Cl28 N8 -","4","1","","Schmidt, Joseph A. R.; Arnold, John","Neutral and Cationic Aluminum Complexes Supported by Sterically Bulky Amidinate Ligands","Organometallics","2002","21","11","2306","","10.1021/om0201011","","","0.7107","MoKα","","0.122","0.0706","","","","0.0802","","","","","","2.568","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076834","10.784","0.001","13.377","0.001","20.745","0.001","90","","94.399","0.001","90","","2983.8","0.4","125.2","","125.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 Al Cl2 N2 -","- C31 H39 Al Cl2 N2 -","- C124 H156 Al4 Cl8 N8 -","4","1","","Schmidt, Joseph A. R.; Arnold, John","Neutral and Cationic Aluminum Complexes Supported by Sterically Bulky Amidinate Ligands","Organometallics","2002","21","11","2306","","10.1021/om0201011","","","0.7107","MoKα","","0.049","0.0362","","","","0.0426","","","","","","1.406","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076835","13.3159","0.0007","9.842","0.0012","15.0004","0.0016","90","","92.1","0.006","90","","1964.6","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H21 B10 Mo N O5 -","- C10 H21 B10 Mo N O5 -","- C40 H84 B40 Mo4 N4 O20 -","4","1","","Kautz, Jason A.; Kissounko, Denis A.; Kissounko, Natalia S.; Stone, F. Gordon A.","Molybdenum Complexes of an Eight-Electron-Donor Monocarbollide Ligand, Geometrically Constrained by Intramolecular Five-Membered-Ring Formation","Organometallics","2002","21","12","2547","","10.1021/om020103l","","","0.71073","MoKα","","0.0595","0.0356","","","0.0731","0.0814","","","","","","1.032","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076836","23.5677","0.0002","12.6912","0.0002","31.0373","0.0001","90","","95.289","0.001","90","","9243.81","0.17","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Os3(CO)8(CNCH2C6H5)C60","Os3(CO)8(CNCH2C6H5)(mu3-eta2:eta2:eta2-C60) (2a)","","- C76.25 H7 N O8 Os3 S0.5 -","- C76.25 H7 N O8 Os3 S0.5 -","- C610 H56 N8 O64 Os24 S4 -","8","2","","Song, Hyunjoon; Lee, Chang H.; Lee, Kwangyeol; Park, Joon T.","Ligand-Induced Conversion ofπtoσC60−Metal Cluster Complexes: Full Characterization of theμ3-η1:η2:η1-C60Bonding Mode","Organometallics","2002","21","12","2514","","10.1021/om020109a","","","0.71073","MoKα","","0.1142","0.0693","","","0.1649","0.19","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076837","12.967","0.002","19.59","0.004","20.488","0.004","100.559","0.003","100.797","0.003","99.8","0.003","4911.7","1.6","233","2","233","2","","","","","","","","6","P -1","-P 1","2","Os3(CO)9(CNCH2C6H5)(C60)","Os3(CO)9(mu3-CNCH2C6H5)(mu3-eta1:eta2:eta1-C60) (2b)","","- C155 H14 N2 O18 Os6 S2 -","- C155 H14 N2 O18 Os6 S2 -","- C310 H28 N4 O36 Os12 S4 -","2","1","","Song, Hyunjoon; Lee, Chang H.; Lee, Kwangyeol; Park, Joon T.","Ligand-Induced Conversion ofπtoσC60−Metal Cluster Complexes: Full Characterization of theμ3-η1:η2:η1-C60Bonding Mode","Organometallics","2002","21","12","2514","","10.1021/om020109a","","","0.71073","MoKα","","0.0996","0.0819","","","0.2065","0.2174","","","","","","1.068","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076838","19.9376","0.0008","23.077","0.0009","12.8318","0.0005","90","","103.462","0.001","90","","5741.7","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Os3(CO)8(CNCH2C6H5)2(C60)","Os3(CO)8(CNCH2Ph)(mu3-CNCH2Ph)(mu3-eta1:eta2:eta1-C60) (3a)","","- C84 H14 N2 O8 Os3 -","- C84 H14 N2 O8 Os3 -","- C336 H56 N8 O32 Os12 -","4","1","","Song, Hyunjoon; Lee, Chang H.; Lee, Kwangyeol; Park, Joon T.","Ligand-Induced Conversion ofπtoσC60−Metal Cluster Complexes: Full Characterization of theμ3-η1:η2:η1-C60Bonding Mode","Organometallics","2002","21","12","2514","","10.1021/om020109a","","","0.71073","MoKα","","0.1058","0.0779","","","0.1995","0.2232","","","","","","1.158","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076839","19.4334","0.0002","10.6922","0.0002","29.0892","0.0002","90","","107.61","","90","","5761.07","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Os3(CO)8(CNCH2C6H5)2(C60)","Os3(CO)8(CNCH2C6H5)(mu3-CNCH2C6H5)(mu3-eta1:eta2:eta1-C60) (3b)","","- C85 H14 N2 O8 Os3 S2 -","- C85 H14 N2 O8 Os3 S2 -","- C340 H56 N8 O32 Os12 S8 -","4","1","","Song, Hyunjoon; Lee, Chang H.; Lee, Kwangyeol; Park, Joon T.","Ligand-Induced Conversion ofπtoσC60−Metal Cluster Complexes: Full Characterization of theμ3-η1:η2:η1-C60Bonding Mode","Organometallics","2002","21","12","2514","","10.1021/om020109a","","","0.71073","MoKα","","0.0695","0.0448","","","0.1052","0.1175","","","","","","1.009","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076840","10.0137","0.0001","10.7147","0.0001","27.8702","0.0004","79.381","0.0006","80.584","0.0005","73.0038","0.0005","2791.5","0.06","120","2","120","2","","","","","","","","7","P -1","-P 1","2","cis-[PtCl4(NH3){C(PPh3)CO2CH3}].DMF","","","- C24 H29 Cl4 N2 O3 P Pt -","- C24 H29 Cl4 N2 O3 P Pt -","- C96 H116 Cl16 N8 O12 P4 Pt4 -","4","2","","Bokach, Nadezhda A.; Selivanov, Stanislav I.; Kukushkin, Vadim Yu.; Vicente, Jose; Haukka, Matti; Pombeiro, Armando J. L.","Synthesis of the First Family of Platinum(IV) Complexes with Phosphorus Ylide Ligands","Organometallics","2002","21","18","3744","","10.1021/om020113m","","","0.71073","MoKα","","0.05","0.0351","","","0.0739","0.0785","","","","","","1.117","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076841","11.5765","0.0006","12.7577","0.0007","17.4006","0.001","90","","101.664","0.001","90","","2516.8","0.2","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H44 B F4 O4 P4 Rh Ru -","- C54 H44 B F4 O4 P4 Rh Ru -","- C108 H88 B2 F8 O8 P8 Rh2 Ru2 -","2","0.5","","Rowsell, Bryan D.; Trepanier, Steven J.; Lam, Robert; McDonald, Robert; Cowie, Martin","Methylene-Bridged Complexes of Rhodium/Ruthenium as Models for Bimetallic Fischer−Tropsch Catalysts: Comparisons with the Rh/Os and Ir/Ru Analogues","Organometallics","2002","21","15","3228","","10.1021/om020118j","","","0.71073","MoKα","","0.0303","0.0255","","","0.0663","0.069","","","","","","1.028","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076842","42.754","0.005","10.2403","0.0012","23.59","0.003","90","","90.455","0.002","90","","10328","2","193","2","193","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C55 H46 B F4 O4 P4 Rh Ru -","- C55 H46 B F4 O4 P4 Rh Ru -","- C440 H368 B8 F32 O32 P32 Rh8 Ru8 -","8","1","","Rowsell, Bryan D.; Trepanier, Steven J.; Lam, Robert; McDonald, Robert; Cowie, Martin","Methylene-Bridged Complexes of Rhodium/Ruthenium as Models for Bimetallic Fischer−Tropsch Catalysts: Comparisons with the Rh/Os and Ir/Ru Analogues","Organometallics","2002","21","15","3228","","10.1021/om020118j","","","0.71073","MoKα","","0.0601","0.0415","","","0.0972","0.1051","","","","","","1.01","","","","has coordinates,has disorder","178657","2020-10-21","18:00:00","" "4076843","20.3808","0.0013","12.7481","0.0009","23.2397","0.0014","90","","91.4953","0.0016","90","","6036","0.7","193","2","193","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C59 H59 B Cl4 F4 O3 P5 Rh Ru -","- C59 H59 B Cl4 F4 O3 P5 Rh Ru -","- C236 H236 B4 Cl16 F16 O12 P20 Rh4 Ru4 -","4","1","","Rowsell, Bryan D.; Trepanier, Steven J.; Lam, Robert; McDonald, Robert; Cowie, Martin","Methylene-Bridged Complexes of Rhodium/Ruthenium as Models for Bimetallic Fischer−Tropsch Catalysts: Comparisons with the Rh/Os and Ir/Ru Analogues","Organometallics","2002","21","15","3228","","10.1021/om020118j","","","0.71073","MoKα","","0.0961","0.0506","","","0.107","0.12","","","","","","0.951","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076844","38.606","0.008","11.595","0.002","24.166","0.005","90","","112.11","0.03","90","","10022","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H49 N2 O20 Sb W5 -","- C33 H49 N2 O20 Sb W4.963 -","- C264 H392 N16 O160 Sb8 W39.704 -","8","1","","Xu, Li; Whitmire, Kenton H.","Hybrid Metal Carbonyl−Oxide Clusters: Synthesis and Structure of [Et4N]2[(OC)5WSbW3(CO)9(μ3-OMe)2(μ3-O)WO2(OR)] (R = Me, H)","Organometallics","2002","21","13","2581","","10.1021/om020129c","","","0.71073","MoKα","","0.039","0.031","","","0.0737","0.077","","","","","","0.968","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076845","11.352","0.002","44.091","0.009","19.876","0.004","90","","104.11","0.03","90","","9648","3","570","2","570","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H47 N2 O20 Sb W5 -","- C32 H47 N2 O20 Sb W5 -","- C256 H376 N16 O160 Sb8 W40 -","8","2","","Xu, Li; Whitmire, Kenton H.","Hybrid Metal Carbonyl−Oxide Clusters: Synthesis and Structure of [Et4N]2[(OC)5WSbW3(CO)9(μ3-OMe)2(μ3-O)WO2(OR)] (R = Me, H)","Organometallics","2002","21","13","2581","","10.1021/om020129c","","","0.71073","MoKα","","0.1212","0.072","","","0.1664","0.1884","","","","","","0.895","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076846","7.54","0.005","7.719","0.005","9.138","0.005","108.086","0.005","96.328","0.005","91.565","0.005","501.4","0.5","180","2","180","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C16 H30 Cr O4 P2 -","- C8 H15 Cr0.5 O2 P -","- C16 H30 Cr O4 P2 -","2","1","","Brunet, Jean-Jacques; Diallo, Ousmane; Donnadieu, Bruno; Roblou, Emmanuel","Ligand Substitution Processes on Carbonylmetal Derivatives. 3.1Reaction of Hydridopentacarbonylchromates with Phosphines","Organometallics","2002","21","16","3388","","10.1021/om020130b","","","0.71073","MoKα","","0.0482","0.0455","","","0.1098","0.1118","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076847","15.4663","0.0013","13.7007","0.0011","23.544","0.002","90","","90","","90","","4989","0.7","180","2","180","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 Cr N6 O4 -","- C16 H36 Cr N6 O4 P2 -","- C128 H288 Cr8 N48 O32 P16 -","8","1","","Brunet, Jean-Jacques; Diallo, Ousmane; Donnadieu, Bruno; Roblou, Emmanuel","Ligand Substitution Processes on Carbonylmetal Derivatives. 3.1Reaction of Hydridopentacarbonylchromates with Phosphines","Organometallics","2002","21","16","3388","","10.1021/om020130b","","","0.71073","MoKα","","0.1118","0.0733","","","0.1216","0.1376","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076848","10.5452","0.0003","18.7436","0.0006","22.5033","0.0007","87.473","0.002","76.456","0.002","89.987","0.002","4319.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H52 Cl2 N P3 Ru -","- C50 H52 Cl2 N P3 Ru -","- C200 H208 Cl8 N4 P12 Ru4 -","4","2","","Rahman, Mohammed S.; Prince, Paul D.; Steed, Jonathan W.; Hii, King Kuok (Mimi)","Coordination Chemistry and Catalytic Activity of Ruthenium Complexes of Terdentate Phosphorus−Nitrogen−Phosphorus (PNP) and Bidentate Phosphorus−Nitrogen (PNH) Ligands","Organometallics","2002","21","23","4927","","10.1021/om0201314","","","0.71073","MoKα","","0.1273","0.0665","","","0.1","0.1156","","","","","","1.043","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076849","14.1873","0.001","14.5637","0.0006","25.5349","0.0015","90","","106.374","0.004","90","","5062","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H54 Cl6 N P3 Ru -","- C55 H54 Cl6 N P3 Ru -","- C220 H216 Cl24 N4 P12 Ru4 -","4","1","","Rahman, Mohammed S.; Prince, Paul D.; Steed, Jonathan W.; Hii, King Kuok (Mimi)","Coordination Chemistry and Catalytic Activity of Ruthenium Complexes of Terdentate Phosphorus−Nitrogen−Phosphorus (PNP) and Bidentate Phosphorus−Nitrogen (PNH) Ligands","Organometallics","2002","21","23","4927","","10.1021/om0201314","","","0.71073","MoKα","","0.1529","0.0911","","","0.2012","0.2442","","","","","","1.037","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076850","11.5098","0.0006","15.8943","0.0008","19.2179","0.0008","82.246","0.003","72.68","0.003","77.757","0.002","3270.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H42 Cl2 N2 P2 Ru -","- C34 H42 Cl2 N2 P2 Ru -","- C136 H168 Cl8 N8 P8 Ru4 -","4","2","","Rahman, Mohammed S.; Prince, Paul D.; Steed, Jonathan W.; Hii, King Kuok (Mimi)","Coordination Chemistry and Catalytic Activity of Ruthenium Complexes of Terdentate Phosphorus−Nitrogen−Phosphorus (PNP) and Bidentate Phosphorus−Nitrogen (PNH) Ligands","Organometallics","2002","21","23","4927","","10.1021/om0201314","","","0.71073","MoKα","","0.1211","0.0672","","","0.1108","0.1271","","","","","","1.054","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076851","10.9686","0.0006","12.1947","0.0008","16.7431","0.0011","97.173","0.004","107.402","0.004","110.999","0.004","1926.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 Cl2 N2 P2 Ru -","- C42 H43 Cl2 N2 P2 Ru -","- C84 H86 Cl4 N4 P4 Ru2 -","2","1","","Rahman, Mohammed S.; Prince, Paul D.; Steed, Jonathan W.; Hii, King Kuok (Mimi)","Coordination Chemistry and Catalytic Activity of Ruthenium Complexes of Terdentate Phosphorus−Nitrogen−Phosphorus (PNP) and Bidentate Phosphorus−Nitrogen (PNH) Ligands","Organometallics","2002","21","23","4927","","10.1021/om0201314","","","0.71073","MoKα","","0.1333","0.0765","","","0.1062","0.121","","","","","","1.078","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076852","13.9472","0.0001","10.1795","0.0001","19.5337","0.0001","90","","107.02","","90","","2651.84","0.03","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H34 B18 Cl2 Co N O3 -","- C8 H34 B18 Cl2 Co N O3 -","- C32 H136 B72 Cl8 Co4 N4 O12 -","4","1","","Taylor, Jesse W.; Englich, Ulrich; Ruhlandt-Senge, Karin; Spencer, James T.","Preparation and Characterization of Macropolyhedral Metallaborane Clusters from theanti-B18H22Borane Cluster: Crystal Structure of [(CH3)4N][anti-B18H20Co(CO)3]","Organometallics","2002","21","14","3054","","10.1021/om020139d","","","0.71073","MoKα","","0.0766","0.0592","","0.1716","0.1562","","","","1.092","1.158","1.158","","","","","has coordinates","295979","2024-11-17","21:40:15","" "4076853","10.0304","0.0002","13.3552","0.0003","34.9411","0.0009","90","","90","","90","","4680.64","0.19","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H56 Cl O5 P2 Rh -","- C47 H56 Cl O5 P2 Rh -","- C188 H224 Cl4 O20 P8 Rh4 -","4","1","","Suárez, Andrés; Méndez-Rojas, Miguel A.; Pizzano, Antonio","Electronic Differences between Coordinating Functionalities of Chiral Phosphine−Phosphites and Effects in Catalytic Enantioselective Hydrogenation","Organometallics","2002","21","22","4611","","10.1021/om020140c","","","0.71073","MoKα","","0.0425","0.0336","","","0.0738","0.0843","","","","","","1.035","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076854","11.067","0.002","11.134","0.002","13.521","0.003","108.19","0.03","95.02","0.03","97.93","0.03","1552.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 O Si2 Zr -","- C32 H48 O Si2 Zr -","- C64 H96 O2 Si4 Zr2 -","2","1","","Sun, Hongsui; Burlakov, Vladimir V.; Spannenberg, Anke; Baumann, Wolfgang; Arndt, Perdita; Rosenthal, Uwe","Reactions of Zirconocene−Alkyne Complexes with Polar Functionalized Olefins†","Organometallics","2002","21","16","3360","","10.1021/om0201415","","","0.71073","MoKα","","0.0493","0.0394","","0.109","0.1003","","","","1.021","1.092","1.092","","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25","" "4076855","8.206","0.002","16.48","0.003","17.352","0.003","90","","97.26","0.03","90","","2327.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 O2 Zr -","- C27 H36 O2 Zr -","- C108 H144 O8 Zr4 -","4","1","","Sun, Hongsui; Burlakov, Vladimir V.; Spannenberg, Anke; Baumann, Wolfgang; Arndt, Perdita; Rosenthal, Uwe","Reactions of Zirconocene−Alkyne Complexes with Polar Functionalized Olefins†","Organometallics","2002","21","16","3360","","10.1021/om0201415","","","0.71073","MoKα","","0.0441","0.0354","","0.106","0.093","","","","1.07","1.138","1.138","","","","","has coordinates,has disorder","178657","2020-10-21","18:00:00","" "4076856","9.634","0.0003","10.754","0.0004","24.336","0.0008","90","","90","","90","","2521.31","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 Si2 Ti -","- C26 H42 Si2 Ti -","- C104 H168 Si8 Ti4 -","4","1","","Lukešová, Lenka; Štěpnička, Petr; Fejfarová, Karla; Gyepes, Róbert; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel","Reduction-Induced Cyclization and Redox Reactions of Fully Methylated Titanocene Dichlorides Bearing Pendant Alkenyldimethylsilyl Groups, [TiCl2{η5-C5Me4(SiMe2R)}2] (R = Vinyl and Allyl)","Organometallics","2002","21","13","2639","","10.1021/om020150d","","","0.71073","MoKα","","0.0495","0.0423","","","0.0934","0.0985","","","","","","1.077","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076857","8.6141","0.0003","16.0382","0.0008","9.9644","0.0003","90","","109.099","0.002","90","","1300.85","0.09","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H41 Cl Si2 Ti -","- C26 H41 Cl Si2 Ti -","- C52 H82 Cl2 Si4 Ti2 -","2","1","","Lukešová, Lenka; Štěpnička, Petr; Fejfarová, Karla; Gyepes, Róbert; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel","Reduction-Induced Cyclization and Redox Reactions of Fully Methylated Titanocene Dichlorides Bearing Pendant Alkenyldimethylsilyl Groups, [TiCl2{η5-C5Me4(SiMe2R)}2] (R = Vinyl and Allyl)","Organometallics","2002","21","13","2639","","10.1021/om020150d","","","0.71073","MoKα","","0.051","0.0449","","","0.1133","0.1183","","","","","","1.066","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076858","28.401","0.0011","15.432","0.0007","14.434","0.0005","90","","119.653","0.002","90","","5497.7","0.4","150","2","150","2","","","","","","","synthesized by the authors","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H45 O Si2 Ti -","- C27 H45 O Si2 Ti -","- C216 H360 O8 Si16 Ti8 -","8","1","","Lukešová, Lenka; Štěpnička, Petr; Fejfarová, Karla; Gyepes, Róbert; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel","Reduction-Induced Cyclization and Redox Reactions of Fully Methylated Titanocene Dichlorides Bearing Pendant Alkenyldimethylsilyl Groups, [TiCl2{η5-C5Me4(SiMe2R)}2] (R = Vinyl and Allyl)","Organometallics","2002","21","13","2639","","10.1021/om020150d","","","0.71073","MoKα","","0.0657","0.0431","","","0.1031","0.1148","","","","","","1.026","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076859","8.166","0.0002","32.079","0.0007","10.731","0.0002","90","","103.524","0.0013","90","","2733.12","0.1","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Cl2 Si2 Ti -","- C26 H42 Cl2 Si2 Ti -","- C104 H168 Cl8 Si8 Ti4 -","4","1","","Lukešová, Lenka; Štěpnička, Petr; Fejfarová, Karla; Gyepes, Róbert; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel","Reduction-Induced Cyclization and Redox Reactions of Fully Methylated Titanocene Dichlorides Bearing Pendant Alkenyldimethylsilyl Groups, [TiCl2{η5-C5Me4(SiMe2R)}2] (R = Vinyl and Allyl)","Organometallics","2002","21","13","2639","","10.1021/om020150d","","","0.71073","MoKα","","0.0631","0.0452","","","0.1071","0.1159","","","","","","1.056","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076860","9.1428","0.0017","32.708","0.002","9.7927","0.0009","90","","94.343","0.012","90","","2920","0.6","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C33 H32 Ir O P Si -","- C33 H32 Ir O P Si -","- C132 H128 Ir4 O4 P4 Si4 -","4","1","","Wu, He-Ping; Lanza, Seren; Weakley, Timothy J. R.; Haley, Michael M.","Metallabenzenes and Valence Isomers. 3. Unexpected Rearrangement of Two Regioisomeric Iridabenzenes to an (η5-Cyclopentadienyl)iridium(I) Complex","Organometallics","2002","21","14","2824","","10.1021/om0201563","","","0.71073","MoKα","","0.032","0.022","","0.052","","0.025","","","1.17","","","1.19","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076861","9.089","0.0003","15.8105","0.0006","16.664","0.0006","117.853","","93.755","0.001","100.623","","2049.02","0.13","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","eta(5)-Cp*Co(2,3-Et2C2B4H3)-5-O(CH2)4-(eta(4)-C5Me5)Co(2,3-Et2C2B4H4-5-I)","","- C36 H65 B8 Co2 I O -","- C36 H64 B8 Co2 I O -","- C72 H128 B16 Co4 I2 O2 -","2","1","","Russell, J. Monte; Sabat, Michal; Grimes, Russell N.","Organotransition-Metal Metallacarboranes. 59.1Synthesis and Linkage of Boron-Functionalized Ferracarborane Clusters","Organometallics","2002","21","20","4113","","10.1021/om020158n","","","0.71073","MoKα","","0.0904","0.0567","","","0.1411","0.154","","","","","","0.922","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076862","14.2941","0.0011","11.4066","0.0009","21.372","0.0016","90","","93.074","0.002","90","","3479.6","0.5","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[K(18-C-6)] [eta(5)-Cp*Co(2,3-Et2C2B4H3-5-I)]","","- C28 H52 B4 Co I K O6 -","- C28 H52 B4 Co I K O6 -","- C112 H208 B16 Co4 I4 K4 O24 -","4","1","","Russell, J. Monte; Sabat, Michal; Grimes, Russell N.","Organotransition-Metal Metallacarboranes. 59.1Synthesis and Linkage of Boron-Functionalized Ferracarborane Clusters","Organometallics","2002","21","20","4113","","10.1021/om020158n","","","0.71073","MoKα","","0.1173","0.0497","","","0.0677","0.0765","","","","","","0.702","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076863","8.8292","0.0006","13.9778","0.0009","16.6964","0.0011","84.742","0.001","78.751","0.001","89.233","0.001","2012.4","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","eta(5)-Cp*Co(2,3-Et2C2B4H3-7-NMe2)","","- C18 H34 B4 Co N -","- C18 H26.5 B4 Co N -","- C72 H106 B16 Co4 N4 -","4","2","","Russell, J. Monte; Sabat, Michal; Grimes, Russell N.","Organotransition-Metal Metallacarboranes. 59.1Synthesis and Linkage of Boron-Functionalized Ferracarborane Clusters","Organometallics","2002","21","20","4113","","10.1021/om020158n","","","0.71073","MoKα","","0.0674","0.0464","","","0.1335","0.1426","","","","","","0.976","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076864","21.091","0.005","23.371","0.006","8.772","0.003","90","","90","","90","","4324","2","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","eta(6)-C6H6Fe(2,3-Et2C2B4H3)-5-PhCr(CO)3","","- C21 H24 B4 Cr Fe O3 -","- C21 H24 B4 Cr Fe O3 -","- C168 H192 B32 Cr8 Fe8 O24 -","8","1","","Russell, J. Monte; Sabat, Michal; Grimes, Russell N.","Organotransition-Metal Metallacarboranes. 59.1Synthesis and Linkage of Boron-Functionalized Ferracarborane Clusters","Organometallics","2002","21","20","4113","","10.1021/om020158n","","","0.71069","MoKα","","0.0324","0.046","","","0.065","0.0727","","","","","","1.91","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076865","18.6124","0.0005","18.6124","0.0005","7.8924","0.0003","90","","90","","120","","2367.8","0.13","153","2","153","2","","","","","","","","5","P 31","P 31","144","","2,5[eta(6)-C6H6Fe(2,3-Et2C2B4H3)-5-]2 C4H2S","","- C28 H50 B8 Fe2 S -","- C28 H30 B8 Fe2 S -","- C84 H90 B24 Fe6 S3 -","3","1","","Russell, J. Monte; Sabat, Michal; Grimes, Russell N.","Organotransition-Metal Metallacarboranes. 59.1Synthesis and Linkage of Boron-Functionalized Ferracarborane Clusters","Organometallics","2002","21","20","4113","","10.1021/om020158n","","","0.71073","MoKα","","0.0324","0.0301","","","0.0721","0.0727","","","","","","0.979","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076866","21.275","0.002","14.1869","0.0014","14.4804","0.0014","90","","106.776","0.002","90","","4184.6","0.7","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,4''-[eta(6)-C6H6Fe(2,3-Et2C2B4H3)-5-]2 C18H12 . 0.5 CH2Cl2","","- C43 H53 B8 Cl2 Fe2 -","- C43 H6 B8 Cl2 Fe2 -","- C172 H24 B32 Cl8 Fe8 -","4","0.5","","Russell, J. Monte; Sabat, Michal; Grimes, Russell N.","Organotransition-Metal Metallacarboranes. 59.1Synthesis and Linkage of Boron-Functionalized Ferracarborane Clusters","Organometallics","2002","21","20","4113","","10.1021/om020158n","","","0.71073","MoKα","","0.1292","0.0747","","","0.2162","0.2482","","","","","","1.026","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076867","7.6421","0.0005","15.8009","0.0011","22.5027","0.0016","90","","91.606","0.002","90","","2716.2","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","eta(6)-C6H6Fe(2,3-Et2C2B4H3)-5-(eta(6)-C6H5)Fe(Et2C2B4H3-5-I)","","- C24 H37 B8 Fe2 I -","- C24 H37 B8 Fe2 I -","- C96 H148 B32 Fe8 I4 -","4","1","","Russell, J. Monte; Sabat, Michal; Grimes, Russell N.","Organotransition-Metal Metallacarboranes. 59.1Synthesis and Linkage of Boron-Functionalized Ferracarborane Clusters","Organometallics","2002","21","20","4113","","10.1021/om020158n","","","0.71073","MoKα","","0.0509","0.036","","","0.069","0.0718","","","","","","0.867","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076868","13.526","0.003","11.326","0.003","23.276","0.005","90","","104.41","0.02","90","","3453.6","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36.7 H33 F6 Mo O P3 -","- C36.7 H33 F6 Mo O P3 -","- C146.8 H132 F24 Mo4 O4 P12 -","4","1","","Burrows, Andrew D.; Carr, Nicholas; Green, Michael; Lynam, Jason M.; Mahon, Mary F.; Murray, Martin; Kiran, Boggavarapu; Nguyen, Minh T.; Jones, Cameron","Synthesis, Reactivity, and Theoretical Studies of the η2(4e)-Bonded Phosphaalkyne Complex [CpMo{P(OMe)3}2{η2(4e)-P⋮CBut}][B(C6F5)4] and the Molybdenum-Mediated Cyclocotrimerization of Alkyne and Phosphaalkyne Ligands","Organometallics","2002","21","15","3076","","10.1021/om020169g","","","0.7093","","","0.1105","0.0511","","","0.1251","0.1524","","","","","","0.972","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076869","7.6238","0.0002","10.4591","0.0003","13.8715","0.0002","102.695","0.0018","98.438","0.0018","101.327","0.0012","1036.97","0.04","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H32 N2 V -","- C22 H32 N2 V -","- C44 H64 N4 V2 -","2","1","","Bradley, Sam; Camm, Kenneth D.; Furtado, Stephen J.; Gott, Andrew L.; McGowan, Patrick C.; Podesta, Thomas J.; Thornton-Pett, Mark","Synthesis and Structure of Amino-Functionalized Cyclopentadienyl Vanadium Complexes and Evaluation of Their Butadiene Polymerization Behavior","Organometallics","2002","21","16","3443","","10.1021/om020170f","","","0.71073","MoKα","","0.0405","0.0339","","","0.0974","0.0996","","","","","","1.095","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076870","6.0103","0.0001","11.5924","0.0002","15.6388","0.0003","90","","97.878","0.0011","90","","1079.33","0.03","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N2 V -","- C24 H36 N2 V -","- C48 H72 N4 V2 -","2","0.5","","Bradley, Sam; Camm, Kenneth D.; Furtado, Stephen J.; Gott, Andrew L.; McGowan, Patrick C.; Podesta, Thomas J.; Thornton-Pett, Mark","Synthesis and Structure of Amino-Functionalized Cyclopentadienyl Vanadium Complexes and Evaluation of Their Butadiene Polymerization Behavior","Organometallics","2002","21","16","3443","","10.1021/om020170f","","","0.71073","MoKα","","0.0635","0.0614","","","0.1578","0.1591","","","","","","1.148","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076871","7.4989","0.0013","10.0473","0.0014","15.745","0.003","106.673","0.011","93.165","0.007","102.437","0.011","1101","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H32 Cl N2 V -","- C22 H32 Cl N2 V -","- C44 H64 Cl2 N4 V2 -","2","1","","Bradley, Sam; Camm, Kenneth D.; Furtado, Stephen J.; Gott, Andrew L.; McGowan, Patrick C.; Podesta, Thomas J.; Thornton-Pett, Mark","Synthesis and Structure of Amino-Functionalized Cyclopentadienyl Vanadium Complexes and Evaluation of Their Butadiene Polymerization Behavior","Organometallics","2002","21","16","3443","","10.1021/om020170f","","","0.71073","MoKα","","0.0664","0.0568","","","0.1436","0.1517","","","","","","1.066","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076872","9.3569","0.0006","7.328","0.0004","33.766","0.002","90","","97.528","0.002","90","","2295.3","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Cl N2 V -","- C24 H36 Cl N2 V -","- C96 H144 Cl4 N8 V4 -","4","0.5","","Bradley, Sam; Camm, Kenneth D.; Furtado, Stephen J.; Gott, Andrew L.; McGowan, Patrick C.; Podesta, Thomas J.; Thornton-Pett, Mark","Synthesis and Structure of Amino-Functionalized Cyclopentadienyl Vanadium Complexes and Evaluation of Their Butadiene Polymerization Behavior","Organometallics","2002","21","16","3443","","10.1021/om020170f","","","0.71073","MoKα","","0.0666","0.0616","","","0.1529","0.1567","","","","","","1.114","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076874","7.7777","0.0002","12.3567","0.0003","25.3634","0.0007","90","","90","","90","","2437.59","0.11","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 Cl2 N P2 V -","- C18 H36 Cl2 N P2 V -","- C72 H144 Cl8 N4 P8 V4 -","4","1","","Bradley, Sam; Camm, Kenneth D.; Furtado, Stephen J.; Gott, Andrew L.; McGowan, Patrick C.; Podesta, Thomas J.; Thornton-Pett, Mark","Synthesis and Structure of Amino-Functionalized Cyclopentadienyl Vanadium Complexes and Evaluation of Their Butadiene Polymerization Behavior","Organometallics","2002","21","16","3443","","10.1021/om020170f","","","0.71073","MoKα","","0.0542","0.0394","","","0.0926","0.1012","","","","","","1.011","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076875","12.742","0.0004","10.1132","0.0005","17.4682","0.0008","90","","99.374","0.003","90","","2220.93","0.17","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H34 Cl2 N P2 V -","- C17 H34 Cl2 N P2 V -","- C68 H136 Cl8 N4 P8 V4 -","4","1","","Bradley, Sam; Camm, Kenneth D.; Furtado, Stephen J.; Gott, Andrew L.; McGowan, Patrick C.; Podesta, Thomas J.; Thornton-Pett, Mark","Synthesis and Structure of Amino-Functionalized Cyclopentadienyl Vanadium Complexes and Evaluation of Their Butadiene Polymerization Behavior","Organometallics","2002","21","16","3443","","10.1021/om020170f","","","0.71069","MoKα","","0.0534","0.0472","","","0.1217","0.1271","","","","","","1.028","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076876","7.8994","0.0001","12.6044","0.0002","12.09","0.0003","90","","98.014","0.0008","90","","1192.01","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Cl2 Cr N -","- C11 H16 Cl2 Cr N -","- C44 H64 Cl8 Cr4 N4 -","4","1","","Bradley, Sam; Camm, Kenneth D.; Furtado, Stephen J.; Gott, Andrew L.; McGowan, Patrick C.; Podesta, Thomas J.; Thornton-Pett, Mark","Synthesis and Structure of Amino-Functionalized Cyclopentadienyl Vanadium Complexes and Evaluation of Their Butadiene Polymerization Behavior","Organometallics","2002","21","16","3443","","10.1021/om020170f","","","0.71073","MoKα","","0.0308","0.0248","","","0.0645","0.0668","","","","","","1.044","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076877","9.2852","0.0004","10.3219","0.0004","13.4911","0.0005","97.974","0.003","105.797","0.003","112.489","0.002","1105.83","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H11 N O9 Os3 S -","- C19 H11 N O9 Os3 S -","- C38 H22 N2 O18 Os6 S2 -","2","1","","Kabir, Shariff E.; Malik, K. M. Abdul; Mandal, Himadri S.; Mottalib, Md. Abdul; Abedin, Md. Joynal; Rosenberg, Edward","Reaction of Os3(CO)9(μ3-η2-C7H3(2-CH3)NS)(μ-H) with Diazomethane. The First Example of a Trimetallic Cluster Containing a μ-Methylidene and a σ-Methyl","Organometallics","2002","21","13","2593","","10.1021/om020174k","","","0.71073","MoKα","","0.0536","0.0412","","0.0991","0.0931","","","","1.017","1.056","1.056","","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076878","16.1881","0.0004","11.2807","0.0004","11.8325","0.0004","90","","100.692","0.0018","90","","2123.26","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 N O8 Os3 S -","- C17 H9 N O8 Os3 S -","- C68 H36 N4 O32 Os12 S4 -","4","1","","Kabir, Shariff E.; Malik, K. M. Abdul; Mandal, Himadri S.; Mottalib, Md. Abdul; Abedin, Md. Joynal; Rosenberg, Edward","Reaction of Os3(CO)9(μ3-η2-C7H3(2-CH3)NS)(μ-H) with Diazomethane. The First Example of a Trimetallic Cluster Containing a μ-Methylidene and a σ-Methyl","Organometallics","2002","21","13","2593","","10.1021/om020174k","","","0.71073","MoKα","","0.0729","0.0459","","0.1083","0.098","","","","0.994","1.07","1.07","","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076879","17.1859","0.0003","19.2859","0.0003","24.3778","0.0004","90","","90","","90","","8079.9","0.2","166.2","","166.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H64 Li N4 O Si2 Ta -","- C33 H60 Li N4 O Si2 Ta -","- C264 H480 Li8 N32 O8 Si16 Ta8 -","8","1","","Schmidt, Joseph A. R.; Arnold, John","Reactions of a Triazacyclononane-Supported Tantalum−Lithium Bridging Alkylidene with Organic Substrates","Organometallics","2002","21","16","3426","","10.1021/om020175c","","","0.7107","MoKα","","0.0596","0.025","","0.0366","0.0283","0.0283","","","","","","0.79","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076880","10.345","0.002","10.809","0.002","21.829","0.005","79.567","0.003","80.29","0.004","67.108","0.003","2198.4","0.8","156.2","","156.2","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H71 N4 O Si2 Ta -","- C40 H62 N4 O Si2 Ta -","- C80 H124 N8 O2 Si4 Ta2 -","2","1","","Schmidt, Joseph A. R.; Arnold, John","Reactions of a Triazacyclononane-Supported Tantalum−Lithium Bridging Alkylidene with Organic Substrates","Organometallics","2002","21","16","3426","","10.1021/om020175c","","","0.7107","MoKα","","0.1392","0.1093","","0.1644","0.154","0.154","","","","","","4.066","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076881","12.6274","0.0006","10.4427","0.0005","15.2552","0.0007","90","","94.226","0.001","90","","2006.14","0.16","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cl2 Zr -","- C25 H22 Cl2 Zr -","- C100 H88 Cl8 Zr4 -","4","1","","Chin, Robert M.; Jarosh, Michael S.; Russell, Jason D.; Lachicotte, Rene J.","Synthesis and Characterization of a Zirconium Complex Containing a Corannulene-Based Ligand","Organometallics","2002","21","10","2027","","10.1021/om0201765","","","0.71073","MoKα","","0.0242","0.0223","","","0.0574","0.0584","","","","","","1.046","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076882","6.757","0.0001","13.2078","0.0002","18.1298","0.0003","90","","97.301","0.001","90","","1604.88","0.04","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H33 Co F12 Fe N2 O P2 -","- C27 H33 Co F12 Fe N2 O P2 -","- C54 H66 Co2 F24 Fe2 N4 O2 P4 -","2","1","","González, Blanca; Cuadrado, Isabel; Alonso, Beatriz; Casado, Carmen M.; Morán, Moisés; Kaifer, Angel E.","Mixed Cobaltocenium−Ferrocene Heterobimetallic Complexes and Their Binding Interactions with β-Cyclodextrin. A Three-State, Host−Guest System under Redox Control","Organometallics","2002","21","17","3544","","10.1021/om0202064","","","1.54178","CuKα","","0.0455","0.0382","","","0.0856","0.088","","","","","","0.925","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076883","9.0341","0.0012","11.7501","0.0012","17.361","0.002","71.257","0.01","80.242","0.01","72.942","0.01","1662.6","0.4","150","","150","","","","","","","","see text","5","P -1","-P 1","2","","","","- C34 H34 O4 P2 Ru -","- C34 H34 O4 P2 Ru -","- C68 H68 O8 P4 Ru2 -","2","1","","van der Drift, Robert C.; Bouwman, Elisabeth; Drent, Eite; Kooijman, Huub; Spek, Anthony L.; van Oort, A. Bart; Mul, Wilhelmus P.","Structure, Dynamic Behavior, and Catalytic Activity of a Novel Ruthenium Cyclopentadienyl Complex with a Tridentate P,P,O Ligand","Organometallics","2002","21","16","3401","","10.1021/om020218p","","","0.71073","MoKa","","0.0546","0.0383","","","0.086","0.0913","","","","","","1.048","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076884","10.1667","0.0006","17.8999","0.0011","11.9921","0.0007","90","","93.309","0.002","90","","2178.7","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H31 Cl N2 O Ru -","- C22 H31 Cl N2 O Ru -","- C88 H124 Cl4 N8 O4 Ru4 -","4","1","","Hayashida, Taizo; Nagashima, Hideo","Access to Novel Ruthenium−Amidinate Complexes, (η6-arene)Ru(η2-amidinate)X and [Ru(η2-amidinate)(MeCN)4]+PF6-by Photochemical Displacement of the Benzene Ligand in (η6-C6H6)Ru(η2-amidinate)X","Organometallics","2002","21","19","3884","","10.1021/om020227y","","","0.71069","MoKα","","0.0549","0.0413","","","0.1021","0.1114","","","","","","0.761","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076885","9.1744","0.0005","13.6993","0.0007","24.8932","0.0017","90","","94.395","0.001","90","","3119.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 F6 N6 P Ru -","- C29 H37 F6 N6 P Ru -","- C116 H148 F24 N24 P4 Ru4 -","4","1","","Hayashida, Taizo; Nagashima, Hideo","Access to Novel Ruthenium−Amidinate Complexes, (η6-arene)Ru(η2-amidinate)X and [Ru(η2-amidinate)(MeCN)4]+PF6-by Photochemical Displacement of the Benzene Ligand in (η6-C6H6)Ru(η2-amidinate)X","Organometallics","2002","21","19","3884","","10.1021/om020227y","","","0.71069","MoKα","","0.0874","0.0553","","","0.146","0.1671","","","","","","1.073","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076886","15.7617","0.0018","15.8066","0.0018","17.8368","0.0019","90","","90","","90","","4443.8","0.9","203","2","203","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H44 Cr -","- C20 H44 Cr -","- C160 H352 Cr8 -","8","1","","Schulzke, Carola; Enright, Dave; Sugiyama, Hiroyasu; LeBlanc, Guy; Gambarotta, Sandro; Yap, Glenn P. A.; Thompson, Laurence K.; Wilson, David R.; Duchateau, Rob","The Unusual Stability of Homoleptic Di- and Tetravalent Chromium Alkyls","Organometallics","2002","21","18","3810","","10.1021/om020237z","","","0.71073","MoKα","","0.1461","0.0873","","","0.2965","0.3154","","","","","","1.085","","","","has coordinates,has disorder","178657","2020-10-21","18:00:00","" "4076887","18.7133","0.0018","8.3575","0.0008","18.7599","0.0018","90","","116.289","0.001","90","","2630.5","0.4","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H44 Cr Si4 -","- C16 H44 Cr Si4 -","- C64 H176 Cr4 Si16 -","4","0.5","","Schulzke, Carola; Enright, Dave; Sugiyama, Hiroyasu; LeBlanc, Guy; Gambarotta, Sandro; Yap, Glenn P. A.; Thompson, Laurence K.; Wilson, David R.; Duchateau, Rob","The Unusual Stability of Homoleptic Di- and Tetravalent Chromium Alkyls","Organometallics","2002","21","18","3810","","10.1021/om020237z","","","0.71073","MoKα","","0.0972","0.0904","","","0.2388","0.242","","","","","","1.053","","","","has coordinates,has disorder","178657","2020-10-21","18:00:00","" "4076888","17.0805","0.0016","13.4843","0.0013","22.873","0.002","90","","99.603","0.002","90","","5194.3","0.8","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 Cr4 Si8 -","- C32 H88 Cr4 Si8 -","- C128 H352 Cr16 Si32 -","4","1","","Schulzke, Carola; Enright, Dave; Sugiyama, Hiroyasu; LeBlanc, Guy; Gambarotta, Sandro; Yap, Glenn P. A.; Thompson, Laurence K.; Wilson, David R.; Duchateau, Rob","The Unusual Stability of Homoleptic Di- and Tetravalent Chromium Alkyls","Organometallics","2002","21","18","3810","","10.1021/om020237z","","","0.71073","MoKα","","0.1292","0.0541","","","0.1153","0.1429","","","","","","1.024","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076889","16.7213","0.0008","13.6135","0.0003","18.8588","0.001","90","","115.789","0.002","90","","3865.4","0.3","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C96 H80 Cl2 O2 P4 Rh2 -","- C96 H80 Cl2 O2 P4 Rh2 -","- C192 H160 Cl4 O4 P8 Rh4 -","2","1","","Bunten, Kevin A.; Farrar, David H.; Poë, Anthony J.; Lough, Alan","Stoichiometric and Catalytic Oxidation of BINAP by Dioxygen in a Rhodium(I) Complex","Organometallics","2002","21","16","3344","","10.1021/om020241a","","","0.71073","MoKα","","0.0752","0.0506","","","0.1008","0.1113","","","","","","1.023","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076890","11.771","0.0003","11.567","0.0003","13.848","0.0004","90","","110.17","0.0014","90","","1769.85","0.08","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H32 Cl O P2 Rh -","- C45 H32 Cl O P2 Rh -","- C90 H64 Cl2 O2 P4 Rh2 -","2","1","","Bunten, Kevin A.; Farrar, David H.; Poë, Anthony J.; Lough, Alan","Stoichiometric and Catalytic Oxidation of BINAP by Dioxygen in a Rhodium(I) Complex","Organometallics","2002","21","16","3344","","10.1021/om020241a","","","0.7122","MoKα","","0.0377","0.0294","","","0.0604","0.0622","","","","","","1.053","","","","has coordinates,has disorder","178657","2020-10-21","18:00:00","" "4076891","11.9532","0.0004","11.7459","0.0004","13.5388","0.0004","90","","108.612","0.0018","90","","1801.45","0.1","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H32 Cl O2 P2 Rh -","- C45 H32 Cl O2 P2 Rh -","- C90 H64 Cl2 O4 P4 Rh2 -","2","1","","Bunten, Kevin A.; Farrar, David H.; Poë, Anthony J.; Lough, Alan","Stoichiometric and Catalytic Oxidation of BINAP by Dioxygen in a Rhodium(I) Complex","Organometallics","2002","21","16","3344","","10.1021/om020241a","","","0.7122","MoKα","","0.0642","0.0436","","","0.0848","0.0905","","","","","","0.99","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076892","9.4352","0.0017","23.389","0.004","18.249","0.003","90","","90.213","0.004","90","","4027.2","1.2","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46.5 H49 P3 Pd -","- C46.5 H43 P3 Pd -","- C186 H172 P12 Pd4 -","4","1","","Zhuravel, Michael A.; Glueck, David S.; Zakharov, Lev N.; Rheingold, Arnold L.","Palladium(II) Terminal Phosphido Complexes Derived from Cyclometalated Dimesitylphosphine: Synthesis, Structure, and Low-Barrier Phosphorus Inversion","Organometallics","2002","21","15","3208","","10.1021/om020249k","","","0.71073","MoKα","","0.0611","0.0402","","","0.0987","0.1131","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076893","9.6982","0.0007","11.7577","0.0008","16.9489","0.0012","79.318","0.001","80.299","0.001","88.051","0.001","1872","0.2","221","2","221","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H45 P3 Pd -","- C44 H45 P3 Pd -","- C88 H90 P6 Pd2 -","2","1","","Zhuravel, Michael A.; Glueck, David S.; Zakharov, Lev N.; Rheingold, Arnold L.","Palladium(II) Terminal Phosphido Complexes Derived from Cyclometalated Dimesitylphosphine: Synthesis, Structure, and Low-Barrier Phosphorus Inversion","Organometallics","2002","21","15","3208","","10.1021/om020249k","","","0.71073","MoKα","","0.041","0.0383","","","0.1349","0.1374","","","","","","1.136","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076894","17.9286","0.0007","21.6998","0.0008","8.7517","0.0002","90","","90","","90","","3404.8","0.2","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","compound 1a","","","- C31 H49 B Co N6 O2 -","- C31 H49 B Co N6 O2 -","- C124 H196 B4 Co4 N24 O8 -","4","1","","Yoshimitsu, Shin-ichi; Hikichi, Shiro; Akita, Munetaka","Synthesis and Characterization of Coordinatively Unsaturated Alkynyl- and Aryl-Cobalt Complexes with 15 Valence Electrons, TpiPr2Co−R, Bearing the Hydrotris(3,5-diisopropylpyrazolyl)borato Ligand (TpiPr2)","Organometallics","2002","21","18","3762","","10.1021/om020268u","","","0.71069","MoKα","","0.0556","0.0489","","","0.1242","0.1287","","","","","","0.849","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076895","14.144","0.0004","31.3152","0.0008","9.5739","0.0002","90","","108.074","0.001","90","","4031.25","0.18","213","2","213","2","","","","","","","","6","P 1 21 1","P 2yb","4","compound 1e","","","- C35 H61 B Co N6 Si -","- C35 H61 B Co N6 Si -","- C140 H244 B4 Co4 N24 Si4 -","4","2","","Yoshimitsu, Shin-ichi; Hikichi, Shiro; Akita, Munetaka","Synthesis and Characterization of Coordinatively Unsaturated Alkynyl- and Aryl-Cobalt Complexes with 15 Valence Electrons, TpiPr2Co−R, Bearing the Hydrotris(3,5-diisopropylpyrazolyl)borato Ligand (TpiPr2)","Organometallics","2002","21","18","3762","","10.1021/om020268u","","","0.71069","MoKα","","0.0876","0.0518","","","0.1283","0.1438","","","","","","0.776","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076896","9.3235","0.0004","15.3962","0.0007","24.3715","0.0008","90","","96.615","0.002","90","","3475.2","0.2","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 2","","","- C34 H53 B Co N6 -","- C34 H53 B Co N6 -","- C136 H212 B4 Co4 N24 -","4","1","","Yoshimitsu, Shin-ichi; Hikichi, Shiro; Akita, Munetaka","Synthesis and Characterization of Coordinatively Unsaturated Alkynyl- and Aryl-Cobalt Complexes with 15 Valence Electrons, TpiPr2Co−R, Bearing the Hydrotris(3,5-diisopropylpyrazolyl)borato Ligand (TpiPr2)","Organometallics","2002","21","18","3762","","10.1021/om020268u","","","0.71069","MoKα","","0.0955","0.0516","","","0.1281","0.1446","","","","","","0.785","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076897","9.4764","0.0019","24.278","0.003","19.695","0.004","90","","95.902","0.004","90","","4507.2","1.4","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","compound 5","","","- C45 H61 B Co N6 O Si -","- C45 H61 B Co N6 O Si -","- C180 H244 B4 Co4 N24 O4 Si4 -","4","1","","Yoshimitsu, Shin-ichi; Hikichi, Shiro; Akita, Munetaka","Synthesis and Characterization of Coordinatively Unsaturated Alkynyl- and Aryl-Cobalt Complexes with 15 Valence Electrons, TpiPr2Co−R, Bearing the Hydrotris(3,5-diisopropylpyrazolyl)borato Ligand (TpiPr2)","Organometallics","2002","21","18","3762","","10.1021/om020268u","","","0.71069","MoKα","","0.3054","0.13","","","0.2642","0.3118","","","","","","1.033","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076898","19.3774","0.0012","13.7491","0.001","20.1301","0.0012","90","","116.475","0.002","90","","4800.7","0.5","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","compound 5'","","","- C48 H68 B N6 Ni O Si -","- C48 H61 B N6 Ni O Si -","- C192 H244 B4 N24 Ni4 O4 Si4 -","4","1","","Yoshimitsu, Shin-ichi; Hikichi, Shiro; Akita, Munetaka","Synthesis and Characterization of Coordinatively Unsaturated Alkynyl- and Aryl-Cobalt Complexes with 15 Valence Electrons, TpiPr2Co−R, Bearing the Hydrotris(3,5-diisopropylpyrazolyl)borato Ligand (TpiPr2)","Organometallics","2002","21","18","3762","","10.1021/om020268u","","","0.71069","MoKα","","0.129","0.0676","","","0.1712","0.1954","","","","","","0.97","","","","has coordinates","178657","2020-10-21","18:00:00","" "4076899","9.4493","0.0012","15.7388","0.0009","25.9624","0.0012","90","","93.506","0.004","90","","3853.9","0.6","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound 10","","","- C35 H53 B Co N6 O2 -","- C35 H53 B Co N6 O2 -","- C140 H212 B4 Co4 N24 O8 -","4","1","","Yoshimitsu, Shin-ichi; Hikichi, Shiro; Akita, Munetaka","Synthesis and Characterization of Coordinatively Unsaturated Alkynyl- and Aryl-Cobalt Complexes with 15 Valence Electrons, TpiPr2Co−R, Bearing the Hydrotris(3,5-diisopropylpyrazolyl)borato Ligand (TpiPr2)","Organometallics","2002","21","18","3762","","10.1021/om020268u","","","0.71069","MoKα","","0.4142","0.1247","","","0.2245","0.3088","","","","","","0.745","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076900","35.1213","0.0015","9.5247","0.0003","24.0016","0.0012","90","","115.634","0.001","90","","7238.8","0.5","213","2","213","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","TpiPr2Co-OSiMe3","","","- C30 H55 B Co N6 O Si -","- C30 H55 B Co N6 O Si -","- C240 H440 B8 Co8 N48 O8 Si8 -","8","1","","Yoshimitsu, Shin-ichi; Hikichi, Shiro; Akita, Munetaka","Synthesis and Characterization of Coordinatively Unsaturated Alkynyl- and Aryl-Cobalt Complexes with 15 Valence Electrons, TpiPr2Co−R, Bearing the Hydrotris(3,5-diisopropylpyrazolyl)borato Ligand (TpiPr2)","Organometallics","2002","21","18","3762","","10.1021/om020268u","","","0.71069","MoKα","","0.0842","0.0632","","","0.1629","0.1723","","","","","","1.046","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076901","11.978","0.003","19.115","0.004","26.35","0.006","90","","92.035","0.004","90","","6029","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H89 B12 Er Na3 Si6 -","- C39 H89 B12 Er Na3 Si6 -","- C156 H356 B48 Er4 Na12 Si24 -","4","1","","Wang, Jianhui; Li, Shoujian; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Novel Lanthanocene Analogues of “Carbons Apart” Erba- and Dysprosacarboranes: Synthetic and Structural Investigation","Organometallics","2002","21","16","3314","","10.1021/om020269m","","","0.71073","MoKα","","0.0774","0.077","","","0.1594","0.1596","","","","","","1.561","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076902","11.98","0.003","19.16","0.005","26.411","0.007","90","","91.89","0.005","90","","6059","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H89 B12 Dy Na3 Si6 -","- C39 H89 B12 Dy Na3 Si6 -","- C156 H356 B48 Dy4 Na12 Si24 -","4","1","","Wang, Jianhui; Li, Shoujian; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Novel Lanthanocene Analogues of “Carbons Apart” Erba- and Dysprosacarboranes: Synthetic and Structural Investigation","Organometallics","2002","21","16","3314","","10.1021/om020269m","","","0.71073","MoKα","","0.061","0.0596","","","0.1225","0.1229","","","","","","1.49","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076903","9.2109","0.0006","16.4715","0.0011","11.7973","0.0008","90","","101.217","0.001","90","","1755.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H23 B4 Co Fe O3 -","- C13 H23 B4 Co Fe O3 -","- C52 H92 B16 Co4 Fe4 O12 -","4","1","","Peldo, Melanie A.; Beatty, Alicia M.; Fehlner, Thomas P.","Routes to Compounds Containing M−B Bonds. Reaction of [Cp*FeH2]2with BH3·THF, Yielding the Hydrogen-Richarachno-Ferrapentaborane 1-Cp*FeB4H11(Cp* = η5-C5Me5)","Organometallics","2002","21","14","2821","","10.1021/om020273y","","","0.71073","MoKα","","0.0394","0.037","","","0.0915","0.093","","","","","","1.049","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076904","7.6329","0.0004","18.013","0.0008","14.7402","0.0007","90","","98.927","0.002","90","","2002.1","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Fe N5 O4 P -","- C17 H18 Fe N5 O4 P -","- C68 H72 Fe4 N20 O16 P4 -","4","1","","Palazzi, Antonio; Stagni, Stefano; Bordoni, Silvia; Monari, Magda; Selva, Simona","Interannular Conjugation in New Iron(II) 5-Aryl Tetrazolate Complexes","Organometallics","2002","21","18","3774","","10.1021/om020283z","","","0.71073","MoKα","","0.113","0.0369","","","0.0811","0.095","","","","","","0.795","","","","has coordinates,has disorder","178658","2020-10-21","18:00:00","" "4076905","14.474","0.001","20.416","0.002","14.506","0.001","90","","109.285","0.007","90","","4046","0.6","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 B2 F12 Fe2 N4 O P2 -","- C40 H34 B2 F12 Fe2 N4 O P2 -","- C160 H136 B8 F48 Fe8 N16 O4 P8 -","4","1","","Ma, Kuangbiao; Fabrizi de Biani, Fabrizia; Bolte, Michael; Zanello, Piero; Wagner, Matthias","Electronic Communication in a Series of Novel Multistep Redox Systems","Organometallics","2002","21","19","3979","","10.1021/om020284r","","","0.71073","MoKα","","0.0546","0.0387","","","0.0883","0.0975","","","","","","1.009","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076906","8.562","0.002","9.563","0.002","22.721","0.004","94.006","0.008","99.315","0.008","114.027","0.008","1657.6","0.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H26 B2 F12 Fe N4 O2 P2 -","- C30 H26 B2 F12 Fe N4 O2 P2 -","- C60 H52 B4 F24 Fe2 N8 O4 P4 -","2","1","","Ma, Kuangbiao; Fabrizi de Biani, Fabrizia; Bolte, Michael; Zanello, Piero; Wagner, Matthias","Electronic Communication in a Series of Novel Multistep Redox Systems","Organometallics","2002","21","19","3979","","10.1021/om020284r","","","0.71073","MoKα","","0.2021","0.1127","","","0.2509","0.2977","","","","","","1.08","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076907","10.437","0.001","11.964","0.001","15.478","0.002","84.982","0.008","87.975","0.008","85.244","0.007","1917.9","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H33 B2 F6 Fe N5 O4 Si -","- C37 H33 B2 F6 Fe N5 O4 Si -","- C74 H66 B4 F12 Fe2 N10 O8 Si2 -","2","1","","Ma, Kuangbiao; Fabrizi de Biani, Fabrizia; Bolte, Michael; Zanello, Piero; Wagner, Matthias","Electronic Communication in a Series of Novel Multistep Redox Systems","Organometallics","2002","21","19","3979","","10.1021/om020284r","","","0.71073","MoKα","","0.0886","0.0731","","","0.2109","0.2189","","","","","","1.051","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076908","28.385","0.004","8.21","0.001","39.339","0.006","90","","93.34","0.01","90","","9152","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H45 B2 F12 Fe2 N5 O P2 -","- C46.01 H40 B2 F12 Fe2 N5 O1.01 P2 -","- C368.08 H320 B16 F96 Fe16 N40 O8.08 P16 -","8","1","","Ma, Kuangbiao; Fabrizi de Biani, Fabrizia; Bolte, Michael; Zanello, Piero; Wagner, Matthias","Electronic Communication in a Series of Novel Multistep Redox Systems","Organometallics","2002","21","19","3979","","10.1021/om020284r","","","0.71073","MoKα","","0.2661","0.1442","","","0.2987","0.3605","","","","","","1.034","","","","has coordinates,has disorder","178658","2020-10-21","18:00:00","" "4076909","10.625","0.002","13.657","0.003","18.456","0.004","70.39","0.01","81.34","0.02","69.83","0.01","2366.2","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H47 B2 F12 Fe N7 O2 P2 -","- C45 H47 B2 F12 Fe N7 O2 P2 -","- C90 H94 B4 F24 Fe2 N14 O4 P4 -","2","1","","Ma, Kuangbiao; Fabrizi de Biani, Fabrizia; Bolte, Michael; Zanello, Piero; Wagner, Matthias","Electronic Communication in a Series of Novel Multistep Redox Systems","Organometallics","2002","21","19","3979","","10.1021/om020284r","","","0.71073","MoKα","","0.245","0.0849","","","0.1746","0.2614","","","","","","0.711","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076910","8.8743","0.0017","10.6517","0.0014","12.7524","0.0018","78.978","0.011","70.686","0.013","73.034","0.012","1082.1","0.3","146","2","146","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H40 B2 F12 Fe N6 O2 P2 -","- C44 H40 B2 F12 Fe N6 O2 P2 -","- C44 H40 B2 F12 Fe N6 O2 P2 -","1","0.5","","Ma, Kuangbiao; Fabrizi de Biani, Fabrizia; Bolte, Michael; Zanello, Piero; Wagner, Matthias","Electronic Communication in a Series of Novel Multistep Redox Systems","Organometallics","2002","21","19","3979","","10.1021/om020284r","","","0.71073","MoKα","","0.0426","0.0335","","0.0943","0.0914","","","","1.543","1.62","1.62","","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076911","6.9682","0.0006","10.4874","0.0008","11.648","0.0012","79.185","0.003","84.411","0.005","74.069","0.004","803.04","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Ga N O5 W -","- C12 H16 Ga N O5 W -","- C24 H32 Ga2 N2 O10 W2 -","2","1","","Ueno, Keiji; Yamaguchi, Takeshi; Uchiyama, Kei; Ogino, Hiroshi","Synthesis and Structure of (OC)5W(η1-GaH3·(quinuclidine)): The First Gallane-Coordinated Transition-Metal Complex","Organometallics","2002","21","12","2347","","10.1021/om020288w","","","0.71073","MoKα","","0.0288","0.0276","","","0.0702","0.0719","","","","","","1.149","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076912","7.0727","0.0003","13.0378","0.0006","29.0898","0.0014","90","","90","","90","","2682.4","0.2","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H11 Cr N O3 S2 -","- C11 H11 Cr N O3 S2 -","- C88 H88 Cr8 N8 O24 S16 -","8","1","","Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Leung, Pak Hing","Synthetic and Structural Study of Cyclopentadienylchromium Dithiocarbamate Complexes and Their Thermolytic Derivatives","Organometallics","2002","21","21","4398","","10.1021/om0202930","","","0.71073","MoKα","","0.057","0.042","","","0.0889","0.094","","","","","","0.98","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076913","12.9368","0.0004","7.4045","0.0002","12.4458","0.0003","90","","96.459","0.001","90","","1184.62","0.06","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Cr N O2 S2 -","- C10 H11 Cr N O2 S2 -","- C40 H44 Cr4 N4 O8 S8 -","4","1","","Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Leung, Pak Hing","Synthetic and Structural Study of Cyclopentadienylchromium Dithiocarbamate Complexes and Their Thermolytic Derivatives","Organometallics","2002","21","21","4398","","10.1021/om0202930","","","0.71073","MoKα","","0.0444","0.0332","","","0.0721","0.0777","","","","","","1.075","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076914","11.14","0.0002","11.4572","0.0002","11.477","0.0001","90","","96.576","0.001","90","","1455.21","0.04","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Cr N O2 S2 -","- C12 H15 Cr N O2 S2 -","- C48 H60 Cr4 N4 O8 S8 -","4","1","","Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Leung, Pak Hing","Synthetic and Structural Study of Cyclopentadienylchromium Dithiocarbamate Complexes and Their Thermolytic Derivatives","Organometallics","2002","21","21","4398","","10.1021/om0202930","","","0.71073","MoKα","","0.0481","0.0345","","","0.0827","0.0907","","","","","","1.052","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076915","7.7263","0.0001","10.0947","0.0002","10.1584","0.0002","79.463","0.001","83.3","0.001","82.665","0.001","769.02","0.02","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 Cr N O2 S2 -","- C14 H19 Cr N O2 S2 -","- C28 H38 Cr2 N2 O4 S4 -","2","1","","Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Leung, Pak Hing","Synthetic and Structural Study of Cyclopentadienylchromium Dithiocarbamate Complexes and Their Thermolytic Derivatives","Organometallics","2002","21","21","4398","","10.1021/om0202930","","","0.71073","MoKα","","0.0342","0.0279","","","0.0708","0.0743","","","","","","1.036","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076916","10.3873","0.0007","19.5813","0.0013","11.1634","0.0007","90","","91.076","0.002","90","","2270.2","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Cr N O2 S -","- C10 H11 Cr N O2 S -","- C80 H88 Cr8 N8 O16 S8 -","8","2","","Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Leung, Pak Hing","Synthetic and Structural Study of Cyclopentadienylchromium Dithiocarbamate Complexes and Their Thermolytic Derivatives","Organometallics","2002","21","21","4398","","10.1021/om0202930","","","0.71073","MoKα","","0.0526","0.0435","","","0.1263","0.1304","","","","","","1.053","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076917","12.5009","0.0009","13.2552","0.0009","18.7306","0.0012","90","","93.444","0.002","90","","3098.1","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 Cr N O2 S -","- C14 H19 Cr N O2 S -","- C112 H152 Cr8 N8 O16 S8 -","8","2","","Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Leung, Pak Hing","Synthetic and Structural Study of Cyclopentadienylchromium Dithiocarbamate Complexes and Their Thermolytic Derivatives","Organometallics","2002","21","21","4398","","10.1021/om0202930","","","0.71073","MoKα","","0.1094","0.052","","","0.0948","0.1086","","","","","","0.828","","","","has coordinates,has disorder","178658","2020-10-21","18:00:00","" "4076918","9.7539","0.0003","50.869","0.002","21.1727","0.0009","90","","91.659","0.002","90","","10500.9","0.7","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H104 Cr16 N4 O S20 -","- C84 H104 Cr16 N4 O S20 -","- C336 H416 Cr64 N16 O4 S80 -","4","1","","Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Leung, Pak Hing","Synthetic and Structural Study of Cyclopentadienylchromium Dithiocarbamate Complexes and Their Thermolytic Derivatives","Organometallics","2002","21","21","4398","","10.1021/om0202930","","","0.71073","MoKα","","0.2367","0.1678","","","0.34","0.3728","","","","","","1.122","","","","has coordinates,has disorder","178658","2020-10-21","18:00:00","" "4076919","9.6283","0.0009","26.798","0.002","21.0638","0.0019","90","","99.133","0.004","90","","5366","0.8","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H64 Cr8 N2 S12 -","- C46 H64 Cr8 N2 S12 -","- C184 H256 Cr32 N8 S48 -","4","1","","Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Leung, Pak Hing","Synthetic and Structural Study of Cyclopentadienylchromium Dithiocarbamate Complexes and Their Thermolytic Derivatives","Organometallics","2002","21","21","4398","","10.1021/om0202930","","","0.71073","MoKα","","0.2821","0.1319","","","0.3047","0.3781","","","","","","0.959","","","","has coordinates,has disorder","178658","2020-10-21","18:00:00","" "4076920","13.0323","0.0006","21.6688","0.001","21.3389","0.001","90","","91.48","0.001","90","","6024","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H66 Cr8 N2 S12 -","- C51 H66 Cr8 N2 S12 -","- C204 H264 Cr32 N8 S48 -","4","1","","Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Leung, Pak Hing","Synthetic and Structural Study of Cyclopentadienylchromium Dithiocarbamate Complexes and Their Thermolytic Derivatives","Organometallics","2002","21","21","4398","","10.1021/om0202930","","","0.71073","MoKα","","0.1024","0.0527","","","0.1037","0.1193","","","","","","0.944","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076921","5.9268","0.0002","10.7263","0.0004","8.3862","0.0003","90","","97.171","0.002","90","","528.96","0.03","223","2","223","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H11 Cr N O2 -","- C10 H11 Cr N O2 -","- C20 H22 Cr2 N2 O4 -","2","0.5","","Goh, Lai Yoong; Weng, Zhiqiang; Hor, Andy T. S.; Leong, Weng Kee","Organometallic Radical-Initiated Carbon−Sulfur Bond Cleavage and Carbon−Carbon Coupling in Dithiocarbamate and Thiocarbenoid Cyclopentadienylchromium Complexes","Organometallics","2002","21","21","4408","","10.1021/om020294s","","","0.71073","MoKα","","0.0401","0.0369","","","0.0964","0.0981","","","","","","1.061","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076922","12.7127","0.0004","16.0862","0.0005","18.3629","0.0006","90","","90","","90","","3755.2","0.2","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H26 Cr N2 O3 -","- C18 H26 Cr N2 O3 -","- C144 H208 Cr8 N16 O24 -","8","1","","Goh, Lai Yoong; Weng, Zhiqiang; Hor, Andy T. S.; Leong, Weng Kee","Organometallic Radical-Initiated Carbon−Sulfur Bond Cleavage and Carbon−Carbon Coupling in Dithiocarbamate and Thiocarbenoid Cyclopentadienylchromium Complexes","Organometallics","2002","21","21","4408","","10.1021/om020294s","","","0.71073","MoKα","","0.0855","0.0537","","","0.1182","0.1312","","","","","","0.964","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076923","17.395","0.0015","10.6646","0.0009","14.7196","0.0013","90","","90","","90","","2730.6","0.4","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H34 Cr4 N O2 S2 -","- C28 H35 Cr4 N O2 S2 -","- C112 H140 Cr16 N4 O8 S8 -","4","0.5","","Goh, Lai Yoong; Weng, Zhiqiang; Hor, Andy T. S.; Leong, Weng Kee","Organometallic Radical-Initiated Carbon−Sulfur Bond Cleavage and Carbon−Carbon Coupling in Dithiocarbamate and Thiocarbenoid Cyclopentadienylchromium Complexes","Organometallics","2002","21","21","4408","","10.1021/om020294s","","","0.71073","MoKα","","0.1036","0.085","","","0.2066","0.217","","","","","","1.145","","","","has coordinates,has disorder","178658","2020-10-21","18:00:00","" "4076924","8.751","0.002","12.11","0.003","13.516","0.004","81.684","0.005","84.035","0.005","76.512","0.005","1374.5","0.6","213","2","213","2","","","","","","","","4","P -1","-P 1","2","1,2-trans-2,3-trans-4,5,6,7-Tetrachloro-1-(2,3,4,5-tetrachlorophenyl) -2-trichlorosilyl-3-(trichlorosilylmethyl)indane","1,2-trans-2,3-trans-4,5,6,7-Tetrachloro-1-(2,3,4,5-tetrachlorophenyl) -2-trichlorosilyl-3-(trichlorosilylmethyl)indane","","- C16 H6 Cl14 Si2 -","- C16 H6 Cl14 Si2 -","- C32 H12 Cl28 Si4 -","2","1","","Han, Joon Soo; Lim, Weon Cheol; Yoo, Bok Ryul; Jin, Jung-Il; Jung, Il Nam","Friedel−Crafts Alkylation of Polychlorobenzenes with (1,2-Dichloroethyl)trichlorosilane","Organometallics","2002","21","18","3803","","10.1021/om020296c","","","0.71073","MoKα","","0.0898","0.0492","","","0.1066","0.1217","","","","","","0.962","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076925","8.9103","0.0002","12.427","","13.7735","0.0001","81.629","0.001","84.5","0.001","76.363","0.001","1463.33","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,2-trans-2,3-trans-4,5,6,7-Tetrachloro-1-(2,3,4,5-tetrachlorophenyl) -2-trimethylsilyl-3-(trimethylsilylmethyl)indane","1,2-trans-2,3-trans-4,5,6,7-Tetrachloro-1-(2,3,4,5-tetrachlorophenyl) -2-trimethylsilyl-3-(trimethylsilylmethyl)indane","","- C22 H24 Cl8 Si2 -","- C22 H24 Cl8 Si2 -","- C44 H48 Cl16 Si4 -","2","1","","Han, Joon Soo; Lim, Weon Cheol; Yoo, Bok Ryul; Jin, Jung-Il; Jung, Il Nam","Friedel−Crafts Alkylation of Polychlorobenzenes with (1,2-Dichloroethyl)trichlorosilane","Organometallics","2002","21","18","3803","","10.1021/om020296c","","","0.71073","MoKα","","0.074","0.0516","","","0.1262","0.1391","","","","","","1.046","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076926","8.3997","0.0002","11.3458","0.0003","11.4398","0.0003","68.453","0.001","84.31","0.001","85.678","0.002","1008.15","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,3-cis-4,5,6,7-Tetrachloro-1-(silylmethyl)-3-(2,3,4,5-tetrachlorophenyl)indane","1,3-cis-4,5,6,7-Tetrachloro-1-(silylmethyl)-3-(2,3,4,5-tetrachlorophenyl)indane","","- C16 H10 Cl8 Si -","- C16 H10 Cl8 Si -","- C32 H20 Cl16 Si2 -","2","1","","Han, Joon Soo; Lim, Weon Cheol; Yoo, Bok Ryul; Jin, Jung-Il; Jung, Il Nam","Friedel−Crafts Alkylation of Polychlorobenzenes with (1,2-Dichloroethyl)trichlorosilane","Organometallics","2002","21","18","3803","","10.1021/om020296c","","","0.71073","MoKα","","0.0796","0.0631","","","0.1661","0.1804","","","","","","1.045","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076927","18.2618","0.0017","11.2602","0.001","21.324","0.002","90","","111.454","0.002","90","","4081.1","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H76 B20 Cl N8 Na Yb2 -","- C60 H76 B20 Cl N8 Na Yb2 -","- C120 H152 B40 Cl2 N16 Na2 Yb4 -","2","0.5","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Lanthanacarboranes Incorporating “Carbons-Adjacent”nido- andarachno-Carborane Anions of the C2B10System","Organometallics","2002","21","16","3464","","10.1021/om020299p","","","0.71073","MoKα","","0.0623","0.0473","","","0.1283","0.1361","","","","","","1.086","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076928","13.6877","0.0014","16.7443","0.0018","33.639","0.004","90","","93.266","0.002","90","","7697.2","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H54 B10 Cl Er O3.5 -","- C31 H54 B10 Cl Er O3.5 -","- C248 H432 B80 Cl8 Er8 O28 -","8","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Lanthanacarboranes Incorporating “Carbons-Adjacent”nido- andarachno-Carborane Anions of the C2B10System","Organometallics","2002","21","16","3464","","10.1021/om020299p","","","0.71073","MoKα","","0.1024","0.0935","","","0.1926","0.1963","","","","","","1.328","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076929","11.0248","0.0008","12.6742","0.0009","14.2151","0.001","94.766","0.002","99.653","0.002","110.678","0.001","1810.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H50 B11 Nd O3.5 -","- C24 H50 B11 Nd O3.5 -","- C48 H100 B22 Nd2 O7 -","2","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Lanthanacarboranes Incorporating “Carbons-Adjacent”nido- andarachno-Carborane Anions of the C2B10System","Organometallics","2002","21","16","3464","","10.1021/om020299p","","","0.71073","MoKα","","0.1177","0.0715","","","0.1815","0.2093","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076930","11.7751","0.0009","24.9675","0.0019","13.3708","0.0009","90","","102.54","0.002","90","","3837.2","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H108 B20 Gd Li5 O9 -","- C56 H108 B20 Gd Li5 O9 -","- C112 H216 B40 Gd2 Li10 O18 -","2","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Lanthanacarboranes Incorporating “Carbons-Adjacent”nido- andarachno-Carborane Anions of the C2B10System","Organometallics","2002","21","16","3464","","10.1021/om020299p","","","0.71073","MoKα","","0.1363","0.0961","","","0.2231","0.2454","","","","","","0.955","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076931","11.7437","0.0018","24.878","0.004","13.357","0.002","90","","102.386","0.004","90","","3811.5","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C60 H116 B20 Er Li5 O10 -","- C58.15 H112.3 B20 Er Li5 O9.34 -","- C116.3 H224.6 B40 Er2 Li10 O18.68 -","2","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Lanthanacarboranes Incorporating “Carbons-Adjacent”nido- andarachno-Carborane Anions of the C2B10System","Organometallics","2002","21","16","3464","","10.1021/om020299p","","","0.71073","MoKα","","0.1731","0.074","","","0.1493","0.1878","","","","","","0.882","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076932","19.1538","0.001","20.9968","0.0011","21.1095","0.0011","113.218","0.001","106.026","0.001","93.344","0.001","7363.3","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C176 H336 B80 Er4 Na20 O24 -","- C176 H336 B80 Er4 Na19 O24 -","- C176 H336 B80 Er4 Na19 O24 -","1","0.5","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Lanthanacarboranes Incorporating “Carbons-Adjacent”nido- andarachno-Carborane Anions of the C2B10System","Organometallics","2002","21","16","3464","","10.1021/om020299p","","","0.71073","MoKα","","0.1229","0.079","","","0.2375","0.2688","","","","","","0.998","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076933","6.195","0.003","41.882","0.012","11.053","0.003","90","","95.84","0.03","90","","2852.9","1.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 3b","","","- C34 H32 Fe O4 Os -","- C34 H32 Fe O4 Os -","- C136 H128 Fe4 O16 Os4 -","4","1","","Lindner, Ekkehard; Ayasse, Christoph S.; Eichele, Klaus; Steimann, Manfred","Macrocyclic Di- and Tetranuclear Osmacycloferrocenophanes†,1","Organometallics","2002","21","20","4217","","10.1021/om020310l","","","0.71073","MoKα","","0.043","0.0361","","","0.0839","0.0902","","","","","","1.192","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076934","6.2833","0.0017","16.437","0.003","29.161","0.004","90","","92.244","0.017","90","","3009.4","1.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound 3c * 0.5CH2Cl2","","","- C34.5 H33 Cl Fe O4 Os -","- C34.5 H33 Cl Fe O4 Os -","- C138 H132 Cl4 Fe4 O16 Os4 -","4","1","","Lindner, Ekkehard; Ayasse, Christoph S.; Eichele, Klaus; Steimann, Manfred","Macrocyclic Di- and Tetranuclear Osmacycloferrocenophanes†,1","Organometallics","2002","21","20","4217","","10.1021/om020310l","","","0.71073","MoKα","","0.0758","0.0463","","","0.0974","0.1091","","","","","","1.007","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25","" "4076935","8.857","0.002","11.944","0.003","31.81","0.008","90","","90","","90","","3365.1","1.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 3e","","","- C38 H40 Fe O4 Os -","- C38 H40 Fe O4 Os -","- C152 H160 Fe4 O16 Os4 -","4","1","","Lindner, Ekkehard; Ayasse, Christoph S.; Eichele, Klaus; Steimann, Manfred","Macrocyclic Di- and Tetranuclear Osmacycloferrocenophanes†,1","Organometallics","2002","21","20","4217","","10.1021/om020310l","","","0.71073","MoKα","","0.0296","0.0273","","","0.0668","0.0678","","","","","","1.072","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076936","14.646","0.004","12.629","0.007","32.278","0.009","90","","90","","90","","5970","4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","compound 4a","","","- C68 H64 Fe2 O8 Os2 -","- C68 H64 Fe2 O8 Os2 -","- C272 H256 Fe8 O32 Os8 -","4","0.5","","Lindner, Ekkehard; Ayasse, Christoph S.; Eichele, Klaus; Steimann, Manfred","Macrocyclic Di- and Tetranuclear Osmacycloferrocenophanes†,1","Organometallics","2002","21","20","4217","","10.1021/om020310l","","","0.71073","MoKα","","0.05","0.0308","","","0.0685","0.0756","","","","","","1.013","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076937","6.6774","0.0019","11.1945","0.0016","29.219","0.004","93.038","0.008","92.63","0.02","104.982","0.009","2102.9","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","compound 4h * n-hexane","","","- C90 H110 Fe2 O8 Os2 -","- C90 H110 Fe2 O8 Os2 -","- C90 H110 Fe2 O8 Os2 -","1","0.5","","Lindner, Ekkehard; Ayasse, Christoph S.; Eichele, Klaus; Steimann, Manfred","Macrocyclic Di- and Tetranuclear Osmacycloferrocenophanes†,1","Organometallics","2002","21","20","4217","","10.1021/om020310l","","","0.71073","MoKα","","0.1299","0.0666","","","0.1363","0.1621","","","","","","1.018","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076938","13.905","0.0003","18.4722","0.0003","15.533","0.0003","90","","97.246","0.001","90","","3957.88","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H52 B F4 Mo N3 -","- C39 H52 B F4 Mo N3 -","- C156 H208 B4 F16 Mo4 N12 -","4","1","","Adams, Christopher J.; Anderson, Kirsty M.; Bartlett, Ian M.; Connelly, Neil G.; Orpen, A. Guy; Paget, Timothy J.","Ligand-Induced and Reductively Induced Alkyne−Isocyanide Coupling Reactions of [Mo(CNBut)3(PhC⋮CPh)(η5-C5Me5)][BF4]","Organometallics","2002","21","16","3454","","10.1021/om020313y","","","0.71073","MoKα","","0.0681","0.0465","","","0.0931","0.1054","","","","","","1.096","","","","has coordinates,has disorder","178658","2020-10-21","18:00:00","" "4076939","10.9418","0.0014","19.072","0.003","18.935","0.002","90","","91.666","0.002","90","","3949.7","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H53 B F4 Mo N4 -","- C40 H53 B F4 Mo N4 -","- C160 H212 B4 F16 Mo4 N16 -","4","1","","Adams, Christopher J.; Anderson, Kirsty M.; Bartlett, Ian M.; Connelly, Neil G.; Orpen, A. Guy; Paget, Timothy J.","Ligand-Induced and Reductively Induced Alkyne−Isocyanide Coupling Reactions of [Mo(CNBut)3(PhC⋮CPh)(η5-C5Me5)][BF4]","Organometallics","2002","21","16","3454","","10.1021/om020313y","","","0.71073","MoKα","","0.0601","0.0393","","","0.0904","0.0948","","","","","","0.903","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076940","11.5888","0.001","16.8115","0.0015","39.321","0.003","90","","97.91","0.002","90","","7587.8","1.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H52 Mo N4 -","- C40 H52 Mo N4 -","- C320 H416 Mo8 N32 -","8","1","","Adams, Christopher J.; Anderson, Kirsty M.; Bartlett, Ian M.; Connelly, Neil G.; Orpen, A. Guy; Paget, Timothy J.","Ligand-Induced and Reductively Induced Alkyne−Isocyanide Coupling Reactions of [Mo(CNBut)3(PhC⋮CPh)(η5-C5Me5)][BF4]","Organometallics","2002","21","16","3454","","10.1021/om020313y","","","0.71073","MoKα","","0.0667","0.0606","","","0.129","0.1311","","","","","","1.306","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076941","10.566","0.002","16.005","0.003","25.61","0.006","90","","94.337","0.014","90","","4318.5","1.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H55 B Cl3 F4 Mo N3 -","- C40 H55 B Cl3 F4 Mo N3 -","- C160 H220 B4 Cl12 F16 Mo4 N12 -","4","1","","Adams, Christopher J.; Anderson, Kirsty M.; Bartlett, Ian M.; Connelly, Neil G.; Orpen, A. Guy; Paget, Timothy J.","Ligand-Induced and Reductively Induced Alkyne−Isocyanide Coupling Reactions of [Mo(CNBut)3(PhC⋮CPh)(η5-C5Me5)][BF4]","Organometallics","2002","21","16","3454","","10.1021/om020313y","","","0.71073","MoKα","","0.121","0.0533","","","0.1038","0.1245","","","","","","0.884","","","","has coordinates,has disorder","178658","2020-10-21","18:00:00","" "4076942","9.822","0.003","12.528","0.005","17.506","0.006","84.74","0.04","88.79","0.03","67.36","0.03","1979.5","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H55 B2 F8 Mo N3 -","- C39 H55 B2 F8 Mo N3 -","- C78 H110 B4 F16 Mo2 N6 -","2","1","","Adams, Christopher J.; Anderson, Kirsty M.; Bartlett, Ian M.; Connelly, Neil G.; Orpen, A. Guy; Paget, Timothy J.","Ligand-Induced and Reductively Induced Alkyne−Isocyanide Coupling Reactions of [Mo(CNBut)3(PhC⋮CPh)(η5-C5Me5)][BF4]","Organometallics","2002","21","16","3454","","10.1021/om020313y","","","0.71073","MoKα","","0.0967","0.0524","","","0.1023","0.1169","","","","","","0.923","","","","has coordinates,has disorder","178658","2020-10-21","18:00:00","" "4076943","8.847","0.0008","12.298","0.001","16.931","0.002","90","","105.145","0.001","90","","1778.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H30 B9 N3 Ti -","- C8 H30 B9 N3 Ti -","- C32 H120 B36 N12 Ti4 -","4","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Catalytic Property of Group 4 Metal Carborane Compounds with aiPr2NB-Bridged Constrained-Geometry Ligand","Organometallics","2002","21","19","3850","","10.1021/om020325j","","","0.71073","MoKα","","0.0554","0.0477","","","0.1533","0.1607","","","","","","1.038","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076944","9.4363","0.0008","15.829","0.001","10.5619","0.0008","90","","110.804","0.001","90","","1474.74","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H42 B11 N3 Zr -","- C21 H42 B11 N3 Zr -","- C42 H84 B22 N6 Zr2 -","2","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Catalytic Property of Group 4 Metal Carborane Compounds with aiPr2NB-Bridged Constrained-Geometry Ligand","Organometallics","2002","21","19","3850","","10.1021/om020325j","","","0.71073","MoKα","","0.0236","0.0228","","","0.0665","0.0671","","","","","","1.041","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076945","12.8","0.004","14.624","0.005","17.632","0.006","84.342","0.006","71.524","0.005","64.114","0.005","2813.2","1.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C49.5 H36 Cl3 Mo2 N0 O8.5 S3 Sn3 -","- C49.5 H35 Cl3 Mo2 O8.5 S3 Sn3 -","- C99 H70 Cl6 Mo4 O17 S6 Sn6 -","2","1","","Tang, Liang-Fu; Chai, Jian-Fang; Wang, Zhi-Hong; Jia, Wen-Li; Wang, Ji-Tao","Unexpected Formation of the Novel Pentanuclear Heterodimetallic Metallamacrocycle {p-[(CO)3MoC5H4C(O)]2C6H4}Ph4Sn3S3","Organometallics","2002","21","17","3675","","10.1021/om0203274","","","0.71073","MoKα","","0.0817","0.0415","","","0.0859","0.0982","","","","","","0.965","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076946","12.421","0.0005","12.603","0.0007","17.924","0.0006","90","","90","","90","","2805.9","0.2","110","2","110","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C24 H45 B3 O6 -","- C24.096 H45.144 B3 O6 -","- C96.384 H180.576 B12 O24 -","4","","","Ali, Hijazi Abu; El Aziz Al Quntar, Abed; Goldberg, Israel; Srebnik, Morris","Platinum(0)-Catalyzed Diboration of Alkynylboronates and Alkynylphosphonates with Bis(pinacolato)diborane(4): Molecular Structures of [((Me4C2O2)B)(C6H5)CC(P(O)(OC2H5)2)(B(O2C2Me4))] and [((Me4C2O2)B)(C4H9)CC(B(O2C2Me4))2]","Organometallics","2002","21","21","4533","","10.1021/om020334s","","","0.71073","MoKα","","0.1063","0.0618","","","0.1108","0.1341","","","","","","1.081","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076947","10.284","0.0002","11.917","0.0002","21.77","0.0005","90","","90","","90","","2668.01","0.09","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H39 B2 O7 P -","- C24 H39 B2 O7 P -","- C96 H156 B8 O28 P4 -","4","1","","Ali, Hijazi Abu; El Aziz Al Quntar, Abed; Goldberg, Israel; Srebnik, Morris","Platinum(0)-Catalyzed Diboration of Alkynylboronates and Alkynylphosphonates with Bis(pinacolato)diborane(4): Molecular Structures of [((Me4C2O2)B)(C6H5)CC(P(O)(OC2H5)2)(B(O2C2Me4))] and [((Me4C2O2)B)(C4H9)CC(B(O2C2Me4))2]","Organometallics","2002","21","21","4533","","10.1021/om020334s","","","0.71073","MoKα","","0.0877","0.058","","","0.1407","0.1599","","","","","","0.998","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25","" "4076948","17.355","0.007","8.359","0.003","20.938","0.008","90","","110.701","0.004","90","","2841.4","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 N2 Ru S -","- C34 H32 N2 Ru S -","- C136 H128 N8 Ru4 S4 -","4","1","","Takemoto, Shin; Kawamura, Harumi; Yamada, Yoshiaki; Okada, Takayoshi; Ono, Atsushi; Yoshikawa, Eri; Mizobe, Yasushi; Hidai, Masanobu","Ruthenium Complexes Containing Bis(diarylamido)/Thioether Ligands: Synthesis and Their Catalysis for the Hydrogenation of Benzonitrile","Organometallics","2002","21","19","3897","","10.1021/om020340o","","","0.7107","MoKα","","0.0879","0.0615","","","0.1005","0.1078","","","","","","1.171","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076949","34.251","0.002","8.7147","0.0004","22.8057","0.0015","90","","100.658","0.003","90","","6689.8","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H21 Cl F12 N2 Ru S -","- C34.5 H20 Cl F12 N2 Ru S -","- C276 H160 Cl8 F96 N16 Ru8 S8 -","8","1","","Takemoto, Shin; Kawamura, Harumi; Yamada, Yoshiaki; Okada, Takayoshi; Ono, Atsushi; Yoshikawa, Eri; Mizobe, Yasushi; Hidai, Masanobu","Ruthenium Complexes Containing Bis(diarylamido)/Thioether Ligands: Synthesis and Their Catalysis for the Hydrogenation of Benzonitrile","Organometallics","2002","21","19","3897","","10.1021/om020340o","","","0.7107","MoKα","","0.0563","0.0473","","","0.1076","0.1118","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076950","12.44","0.003","16.292","0.004","19.821","0.005","90","","112.051","0.003","90","","3723.3","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H53 N2 P3 Ru S -","- C37 H53 N2 P3 Ru S -","- C148 H212 N8 P12 Ru4 S4 -","4","1","","Takemoto, Shin; Kawamura, Harumi; Yamada, Yoshiaki; Okada, Takayoshi; Ono, Atsushi; Yoshikawa, Eri; Mizobe, Yasushi; Hidai, Masanobu","Ruthenium Complexes Containing Bis(diarylamido)/Thioether Ligands: Synthesis and Their Catalysis for the Hydrogenation of Benzonitrile","Organometallics","2002","21","19","3897","","10.1021/om020340o","","","0.7107","MoKα","","0.0691","0.0464","","","0.1058","0.1141","","","","","","1.047","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076951","17.236","0.006","11.625","0.004","18.245","0.006","90","","108.639","0.004","90","","3464","2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C34 H48 N4 P2 Ru S -","- C34 H44 N4 P2 Ru S -","- C136 H176 N16 P8 Ru4 S4 -","4","1","","Takemoto, Shin; Kawamura, Harumi; Yamada, Yoshiaki; Okada, Takayoshi; Ono, Atsushi; Yoshikawa, Eri; Mizobe, Yasushi; Hidai, Masanobu","Ruthenium Complexes Containing Bis(diarylamido)/Thioether Ligands: Synthesis and Their Catalysis for the Hydrogenation of Benzonitrile","Organometallics","2002","21","19","3897","","10.1021/om020340o","","","0.7107","MoKα","","0.0769","0.0502","","","0.1062","0.1152","","","","","","1.062","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076952","14.466","0.004","21.312","0.006","16.09","0.005","90","","103.387","0.004","90","","4826","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H65 N4 O P2 Ru S -","- C47 H52 N4 O P2 Ru S -","- C188 H208 N16 O4 P8 Ru4 S4 -","4","1","","Takemoto, Shin; Kawamura, Harumi; Yamada, Yoshiaki; Okada, Takayoshi; Ono, Atsushi; Yoshikawa, Eri; Mizobe, Yasushi; Hidai, Masanobu","Ruthenium Complexes Containing Bis(diarylamido)/Thioether Ligands: Synthesis and Their Catalysis for the Hydrogenation of Benzonitrile","Organometallics","2002","21","19","3897","","10.1021/om020340o","","","0.7107","MoKα","","0.0983","0.0621","","","0.145","0.1606","","","","","","1.049","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076953","10.4645","0.0001","12.0732","0.0001","17.3518","0.0002","97.124","0.001","93.237","0.001","98.381","0.001","2145.86","0.04","203","2","203","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H42 B Cl3 N2 O2 Os P2 -","- C45 H42 B Cl3 N2 O2 Os P2 -","- C90 H84 B2 Cl6 N4 O4 Os2 P4 -","2","1","","Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James","Tethered Boryl and Base-Stabilized Borylene Osmium Complexes from the Reaction of Os(BCl2)Cl(CO)(PPh3)2with 2-Aminopyridine","Organometallics","2002","21","22","4862","","10.1021/om0203431","","","0.71073","MoKα","","0.0426","0.0325","","","0.0722","0.0834","","","","","","1.052","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076954","26.0038","0.0003","19.2065","0.0003","17.2856","0.0002","90","","100.016","0.001","90","","8501.58","0.19","203","2","203","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43.5 H37 B Br Cl4 N2 O Os P2 -","- C43.5 H37 B Br Cl4 N2 O Os P2 -","- C348 H296 B8 Br8 Cl32 N16 O8 Os8 P16 -","8","2","","Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James","Tethered Boryl and Base-Stabilized Borylene Osmium Complexes from the Reaction of Os(BCl2)Cl(CO)(PPh3)2with 2-Aminopyridine","Organometallics","2002","21","22","4862","","10.1021/om0203431","","","0.71073","MoKα","","0.0609","0.0474","","","0.1131","0.1226","","","","","","1.047","","","","has coordinates","301830","2025-08-20","13:17:25","" "4076955","12.657","0.0002","13.7582","0.0001","22.0517","0.0001","90","","105.297","0.001","90","","3703.98","0.07","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 B Cl N2 O Os P2 -","- C42 H36 B Cl N2 O Os P2 -","- C168 H144 B4 Cl4 N8 O4 Os4 P8 -","4","1","","Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James","Tethered Boryl and Base-Stabilized Borylene Osmium Complexes from the Reaction of Os(BCl2)Cl(CO)(PPh3)2with 2-Aminopyridine","Organometallics","2002","21","22","4862","","10.1021/om0203431","","","0.71073","MoKα","","0.0255","0.0213","","","0.0496","0.0517","","","","","","1.069","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076956","10.334","0.0001","27.6187","0.0003","12.9728","0.0002","90","","96.9","0.001","90","","3675.77","0.08","203","2","203","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 B Cl N2 O2 Os P2 -","- C42 H36 B Cl N2 O2 Os P2 -","- C168 H144 B4 Cl4 N8 O8 Os4 P8 -","4","1","","Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James","Tethered Boryl and Base-Stabilized Borylene Osmium Complexes from the Reaction of Os(BCl2)Cl(CO)(PPh3)2with 2-Aminopyridine","Organometallics","2002","21","22","4862","","10.1021/om0203431","","","0.71073","MoKα","","0.0299","0.025","","","0.0508","0.0523","","","","","","1.171","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076957","12.6292","0.0001","13.774","0.0001","15.402","0.0001","80.715","0.001","77.679","0.001","80.49","0.001","2559.37","0.03","203","2","203","2","","","","","","","","9","P -1","-P 1","2","","","","- C50 H51 B F6 N3 O4 Os P2 Sb -","- C50 H51 B F6 N3 O4 Os P2 Sb -","- C100 H102 B2 F12 N6 O8 Os2 P4 Sb2 -","2","1","","Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James","Tethered Boryl and Base-Stabilized Borylene Osmium Complexes from the Reaction of Os(BCl2)Cl(CO)(PPh3)2with 2-Aminopyridine","Organometallics","2002","21","22","4862","","10.1021/om0203431","","","0.71073","MoKα","","0.0362","0.0315","","","0.0819","0.0865","","","","","","0.914","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076958","9.3471","0.0005","12.4256","0.0006","16.8918","0.0008","83.745","0.001","85.689","0.001","75.116","0.001","1882.48","0.16","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H38 B Cl N2 O Os P2 -","- C43 H38 B Cl N2 O Os P2 -","- C86 H76 B2 Cl2 N4 O2 Os2 P4 -","2","1","","Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James","Tethered Boryl and Base-Stabilized Borylene Osmium Complexes from the Reaction of Os(BCl2)Cl(CO)(PPh3)2with 2-Aminopyridine","Organometallics","2002","21","22","4862","","10.1021/om0203431","","","0.71073","MoKα","","0.034","0.027","","","0.0567","0.0598","","","","","","1.047","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076959","13.1","0.003","15.117","0.003","18.277","0.004","78.967","0.004","78.807","0.004","74.136","0.004","3378.5","1.3","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H102 Li2 N6 O -","- C72 H102 Li2 N6 O -","- C144 H204 Li4 N12 O2 -","2","1","","Khorobkov, Ilia; Gambarotta, Sandro; Yap, Glenn P. A.; Budzelaar, Peter H. M.","Reversible Alkylation at the Pyridine Nitrogen in aα,α-Diimine Pyridine Ligand System","Organometallics","2002","21","15","3088","","10.1021/om020349q","","","0.71073","MoKα","","0.1289","0.0776","","","0.155","0.1786","","","","","","1.074","","","","has coordinates","302124","2025-09-12","17:46:22","" "4076960","10.8426","0.0014","18.683","0.003","18.701","0.003","90","","90.784","0.002","90","","3787.9","1","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40.5 H54 Li N3 O -","- C40.5 H54 Li N3 O -","- C162 H216 Li4 N12 O4 -","4","1","","Khorobkov, Ilia; Gambarotta, Sandro; Yap, Glenn P. A.; Budzelaar, Peter H. M.","Reversible Alkylation at the Pyridine Nitrogen in aα,α-Diimine Pyridine Ligand System","Organometallics","2002","21","15","3088","","10.1021/om020349q","","","0.71073","MoKα","","0.1211","0.07","","","0.1926","0.2222","","","","","","1.008","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25","" "4076961","13.156","0.012","12.522","0.012","18.591","0.018","92.81","0.03","99.81","0.03","93.73","0.03","3006","5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","[Cp*Ru(PEt3)2][BAr'4] - compound no. 1","bis(tri-ethylphosphino)-(eta$5!-pentamethyl-cyclopentadienyl) ruthenium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C54 H57 B F24 P2 Ru -","- C51.85 H27 B F24 P2 Ru -","- C103.7 H54 B2 F48 P4 Ru2 -","2","1","","Aneetha, Halikhedkar; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro; Sapunov, Valentin N.; Schmid, Roland; Kirchner, Karl; Mereiter, Kurt","Coordinatively Unsaturated Ruthenium Phosphine Half-Sandwich Complexes: Correlations to Structure and Reactivity","Organometallics","2002","21","24","5334","","10.1021/om020359r","","","0.71073","MoKα","","0.1264","0.1104","","","0.3256","0.3483","","","","","","1.51","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076962","12.597","0.006","12.946","0.006","18.967","0.009","95.4","0.02","99.62","0.02","92.78","0.02","3030","2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","[Cp*Ru(dippe)][BAr'4] - compound no. 2","(bis-(di-isopropylphosphino)-ethane)-(eta$5!-pentamethyl-cyclopentadienyl) ruthenium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C56 H59 B F24 P2 Ru -","- C56 H59 B F24 P2 Ru0.9904 -","- C112 H118 B2 F48 P4 Ru1.9808 -","2","1","","Aneetha, Halikhedkar; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro; Sapunov, Valentin N.; Schmid, Roland; Kirchner, Karl; Mereiter, Kurt","Coordinatively Unsaturated Ruthenium Phosphine Half-Sandwich Complexes: Correlations to Structure and Reactivity","Organometallics","2002","21","24","5334","","10.1021/om020359r","","","0.71073","MoKα","","0.0665","0.0538","","","0.1433","0.1566","","","","","","1.027","","","","has coordinates,has disorder","178658","2020-10-21","18:00:00","" "4076963","12.474","0.005","18.974","0.008","13.003","0.005","90","","92.68","0.02","90","","3074","2","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Cp*Ru(PMe(iPr)2)2][BAr'4] - compound no. 3","bis(di-isopropylmethylphosphino)-(eta$5!-pentamethyl-cyclopentadienyl) ruthenium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C56 H61 B F24 P2 Ru -","- C56 H61 B F24 P2 Ru -","- C112 H122 B2 F48 P4 Ru2 -","2","1","","Aneetha, Halikhedkar; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro; Sapunov, Valentin N.; Schmid, Roland; Kirchner, Karl; Mereiter, Kurt","Coordinatively Unsaturated Ruthenium Phosphine Half-Sandwich Complexes: Correlations to Structure and Reactivity","Organometallics","2002","21","24","5334","","10.1021/om020359r","","","0.71073","MoKα","","0.0679","0.0605","","","0.1684","0.1789","","","","","","1.022","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076964","12.83","0.012","58.17","0.06","20.348","0.019","90","","104.71","0.02","90","","14688","2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cp*Ru(eta6-PhF)][BAr'4] - compound no. 4","(eta$6!-fluorobenzene)-(eta$5!-pentamethyl-cyclopentadienyl) ruthenium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C48 H32 B F25 Ru -","- C48 H32.1052 B F24.8948 Ru -","- C576 H385.263 B12 F298.737 Ru12 -","12","3","","Aneetha, Halikhedkar; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro; Sapunov, Valentin N.; Schmid, Roland; Kirchner, Karl; Mereiter, Kurt","Coordinatively Unsaturated Ruthenium Phosphine Half-Sandwich Complexes: Correlations to Structure and Reactivity","Organometallics","2002","21","24","5334","","10.1021/om020359r","","","0.71073","MoKα","","0.0756","0.0643","","","0.1433","0.1496","","","","","","1.049","","","","has coordinates,has disorder","178658","2020-10-21","18:00:00","" "4076965","19.447","0.005","13.75","0.004","26.068","0.006","90","","107.42","0.02","90","","6651","3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cp*Ru(PEt3)3][BAr'4] - compound no. 7","tris(tri-ethylphosphino)-(eta$5!-pentamethyl-cyclopentadienyl) ruthenium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C60 H72 B F24 P3 Ru -","- C60 H72 B F24 P3 Ru -","- C240 H288 B4 F96 P12 Ru4 -","4","1","","Aneetha, Halikhedkar; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro; Sapunov, Valentin N.; Schmid, Roland; Kirchner, Karl; Mereiter, Kurt","Coordinatively Unsaturated Ruthenium Phosphine Half-Sandwich Complexes: Correlations to Structure and Reactivity","Organometallics","2002","21","24","5334","","10.1021/om020359r","","","0.71073","MoKα","","0.0677","0.0443","","","0.1071","0.1252","","","","","","1.023","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076966","12.284","0.003","15.105","0.004","36.404","0.009","90","","99.14","0.01","90","","6669","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cp*Ru(H)2(PPh(iPr)2)2][BAr'4] - compound no. 9","","","- C66 H67 B F24 P2 Ru -","- C66 H67 B F24 P2 Ru -","- C264 H268 B4 F96 P8 Ru4 -","4","1","","Aneetha, Halikhedkar; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro; Sapunov, Valentin N.; Schmid, Roland; Kirchner, Karl; Mereiter, Kurt","Coordinatively Unsaturated Ruthenium Phosphine Half-Sandwich Complexes: Correlations to Structure and Reactivity","Organometallics","2002","21","24","5334","","10.1021/om020359r","","","0.71073","MoKα","","0.0573","0.0445","","","0.1029","0.1105","","","","","","1.056","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076967","9.7864","0.0001","14.4313","0.0002","14.6391","0.0002","87.923","0.0005","80.9637","0.0006","87.5714","0.0005","2039.08","0.04","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 O16 P4 Ru4 -","- C26 H36 O16 P4 Ru4 -","- C52 H72 O32 P8 Ru8 -","2","1","","Shiu, Kom-Bei; Lee, Hong-Chan; Lee, Gene-Hsiang; Wang, Yu","Synthesis, Structures, and Solvent-Occlusion Properties of a Molecular Loop and a Molecular Square Using Tetracarbonyl- and Diphosphine-Ligated Diruthenium(I) as Building Blocks and Dicarboxylates as Linkers","Organometallics","2002","21","19","4013","","10.1021/om020360q","","","0.71073","MoKα","","0.0548","0.0414","","","0.1082","0.1189","","","","","","1.165","","","","has coordinates","192782","2020-10-21","18:00:00","" "4076968","13.3878","0.0001","21.4312","0.0002","15.3354","0.0002","90","","95.2705","0.0004","90","","4381.38","0.08","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25.5 H39 Cl3 O16 P4 Ru4 -","- C25.5 H39 Cl3 O16 P4 Ru4 -","- C102 H156 Cl12 O64 P16 Ru16 -","4","1","","Shiu, Kom-Bei; Lee, Hong-Chan; Lee, Gene-Hsiang; Wang, Yu","Synthesis, Structures, and Solvent-Occlusion Properties of a Molecular Loop and a Molecular Square Using Tetracarbonyl- and Diphosphine-Ligated Diruthenium(I) as Building Blocks and Dicarboxylates as Linkers","Organometallics","2002","21","19","4013","","10.1021/om020360q","","","0.71073","MoKα","","0.072","0.0457","","","0.1165","0.1386","","","","","","1.134","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25","" "4076969","13.489","0.0003","8.604","0.0002","17.746","0.0003","90","","97.852","0.0013","90","","2040.28","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cl2 O2 Sn -","- C20 H26 Cl2 O2 Sn -","- C80 H104 Cl8 O8 Sn4 -","4","1","","Jambor, Roman; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Brus, Jiří; Holčapek, Michal; Holeček, Jaroslav","Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands","Organometallics","2002","21","19","3996","","10.1021/om020361i","","","0.7107","MoKα","","0.0332","0.026","","","0.059","0.0617","","","","","","1.046","","","","has coordinates","198632","2020-10-21","18:00:00","" "4076970","13.909","0.0002","12.327","0.0001","14.626","0.0002","90","","106.567","0.0007","90","","2403.61","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 O2 Sn -","- C28 H28 O2 Sn -","- C112 H112 O8 Sn4 -","4","1","","Jambor, Roman; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Brus, Jiří; Holčapek, Michal; Holeček, Jaroslav","Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands","Organometallics","2002","21","19","3996","","10.1021/om020361i","","","0.7107","MoKα","","0.0256","0.0221","","","0.0537","0.0557","","","","","","1.052","","","","has coordinates","198632","2020-10-21","18:00:00","" "4076971","24.961","0.0001","25.659","0.0002","12.819","0.0002","90","","90","","90","","8210.24","0.15","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H23 Cl O2 Sn -","- C22 H23 Cl O2 Sn -","- C352 H368 Cl16 O32 Sn16 -","16","2","","Jambor, Roman; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Brus, Jiří; Holčapek, Michal; Holeček, Jaroslav","Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands","Organometallics","2002","21","19","3996","","10.1021/om020361i","","","0.7107","MoKα","","0.0412","0.0294","","","0.0701","0.0755","","","","","","1.055","","","","has coordinates","198632","2020-10-21","18:00:00","" "4076972","12.524","0.0002","12.524","0.0002","9.29","0.0002","90","","90","","120","","1261.92","0.04","150","2","150","2","","","","","","","","5","P 32","P 32","145","","","","- C16 H18 Cl2 O2 Sn -","- C16 H18 Cl2 O2 Sn -","- C48 H54 Cl6 O6 Sn3 -","3","1","","Jambor, Roman; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Brus, Jiří; Holčapek, Michal; Holeček, Jaroslav","Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands","Organometallics","2002","21","19","3996","","10.1021/om020361i","","","0.7107","MoKα","","0.0153","0.015","","","0.034","0.0341","","","","","","1.112","","","","has coordinates","198632","2020-10-21","18:00:00","" "4076973","9.551","0.0003","12.179","0.0003","12.647","0.0004","106.914","0.0018","99.294","0.0016","94.071","0.0019","1378.12","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Cl3 O2 Sn -","- C10 H13 Cl3 O2 Sn -","- C40 H52 Cl12 O8 Sn4 -","4","2","","Jambor, Roman; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Brus, Jiří; Holčapek, Michal; Holeček, Jaroslav","Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands","Organometallics","2002","21","19","3996","","10.1021/om020361i","","","0.7107","MoKα","","0.0282","0.0262","","","0.0673","0.0684","","","","","","1.093","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076974","17.87","0.0002","13.418","0.0002","11.379","0.0002","90","","90","","90","","2728.45","0.07","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H31 Cl5 O2 Sn -","- C23 H31 Cl5 O2 Sn -","- C92 H124 Cl20 O8 Sn4 -","4","1","","Jambor, Roman; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Brus, Jiří; Holčapek, Michal; Holeček, Jaroslav","Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands","Organometallics","2002","21","19","3996","","10.1021/om020361i","","","0.7107","MoKα","","0.0319","0.0278","","","0.0693","0.0714","","","","","","1.049","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076975","10.5482","0.0012","11.9641","0.0014","13.9946","0.0016","90","","100.052","0.003","90","","1739","0.3","173","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 F3 N2 O3 S -","- C17 H17 F3 N2 O3 S -","- C68 H68 F12 N8 O12 S4 -","4","1","","Vicente, José; Saura-Llamas, Isabel; Grünwald, Claus; Alcaraz, Carmen; Jones, Peter G.; Bautista, Delia","Palladium-Assisted Formation of Carbon−Carbon Bonds. Part 10.1Insertion Reactions of Isocyanides into the Pd−C Bond of Orthopalladated Primary Amines. Synthesis of 2-R-Aminoisoindolinium Salts (R =tBu, 2,6-Xylyl)","Organometallics","2002","21","17","3587","","10.1021/om020365n","","","0.71073","MoKα","","0.0705","0.039","","","0.0883","0.0967","","","","","","0.927","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076976","5.358","0.0003","10.0813","0.0006","13.6049","0.0008","80.825","0.005","82.462","0.004","76.751","0.004","702.73","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Br F N2 Pd -","- C12 H16 Br F N2 Pd -","- C24 H32 Br2 F2 N4 Pd2 -","2","1","","Vicente, José; Saura-Llamas, Isabel; Grünwald, Claus; Alcaraz, Carmen; Jones, Peter G.; Bautista, Delia","Palladium-Assisted Formation of Carbon−Carbon Bonds. Part 10.1Insertion Reactions of Isocyanides into the Pd−C Bond of Orthopalladated Primary Amines. Synthesis of 2-R-Aminoisoindolinium Salts (R =tBu, 2,6-Xylyl)","Organometallics","2002","21","17","3587","","10.1021/om020365n","","","0.71073","MoKα","","0.0241","0.0213","","","0.0488","0.05","","","","","","1.061","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076977","7.9207","0.0007","8.9482","0.0008","11.1669","0.0008","95.579","0.007","100.911","0.005","99.556","0.007","759.58","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Br2 N4 Pd -","- C32 H32 Br2 N4 Pd -","- C32 H32 Br2 N4 Pd -","1","0.5","","Vicente, José; Saura-Llamas, Isabel; Grünwald, Claus; Alcaraz, Carmen; Jones, Peter G.; Bautista, Delia","Palladium-Assisted Formation of Carbon−Carbon Bonds. Part 10.1Insertion Reactions of Isocyanides into the Pd−C Bond of Orthopalladated Primary Amines. Synthesis of 2-R-Aminoisoindolinium Salts (R =tBu, 2,6-Xylyl)","Organometallics","2002","21","17","3587","","10.1021/om020365n","","","0.71073","MoKα","","0.0329","0.0266","","0.0685","0.066","","","","1.161","1.204","1.204","","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076978","10.644","0.003","10.884","0.003","16.68","0.005","75.174","0.005","77.856","0.005","66.43","0.005","1699.4","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","dichloride[Bis(1-(2-(5-Methylfuryl)methylene)-2-(2-(5-methylfuryl)) benzimidazole)]cobalt(II)","","","- C36 H32 Cl2 Co N4 O4 -","- C36 H32 Cl2 Co N4 O4 -","- C72 H64 Cl4 Co2 N8 O8 -","2","1","","Sun, Wen-Hua; Shao, Changxing; Chen, Yong; Hu, Huaiming; Sheldon, Roger A.; Wang, Honggen; Leng, Xuebing; Jin, Xianglin","Controllable Supramolecular Assembly by π−π Interactions: Cobalt(II) and Copper(II) Complexes with Benzimidazole Derivatives","Organometallics","2002","21","21","4350","","10.1021/om020370r","","","0.71073","MoKα","","0.1297","0.051","","","0.0736","0.0935","","","","","","0.957","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076979","22.15","0.006","9.363","0.003","17.882","0.005","90","","115.561","0.005","90","","3345.6","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","dichloride[Bis(1-(2-(5-Methylfuryl)methylene)-2-(2-(5-methylfuryl))benzimidazo le)]copper(II)","","","- C36 H32 Cl2 Cu N4 O4 -","- C36 H32 Cl2 Cu N4 O4 -","- C144 H128 Cl8 Cu4 N16 O16 -","4","0.5","","Sun, Wen-Hua; Shao, Changxing; Chen, Yong; Hu, Huaiming; Sheldon, Roger A.; Wang, Honggen; Leng, Xuebing; Jin, Xianglin","Controllable Supramolecular Assembly by π−π Interactions: Cobalt(II) and Copper(II) Complexes with Benzimidazole Derivatives","Organometallics","2002","21","21","4350","","10.1021/om020370r","","","0.71073","MoKα","","0.0795","0.0395","","","0.0714","0.0807","","","","","","0.958","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076980","15.592","0.003","11.115","0.002","18.439","0.004","90","","111.89","0.03","90","","2965.2","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Dichloro[bis((1-(2-furyl)methylene)-2-(2-furyl)benzimidazole)]cobalt(II)","","","- C32 H24 Cl2 Co N4 O4 -","- C32 H24 Cl2 Co N4 O4 -","- C128 H96 Cl8 Co4 N16 O16 -","4","0.5","","Sun, Wen-Hua; Shao, Changxing; Chen, Yong; Hu, Huaiming; Sheldon, Roger A.; Wang, Honggen; Leng, Xuebing; Jin, Xianglin","Controllable Supramolecular Assembly by π−π Interactions: Cobalt(II) and Copper(II) Complexes with Benzimidazole Derivatives","Organometallics","2002","21","21","4350","","10.1021/om020370r","","","0.71073","MoKα","","0.2246","0.0547","","","0.1016","0.1299","","","","","","0.623","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076981","17.6084","0.001","18.1368","0.001","18.0899","0.001","90","","90.101","0.002","90","","5777.2","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H44 I N3 O0.5 Si Sm -","- C25 H48 I N3 O0.5 Si Sm -","- C200 H384 I8 N24 O4 Si8 Sm8 -","8","2","","Giesbrecht, Garth R.; Cui, Chunming; Shafir, Alexandr; Schmidt, Joseph A. R.; Arnold, John","Divalent Lanthanide Metal Complexes of a Triazacyclononane-Functionalized Tetramethylcyclopentadienyl Ligand: X-ray Crystal Structures of [C5Me4SiMe2(iPr2-tacn)]LnI (Ln = Sm, Yb; tacn = 1,4-Diisopropyl-1,4,7-triazacyclononane)","Organometallics","2002","21","18","3841","","10.1021/om020372b","","","0.71073","MoKα","","0.081","0.0527","","0.0952","0.0924","","","","1.606","1.838","1.838","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076982","17.8561","0.0009","16.5768","0.0008","18.0698","0.0009","90","0.001","90","0.001","90","0.001","5348.6","0.5","137.2","","137.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H44 I N3 Si Yb -","- C23 H44 I N3 Si Yb -","- C184 H352 I8 N24 Si8 Yb8 -","8","1","","Giesbrecht, Garth R.; Cui, Chunming; Shafir, Alexandr; Schmidt, Joseph A. R.; Arnold, John","Divalent Lanthanide Metal Complexes of a Triazacyclononane-Functionalized Tetramethylcyclopentadienyl Ligand: X-ray Crystal Structures of [C5Me4SiMe2(iPr2-tacn)]LnI (Ln = Sm, Yb; tacn = 1,4-Diisopropyl-1,4,7-triazacyclononane)","Organometallics","2002","21","18","3841","","10.1021/om020372b","","","0.7107","MoKα","","0.0644","0.021","","0.0308","0.021","0.021","","","","","","0.64","","","","has coordinates","176467","2020-10-21","18:00:00","" "4076983","12.4059","0.0002","13.3668","0.0002","14.7789","0.0003","89.2974","0.0005","84.6206","0.0005","83.6718","0.0006","2425.08","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H30 F20 P Pt2 S -","- C51 H30 F20 P Pt2 S -","- C102 H60 F40 P2 Pt4 S2 -","2","1","","Forniés, Juan; García, Ana; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Synthesis of Pt(II)−Pt(II) and Pt/Pd(II)−Pt(0) Monoalkynylphosphine Bridging Complexes","Organometallics","2002","21","18","3733","","10.1021/om020374w","","","0.7107","MoKα","","0.046","0.0309","","","0.0707","0.0748","","","","","","1.261","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076984","12.5657","0.0001","14.0831","0.0002","20.0108","0.0003","105.481","0.0007","93.336","0.0008","108.257","0.0006","3201.78","0.07","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C73 H55 Cl2 F10 P3 Pt2 S -","- C73 H55 Cl2 F10 P3 Pt2 S -","- C146 H110 Cl4 F20 P6 Pt4 S2 -","2","1","","Forniés, Juan; García, Ana; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Synthesis of Pt(II)−Pt(II) and Pt/Pd(II)−Pt(0) Monoalkynylphosphine Bridging Complexes","Organometallics","2002","21","18","3733","","10.1021/om020374w","","","0.7107","MoKα","","0.04","0.0318","","","0.077","0.08","","","","","","1.371","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076985","11.7382","0.0015","11.936","0.002","18.018","0.003","84.816","0.015","74.527","0.012","66.571","0.014","2232","0.7","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H65 Mg N5 Si2 Ti3 -","- C36 H62 Mg N5 Si2 Ti3 -","- C72 H124 Mg2 N10 Si4 Ti6 -","2","1","","Martín, Avelino; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Titanium−Group 2 Metal Molecular Nitrides","Organometallics","2002","21","16","3308","","10.1021/om020379t","","x-ray","0.71073","MoKα","","0.1599","0.0701","","","0.1767","0.2209","","","","","","0.955","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076986","14.533","0.002","15.471","0.006","16.626","0.008","90","0.005","90","0.005","90","0.005","3738","2","293","2","293","2","","","","","","","synthesis as described","5","P n m n","-P 2n 2n","58","","","","- C74 H110 Mg N8 Ti6 -","- C73 H64 Mg N8 Ti6 -","- C146 H128 Mg2 N16 Ti12 -","2","0.25","","Martín, Avelino; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Titanium−Group 2 Metal Molecular Nitrides","Organometallics","2002","21","16","3308","","10.1021/om020379t","","x-ray","0.71069","MoKα","","0.2099","0.0975","","","0.2568","0.3278","","","","","","0.981","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076987","15.09","0.002","15.357","0.002","16.789","0.002","90","","90","","90","","3890.6","0.9","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C74 H110 Ba N8 Ti6 -","- C74 H93.96 Ba N8 Ti6 -","- C148 H187.92 Ba2 N16 Ti12 -","2","0.25","","Martín, Avelino; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Titanium−Group 2 Metal Molecular Nitrides","Organometallics","2002","21","16","3308","","10.1021/om020379t","","","0.71073","MoKα","","0.2038","0.0824","","","0.2058","0.2605","","","","","","1.022","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076988","9.7317","0.0006","12.8158","0.0008","18.5065","0.0012","90","","103.138","0.003","90","","2247.7","0.2","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Br N4 Pd -","- C26 H21 Br N4 Pd -","- C104 H84 Br4 N16 Pd4 -","4","1","","Vicente, José; Abad, José-Antonio; Martínez-Viviente, Eloísa; Jones, Peter G.","Study of the Reactivity of 2-Acetyl-, 2-Cyano-, 2-Formyl-, and 2-Vinylphenyl Palladium(II) Complexes. Mono- and Triinsertion of an Isocyanide into the Pd−C Bond. A 2-Cyanophenyl Palladium Complex as a Ligand","Organometallics","2002","21","21","4454","","10.1021/om020380s","","","0.71073","MoKα","","0.0348","0.025","","","0.0611","0.0635","","","","","","1.027","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076989","16.1064","0.0018","8.1967","0.001","24.146","0.003","90","","108.072","0.003","90","","3030.5","0.6","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 Br N4 Pd -","- C34 H31 Br N4 Pd -","- C136 H124 Br4 N16 Pd4 -","4","1","","Vicente, José; Abad, José-Antonio; Martínez-Viviente, Eloísa; Jones, Peter G.","Study of the Reactivity of 2-Acetyl-, 2-Cyano-, 2-Formyl-, and 2-Vinylphenyl Palladium(II) Complexes. Mono- and Triinsertion of an Isocyanide into the Pd−C Bond. A 2-Cyanophenyl Palladium Complex as a Ligand","Organometallics","2002","21","21","4454","","10.1021/om020380s","","","0.71073","MoKα","","0.0608","0.0332","","","0.0665","0.0726","","","","","","0.931","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076990","11.9833","0.0008","14.923","0.0012","13.5773","0.001","90","","98.407","0.003","90","","2401.9","0.3","143","2","143","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C54 H49 F3 N3 O3 P Pd S -","- C54 H49 F3 N3 O3 P Pd S -","- C108 H98 F6 N6 O6 P2 Pd2 S2 -","2","1","","Vicente, José; Abad, José-Antonio; Martínez-Viviente, Eloísa; Jones, Peter G.","Study of the Reactivity of 2-Acetyl-, 2-Cyano-, 2-Formyl-, and 2-Vinylphenyl Palladium(II) Complexes. Mono- and Triinsertion of an Isocyanide into the Pd−C Bond. A 2-Cyanophenyl Palladium Complex as a Ligand","Organometallics","2002","21","21","4454","","10.1021/om020380s","","","0.71073","MoKα","","0.0339","0.0287","","","0.0603","0.0616","","","","","","1","","","","has coordinates,has disorder","178658","2020-10-21","18:00:00","" "4076991","8.1189","0.0006","11.4137","0.0008","21.9267","0.0014","95.774","0.003","92.752","0.003","98.372","0.003","1996","0.2","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.5 H44 Br Cl N4 O Pd -","- C44.5 H44 Br Cl N4 O Pd -","- C89 H88 Br2 Cl2 N8 O2 Pd2 -","2","1","","Vicente, José; Abad, José-Antonio; Martínez-Viviente, Eloísa; Jones, Peter G.","Study of the Reactivity of 2-Acetyl-, 2-Cyano-, 2-Formyl-, and 2-Vinylphenyl Palladium(II) Complexes. Mono- and Triinsertion of an Isocyanide into the Pd−C Bond. A 2-Cyanophenyl Palladium Complex as a Ligand","Organometallics","2002","21","21","4454","","10.1021/om020380s","","","0.71073","MoKα","","0.0343","0.0287","","","0.0708","0.0733","","","","","","1.05","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25","" "4076992","8.22","0.0006","11.7082","0.0008","21.7552","0.0014","83.784","0.003","87.266","0.003","70.898","0.003","1966.7","0.2","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H41 Br Cl N5 Pd -","- C43.5 H41 Br Cl N5 Pd -","- C87 H82 Br2 Cl2 N10 Pd2 -","2","1","","Vicente, José; Abad, José-Antonio; Martínez-Viviente, Eloísa; Jones, Peter G.","Study of the Reactivity of 2-Acetyl-, 2-Cyano-, 2-Formyl-, and 2-Vinylphenyl Palladium(II) Complexes. Mono- and Triinsertion of an Isocyanide into the Pd−C Bond. A 2-Cyanophenyl Palladium Complex as a Ligand","Organometallics","2002","21","21","4454","","10.1021/om020380s","","","0.71073","MoKα","","0.0449","0.0331","","","0.0757","0.0801","","","","","","1.024","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25","" "4076993","9.706","0.001","11.5432","0.0012","15.7993","0.0016","94.772","0.003","92.936","0.003","92.903","0.003","1759","0.3","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 Br2 N4 Pd2 -","- C36 H36 Br2 N4 Pd2 -","- C72 H72 Br4 N8 Pd4 -","2","1","","Vicente, José; Abad, José-Antonio; Martínez-Viviente, Eloísa; Jones, Peter G.","Study of the Reactivity of 2-Acetyl-, 2-Cyano-, 2-Formyl-, and 2-Vinylphenyl Palladium(II) Complexes. Mono- and Triinsertion of an Isocyanide into the Pd−C Bond. A 2-Cyanophenyl Palladium Complex as a Ligand","Organometallics","2002","21","21","4454","","10.1021/om020380s","","","0.71073","MoKα","","0.0421","0.0237","","","0.0565","0.0612","","","","","","0.975","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076994","12.3762","0.0008","20.5074","0.0014","19.8313","0.0012","90","","106.57","0.003","90","","4824.2","0.5","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H52 Br Cl2 N5 O Pd -","- C53 H52 Br Cl2 N5 O Pd -","- C212 H208 Br4 Cl8 N20 O4 Pd4 -","4","1","","Vicente, José; Abad, José-Antonio; Martínez-Viviente, Eloísa; Jones, Peter G.","Study of the Reactivity of 2-Acetyl-, 2-Cyano-, 2-Formyl-, and 2-Vinylphenyl Palladium(II) Complexes. Mono- and Triinsertion of an Isocyanide into the Pd−C Bond. A 2-Cyanophenyl Palladium Complex as a Ligand","Organometallics","2002","21","21","4454","","10.1021/om020380s","","","0.71073","MoKα","","0.0584","0.0393","","","0.1108","0.1202","","","","","","1.053","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076995","8.0966","0.0006","11.7951","0.0008","23.3677","0.0014","88.457","0.003","88.833","0.003","81.515","0.003","2206.1","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C45.5 H43.5 Cl1.5 F3 N4 O4 Pd S -","- C45.5 H43.5 Cl1.5 F3 N4 O4 Pd S -","- C91 H87 Cl3 F6 N8 O8 Pd2 S2 -","2","1","","Vicente, José; Abad, José-Antonio; Martínez-Viviente, Eloísa; Jones, Peter G.","Study of the Reactivity of 2-Acetyl-, 2-Cyano-, 2-Formyl-, and 2-Vinylphenyl Palladium(II) Complexes. Mono- and Triinsertion of an Isocyanide into the Pd−C Bond. A 2-Cyanophenyl Palladium Complex as a Ligand","Organometallics","2002","21","21","4454","","10.1021/om020380s","","","0.71073","MoKα","","0.0459","0.0381","","","0.1059","0.1109","","","","","","1.044","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076996","30.842","0.002","40.265","0.003","13.288","0.001","90","","90","","90","","16502","2","143","2","143","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C44 H40 F3 N5 O3 Pd S -","- C44 H40 F3 N5 O3 Pd S -","- C704 H640 F48 N80 O48 Pd16 S16 -","16","1","","Vicente, José; Abad, José-Antonio; Martínez-Viviente, Eloísa; Jones, Peter G.","Study of the Reactivity of 2-Acetyl-, 2-Cyano-, 2-Formyl-, and 2-Vinylphenyl Palladium(II) Complexes. Mono- and Triinsertion of an Isocyanide into the Pd−C Bond. A 2-Cyanophenyl Palladium Complex as a Ligand","Organometallics","2002","21","21","4454","","10.1021/om020380s","","","0.71073","MoKα","","0.0351","0.0276","","","0.0582","0.0605","","","","","","0.988","","","","has coordinates,has disorder","178658","2020-10-21","18:00:00","" "4076997","10.0477","0.0008","11.0958","0.0011","12.7645","0.0011","93.101","0.003","107.928","0.003","94.628","0.003","1344.9","0.2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H24 F3 O5 P Pd S -","- C27 H24 F3 O5 P Pd S -","- C54 H48 F6 O10 P2 Pd2 S2 -","2","1","","Vicente, José; Abad, José-Antonio; Martínez-Viviente, Eloísa; Jones, Peter G.","Study of the Reactivity of 2-Acetyl-, 2-Cyano-, 2-Formyl-, and 2-Vinylphenyl Palladium(II) Complexes. Mono- and Triinsertion of an Isocyanide into the Pd−C Bond. A 2-Cyanophenyl Palladium Complex as a Ligand","Organometallics","2002","21","21","4454","","10.1021/om020380s","","","0.71073","MoKα","","0.0257","0.022","","","0.0588","0.0605","","","","","","1.066","","","","has coordinates","178658","2020-10-21","18:00:00","" "4076998","10.7914","0.0008","24.809","0.002","26.892","0.002","90","","100.357","0.003","90","","7082.3","0.9","143","2","143","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C76 H57 Br2 F3 N3 O3 P3 Pd3 S -","- C76 H57 Br2 F3 N3 O3 P3 Pd3 S -","- C304 H228 Br8 F12 N12 O12 P12 Pd12 S4 -","4","1","","Vicente, José; Abad, José-Antonio; Martínez-Viviente, Eloísa; Jones, Peter G.","Study of the Reactivity of 2-Acetyl-, 2-Cyano-, 2-Formyl-, and 2-Vinylphenyl Palladium(II) Complexes. Mono- and Triinsertion of an Isocyanide into the Pd−C Bond. A 2-Cyanophenyl Palladium Complex as a Ligand","Organometallics","2002","21","21","4454","","10.1021/om020380s","","","0.71073","MoKα","","0.0654","0.0346","","","0.0625","0.0685","","","","","","0.949","","","","has coordinates,has disorder","178658","2020-10-21","18:00:00","" "4076999","13.1933","0.0011","13.266","0.0012","22.6061","0.0017","103.86","0.004","94.265","0.004","110.581","0.004","3541","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C85 H74 Cl2 O8 -","- C85 H74 Cl2 O8 -","- C170 H148 Cl4 O16 -","2","1","","Eisler, Dana; Hong, Wei; Jennings, Michael C.; Puddephatt, Richard J.","An Organometallic Octopus Complex: Structure and Properties of a Resorcinarene with 16 Cobalt Centers","Organometallics","2002","21","19","3955","","10.1021/om020394y","","","0.71073","MoKα","","0.0851","0.0501","","","0.1139","0.1261","","","","","","0.991","","","","has coordinates,has disorder","178658","2020-10-21","18:00:00","" "4077000","15.0144","0.0003","19.7712","0.0003","25.3065","0.0004","97.749","0.001","94.938","0.001","96.814","0.001","7351.2","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C138 H86 Co16 O56 -","- C138 H86 Co16 O56 -","- C276 H172 Co32 O112 -","2","1","","Eisler, Dana; Hong, Wei; Jennings, Michael C.; Puddephatt, Richard J.","An Organometallic Octopus Complex: Structure and Properties of a Resorcinarene with 16 Cobalt Centers","Organometallics","2002","21","19","3955","","10.1021/om020394y","","","0.71073","MoKα","","0.1089","0.0742","","","0.1819","0.2068","","","","","","1.019","","","","has coordinates,has disorder","178659","2020-10-21","18:00:00","" "4077001","12.542","0.0002","28.37","0.0005","14.6127","0.0003","90","","101.88","","90","","5088.07","0.16","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C46.5 H41.5 Cl1.5 F3 N O4 P2 Ru2 Sb0.5 -","- C46.5 H42 Cl1.5 F3 N O4 P2 Ru2 Sb0.5 -","- C186 H168 Cl6 F12 N4 O16 P8 Ru8 Sb2 -","4","1","","Zhang, Li-Yi; Chen, Jing-Lin; Shi, Lin-Xi; Chen, Zhong-Ning","Utilizing Diruthenium Components for the Design of Cyanide-Linked Tri- and Tetranuclear Organometallic Complexes with Multistep One-Electron Redox Processes","Organometallics","2002","21","26","5919","","10.1021/om0203983","","","0.71073","MoKα","","0.0771","0.0547","","","0.1679","0.1872","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077002","13.8348","0.0005","17.1541","0.0005","17.6275","0.0007","94.777","0.001","107.022","0.002","104.885","0.001","3808.7","0.2","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C77 H65 Cl2 F6 Fe N9 P2 Ru2 Sb -","- C77 H65 Cl2 F6 Fe N9 P2 Ru2 Sb -","- C154 H130 Cl4 F12 Fe2 N18 P4 Ru4 Sb2 -","2","1","","Zhang, Li-Yi; Chen, Jing-Lin; Shi, Lin-Xi; Chen, Zhong-Ning","Utilizing Diruthenium Components for the Design of Cyanide-Linked Tri- and Tetranuclear Organometallic Complexes with Multistep One-Electron Redox Processes","Organometallics","2002","21","26","5919","","10.1021/om0203983","","","0.71073","MoKα","","0.2073","0.1215","","","0.2668","0.3358","","","","","","1.187","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077003","13.7072","0.0002","18.5242","0.0003","34.9186","0.0001","90","","97.376","0.001","90","","8792.98","0.19","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C88 H75 Cl2 F6 N9 P2 Ru3 Sb -","- C88 H75 Cl2 F6 N9 P2 Ru3 Sb -","- C352 H300 Cl8 F24 N36 P8 Ru12 Sb4 -","4","1","","Zhang, Li-Yi; Chen, Jing-Lin; Shi, Lin-Xi; Chen, Zhong-Ning","Utilizing Diruthenium Components for the Design of Cyanide-Linked Tri- and Tetranuclear Organometallic Complexes with Multistep One-Electron Redox Processes","Organometallics","2002","21","26","5919","","10.1021/om0203983","","","0.71073","MoKα","","0.1443","0.0886","","","0.2102","0.2589","","","","","","1.228","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077004","12.4481","0.0004","18.0513","0.0005","18.085","0.0004","90.294","0.001","93.478","0.001","104.852","0.001","3919.88","0.19","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C80 H69 Cl4 F10 Fe N9 P2 Ru2 Sb -","- C80 H61 Cl4 F10 Fe N9 P2 Ru2 Sb -","- C160 H122 Cl8 F20 Fe2 N18 P4 Ru4 Sb2 -","2","1","","Zhang, Li-Yi; Chen, Jing-Lin; Shi, Lin-Xi; Chen, Zhong-Ning","Utilizing Diruthenium Components for the Design of Cyanide-Linked Tri- and Tetranuclear Organometallic Complexes with Multistep One-Electron Redox Processes","Organometallics","2002","21","26","5919","","10.1021/om0203983","","","0.71073","MoKα","","0.1627","0.104","","","0.2048","0.2558","","","","","","1.231","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077005","14.57","0.001","19.954","0.002","18.371","0.001","90","","91.129","0.001","90","","5340","0.7","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H70 Li N4 O4 Ta -","- C60 H70 Li N4 O4 Ta -","- C240 H280 Li4 N16 O16 Ta4 -","4","1","","Aharonian, Ghazar; Gambarotta, Sandro; Yap, Glenn P. A.","Tantalum Complexes of Diphenyldipyrrolide Dianion: Partial Hydrogenation of a Phenyl Ring","Organometallics","2002","21","20","4257","","10.1021/om020406f","","","0.71073","MoKα","","0.0449","0.0294","","","0.0663","0.073","","","","","","1.037","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077006","13.29","0.001","13.448","0.001","18.868","0.002","81.324","0.001","77.388","0.002","85.026","0.001","3248.1","0.5","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H78 N6 Na2 O3 Ta -","- C75 H78 N6 Na2 O3 Ta -","- C150 H156 N12 Na4 O6 Ta2 -","2","1","","Aharonian, Ghazar; Gambarotta, Sandro; Yap, Glenn P. A.","Tantalum Complexes of Diphenyldipyrrolide Dianion: Partial Hydrogenation of a Phenyl Ring","Organometallics","2002","21","20","4257","","10.1021/om020406f","","","0.71073","MoKα","","0.0413","0.034","","","0.0854","0.0868","","","","","","1.091","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077007","14.224","0.002","32.518","0.004","14.335","0.002","90","","112.804","0.009","90","","6112.2","1.5","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H80 Cl2 Li N4 O6 Ta -","- C66 H80 Cl2 Li N4 O6 Ta -","- C264 H320 Cl8 Li4 N16 O24 Ta4 -","4","1","","Aharonian, Ghazar; Gambarotta, Sandro; Yap, Glenn P. A.","Tantalum Complexes of Diphenyldipyrrolide Dianion: Partial Hydrogenation of a Phenyl Ring","Organometallics","2002","21","20","4257","","10.1021/om020406f","","","0.71073","MoKα","","0.0828","0.0471","","","0.0934","0.0993","","","","","","1.025","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077008","14.787","0.005","22.026","0.008","15.134","0.005","90","","90.331","0.007","90","","4929","3","236","2","236","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H62 Li4 N4 O3 -","- C54 H62 Li4 N4 O3 -","- C216 H248 Li16 N16 O12 -","4","1","","Aharonian, Ghazar; Gambarotta, Sandro; Yap, Glenn P. A.","Tantalum Complexes of Diphenyldipyrrolide Dianion: Partial Hydrogenation of a Phenyl Ring","Organometallics","2002","21","20","4257","","10.1021/om020406f","","","0.71073","MoKα","","0.1731","0.0711","","","0.1606","0.192","","","","","","1.026","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077009","8.551","0.003","11.671","0.003","19.577","0.006","86.697","0.002","80.432","0.003","74.575","0.003","1857","1","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H44 N4 Na O Ta -","- C46 H44 N4 Na O Ta -","- C92 H88 N8 Na2 O2 Ta2 -","2","1","","Aharonian, Ghazar; Gambarotta, Sandro; Yap, Glenn P. A.","Tantalum Complexes of Diphenyldipyrrolide Dianion: Partial Hydrogenation of a Phenyl Ring","Organometallics","2002","21","20","4257","","10.1021/om020406f","","","0.71073","MoKα","","0.0498","0.0384","","","0.0737","0.0767","","","","","","1.048","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077010","10.183","0.001","18.715","0.002","21.413","0.004","90","","95.11","0.01","90","","4064.6","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H45 Ir O P2 -","- C49 H45 Ir O P2 -","- C196 H180 Ir4 O4 P8 -","4","1","","Chin, Chong Shik; Lee, Hyungeui; Park, Hyeyun; Kim, Mieock","Synthesis of Cross-Conjugated Olefins from Alkynes: Regioselective C−C Bond Formation between Alkynes","Organometallics","2002","21","19","3889","","10.1021/om020410r","","","0.7107","MoKα","","0.0806","0.0486","","","0.1221","0.1578","","","","","","1.132","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077011","8.9913","0.0011","11.0332","0.0014","15.2867","0.0019","82.974","0.002","79.912","0.002","87.465","0.002","1481.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H54 F18 N4 O4 Zr2 -","- C64 H54 F18 N4 O4 Zr2 -","- C64 H54 F18 N4 O4 Zr2 -","1","0.5","","O'Connor, Paul E.; Berg, David J.; Barclay, Tosha","Photolytic Zirconium Benzyl Bond Cleavage and Subsequent Aryl C−F Activation in Zirconium Complexes of Fluorinated Aryl Diamides","Organometallics","2002","21","19","3947","","10.1021/om0204181","","","0.71073","MoKα","","0.0475","0.0313","","","0.0671","0.0707","","","","","","0.915","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077012","8.883","0.0018","10.415","0.002","13.156","0.003","83.147","0.004","74.269","0.004","82.043","0.004","1156","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 F10 N2 O2 Zr -","- C20 H18 F10 N2 O2 Zr -","- C40 H36 F20 N4 O4 Zr2 -","2","1","","O'Connor, Paul E.; Berg, David J.; Barclay, Tosha","Photolytic Zirconium Benzyl Bond Cleavage and Subsequent Aryl C−F Activation in Zirconium Complexes of Fluorinated Aryl Diamides","Organometallics","2002","21","19","3947","","10.1021/om0204181","","","0.71073","MoKα","","0.0607","0.0371","","","0.0716","0.0785","","","","","","0.922","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077013","13.655","0.011","10.678","0.008","21.348","0.017","90","","100.412","0.015","90","","3061","4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 K N P2 Si -","- C27 H34 K N P2 Si -","- C108 H136 K4 N4 P8 Si4 -","4","1","","Wang, Zhong-Xia; Li, Ye-Xin","Lithium, Potassium, and Tin(II) Complexes of Novel 3-(Iminophosphorano)-1-phosphaallyl and 2-(Iminophosphorano)-1-phosphaallyl Ligands","Organometallics","2002","21","22","4641","","10.1021/om020422c","","","0.71073","MoKα","","0.2344","0.0637","","","0.1395","0.1915","","","","","","0.794","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077014","10.655","0.003","17.776","0.005","21.218","0.006","103.262","0.006","97.354","0.006","94.27","0.005","3856.9","1.9","299","2","299","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H112 Li2 N2 O4 P4 Si4 -","- C33 H56 Li N O2 P2 Si2 -","- C132 H224 Li4 N4 O8 P8 Si8 -","4","2","","Wang, Zhong-Xia; Li, Ye-Xin","Lithium, Potassium, and Tin(II) Complexes of Novel 3-(Iminophosphorano)-1-phosphaallyl and 2-(Iminophosphorano)-1-phosphaallyl Ligands","Organometallics","2002","21","22","4641","","10.1021/om020422c","","","0.71073","MoKα","","0.2863","0.0556","","","0.0653","0.1081","","","","","","0.644","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077015","19.605","0.004","11.84","0.002","18.611","0.004","90","","96.58","0.003","90","","4291.6","1.5","299","2","299","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C38 H52 N2 P4 Si2 Sn -","- C38 H52 N2 P4 Si2 Sn -","- C152 H208 N8 P16 Si8 Sn4 -","4","1","","Wang, Zhong-Xia; Li, Ye-Xin","Lithium, Potassium, and Tin(II) Complexes of Novel 3-(Iminophosphorano)-1-phosphaallyl and 2-(Iminophosphorano)-1-phosphaallyl Ligands","Organometallics","2002","21","22","4641","","10.1021/om020422c","","","0.71073","MoKα","","0.0873","0.042","","","0.0584","0.0698","","","","","","0.877","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077016","14.4671","0.0003","17.686","0.0002","7.7624","0.0001","90","","90","","90","","1986.13","0.05","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H34 Cl2 Cu N4 O -","- C16 H34 Cl2 Cu N4 O -","- C64 H136 Cl8 Cu4 N16 O4 -","4","1","","Kozlowski, Marisa C.; Li, Xiaolin; Carroll, Patrick J.; Xu, Zhenrong","Copper(II) Complexes of Novel 1,5-Diaza-cis-decalin Diamine Ligands: An Investigation of Structure and Reactivity","Organometallics","2002","21","21","4513","","10.1021/om020425p","","","0.71069","MoKα","","0.0402","0.0376","","0.0827","0.0812","","","","1.082","1.087","1.087","","","","","has coordinates","301830","2025-08-20","13:17:25","" "4077017","11.2421","0.0001","20.6154","0.0002","9.5218","0.0001","90","","90","","90","","2206.78","0.04","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H34 Cu I2 N4 O -","- C16 H34 Cu I2 N4 O -","- C64 H136 Cu4 I8 N16 O4 -","4","1","","Kozlowski, Marisa C.; Li, Xiaolin; Carroll, Patrick J.; Xu, Zhenrong","Copper(II) Complexes of Novel 1,5-Diaza-cis-decalin Diamine Ligands: An Investigation of Structure and Reactivity","Organometallics","2002","21","21","4513","","10.1021/om020425p","","","0.71069","MoKα","","0.0345","0.0334","","0.0821","0.0813","","","","1.063","1.066","1.066","","","","","has coordinates","301830","2025-08-20","13:17:25","" "4077018","12.6921","0.0001","12.6921","0.0001","16.0685","0.0002","90","","90","","90","","2588.47","0.04","210","2","210","2","","","","","","","","7","P 42/m b c","-P 4c 2ab","135","","","","- C18 H32 Cu F6 N4 O6 S2 -","- C18 H32 Cu F6 N4 O6 S2 -","- C72 H128 Cu4 F24 N16 O24 S8 -","4","0.25","","Kozlowski, Marisa C.; Li, Xiaolin; Carroll, Patrick J.; Xu, Zhenrong","Copper(II) Complexes of Novel 1,5-Diaza-cis-decalin Diamine Ligands: An Investigation of Structure and Reactivity","Organometallics","2002","21","21","4513","","10.1021/om020425p","","","0.71069","MoKα","","0.0593","0.0579","","0.1324","0.1314","","","","1.166","1.168","1.168","","","","","has coordinates","301830","2025-08-20","13:17:25","" "4077019","14.245","0.0003","17.703","0.0004","8.4957","0.0002","90","","90","","90","","2142.44","0.08","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H32 B2 Cu F8 N4 -","- C16 H32 B2 Cu F8 N4 -","- C64 H128 B8 Cu4 F32 N16 -","4","1","","Kozlowski, Marisa C.; Li, Xiaolin; Carroll, Patrick J.; Xu, Zhenrong","Copper(II) Complexes of Novel 1,5-Diaza-cis-decalin Diamine Ligands: An Investigation of Structure and Reactivity","Organometallics","2002","21","21","4513","","10.1021/om020425p","","","0.71069","MoKα","","0.0489","0.0468","","0.1144","0.1127","","","","1.058","1.061","1.061","","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077020","20.776","0.003","20.776","0.003","13.728","0.002","90","","90","","120","","5131.7","1.3","143","2","143","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C8 H19 Cl Cu N2 O2 -","- C8 H19 Cl Cu N2 O2 -","- C144 H342 Cl18 Cu18 N36 O36 -","18","2","","Kozlowski, Marisa C.; Li, Xiaolin; Carroll, Patrick J.; Xu, Zhenrong","Copper(II) Complexes of Novel 1,5-Diaza-cis-decalin Diamine Ligands: An Investigation of Structure and Reactivity","Organometallics","2002","21","21","4513","","10.1021/om020425p","","","0.71069","MoKα","","0.028","0.0251","","0.053","0.052","","","","1.039","1.046","1.046","","","","","has coordinates","301830","2025-08-20","13:17:25","" "4077021","8.798","0.002","12.136","0.002","7.922","0.002","99.93","0.02","92.063","0.006","79.584","0.014","819.4","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H42 Cu2 F6 N4 O8 S2 -","- C22 H42 Cu2 F6 N4 O8 S2 -","- C22 H42 Cu2 F6 N4 O8 S2 -","1","0.5","","Kozlowski, Marisa C.; Li, Xiaolin; Carroll, Patrick J.; Xu, Zhenrong","Copper(II) Complexes of Novel 1,5-Diaza-cis-decalin Diamine Ligands: An Investigation of Structure and Reactivity","Organometallics","2002","21","21","4513","","10.1021/om020425p","","","0.71069","MoKα","","0.1276","0.1168","","0.3172","0.3047","","","","1.107","1.141","1.141","","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25","" "4077022","7.737","0.002","11.958","0.003","15.786","0.004","90","","90","","90","","1460.5","0.6","143","1","143","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H24 Cl2 Cu N2 -","- C12 H24 Cl2 Cu N2 -","- C48 H96 Cl8 Cu4 N8 -","4","0.5","","Kozlowski, Marisa C.; Li, Xiaolin; Carroll, Patrick J.; Xu, Zhenrong","Copper(II) Complexes of Novel 1,5-Diaza-cis-decalin Diamine Ligands: An Investigation of Structure and Reactivity","Organometallics","2002","21","21","4513","","10.1021/om020425p","","","0.71069","MoKα","","0.0275","0.0229","","0.0461","0.045","","","","0.948","0.977","0.977","","","","","has coordinates","198632","2020-10-21","18:00:00","" "4077023","7.843","0.004","11.556","0.006","12.868","0.006","90","","90","","90","","1166.3","1","143","1","143","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C8 H16 Cl2 N2 Pd -","- C8 H16 Cl2 N2 Pd -","- C32 H64 Cl8 N8 Pd4 -","4","0.5","","Kozlowski, Marisa C.; Li, Xiaolin; Carroll, Patrick J.; Xu, Zhenrong","Copper(II) Complexes of Novel 1,5-Diaza-cis-decalin Diamine Ligands: An Investigation of Structure and Reactivity","Organometallics","2002","21","21","4513","","10.1021/om020425p","","","0.71069","MoKα","","0.0573","0.0493","","0.103","0.1002","","","","1.239","1.288","1.288","","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077024","8.1492","0.0001","12.7481","0.0002","24.4944","0.0004","90","","91.29","0.001","90","","2544","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Cl2 N2 Pd -","- C10 H20 Cl2 N2 Pd -","- C80 H160 Cl16 N16 Pd8 -","8","2","","Kozlowski, Marisa C.; Li, Xiaolin; Carroll, Patrick J.; Xu, Zhenrong","Copper(II) Complexes of Novel 1,5-Diaza-cis-decalin Diamine Ligands: An Investigation of Structure and Reactivity","Organometallics","2002","21","21","4513","","10.1021/om020425p","","","0.71069","MoKα","","0.0423","0.0406","","0.1104","0.1088","","","","1.11","1.113","1.113","","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077025","9.5849","0.0003","8.6359","0.0002","17.5278","0.0005","90","","95.6","0.002","90","","1443.93","0.07","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H23 O P2 Rh -","- C10 H23 O P2 Rh -","- C40 H92 O4 P8 Rh4 -","4","1","","Bleeke, John R.; Donnay, Edward; Rath, Nigam P.","Oxapentadienyl−Rhodium−Phosphine Chemistry1","Organometallics","2002","21","20","4099","","10.1021/om020429u","","","0.71073","MoKα","","0.0276","0.0241","","","0.054","0.0551","","","","","","1.143","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077026","19.1117","0.0002","8.2583","0.0001","12.0811","0.0002","90","","90","","90","","1906.76","0.04","170","2","170","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H32 O P3 Rh -","- C13 H32 O P3 Rh -","- C52 H128 O4 P12 Rh4 -","4","1","","Bleeke, John R.; Donnay, Edward; Rath, Nigam P.","Oxapentadienyl−Rhodium−Phosphine Chemistry1","Organometallics","2002","21","20","4099","","10.1021/om020429u","","","0.71073","MoKα","","0.0475","0.0402","","","0.0785","0.0809","","","","","","1.137","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077027","16.4801","0.0002","16.5822","0.0002","19.6949","0.0003","90","","90","","90","","5382.15","0.12","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H42 F3 O4 P2 Rh S -","- C20 H42 F3 O4 P2 Rh S -","- C160 H336 F24 O32 P16 Rh8 S8 -","8","1","","Bleeke, John R.; Donnay, Edward; Rath, Nigam P.","Oxapentadienyl−Rhodium−Phosphine Chemistry1","Organometallics","2002","21","20","4099","","10.1021/om020429u","","","0.71073","MoKα","","0.0644","0.0328","","","0.0679","0.0886","","","","","","1.096","","","","has coordinates,has disorder","178659","2020-10-21","18:00:00","" "4077028","16.2681","0.0001","13.8952","0.0001","24.5341","0.0002","90","","90","","90","","5545.9","0.07","193","","193","","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C29 H40 Al Si Y -","- C29 H40 Al Si Y -","- C232 H320 Al8 Si8 Y8 -","8","1","","Klimpel, Michael G.; Eppinger, Jörg; Sirsch, Peter; Scherer, Wolfgang; Anwander, Reiner","The Lanthanide Ziegler−Natta Model: Aluminum-Mediated Chain Transfer","Organometallics","2002","21","20","4021","","10.1021/om020440u","","","0.71073","MoKa","","0.0633","0.0339","","","0.0799","0.0851","","","","","","0.86","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077029","11.1834","0.0014","11.2476","0.0015","13.0811","0.0017","112.451","0.002","95.864","0.002","101.221","0.002","1463.1","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","RuTp(=CCH2C6H9-apic)Cl.O(C2H5)2 = (3c.O(C2H5)2)","","","- C27 H38 B Cl N8 O Ru -","- C27 H38 B Cl N8 O Ru -","- C54 H76 B2 Cl2 N16 O2 Ru2 -","2","1","","Rüba, Eva; Hummel, Alexandra; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl","Ruthenium Trispyrazolylborate Complexes. 18.1Aminocarbene Ruthenium Complexes Derived from Terminal Alkynes and 2-Aminopyridines","Organometallics","2002","21","23","4955","","10.1021/om020441m","","","0.71073","MoKα","","0.0294","0.0272","","","0.0725","0.0743","","","","","","1.049","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077030","15.674","0.004","16.711","0.004","17.955","0.004","90","","90","","90","","4703","2","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[RuTp(m-apic)Cl]2.2(O(C2H5)2) = (5b.2(O(C2H5)2)","","","- C38 H56 B2 Cl2 N16 O2 Ru2 -","- C38 H56 B2 Cl2 N16 O2 Ru2 -","- C152 H224 B8 Cl8 N64 O8 Ru8 -","4","0.5","","Rüba, Eva; Hummel, Alexandra; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl","Ruthenium Trispyrazolylborate Complexes. 18.1Aminocarbene Ruthenium Complexes Derived from Terminal Alkynes and 2-Aminopyridines","Organometallics","2002","21","23","4955","","10.1021/om020441m","","","0.71073","MoKα","","0.0701","0.0372","","","0.0846","0.1041","","","","","","1.093","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077031","18.486","0.003","11.5197","0.0018","18.403","0.003","90","","95.083","0.003","90","","3903.6","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5a","","","- C25 H18 B F N2 -","- C25 H18 B F N2 -","- C200 H144 B8 F8 N16 -","8","1","","Liu, Qinde; Mudadu, Maria S.; Schmider, Hartmut; Thummel, Randolph; Tao, Ye; Wang, Suning","Tuning the Luminescence and Electroluminescence of Diphenylboron Complexes of 5-Substituted 2-(2‘-Pyridyl)indoles","Organometallics","2002","21","22","4743","","10.1021/om020446j","","","0.71073","MoKα","","0.0609","0.0376","","","0.1002","0.11","","","","","","1.01","","","","has coordinates","301830","2025-08-20","13:17:25","" "4077032","18.383","0.005","11.632","0.003","18.799","0.005","90","","98.814","0.005","90","","3972.3","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5b","","","- C25 H18 B Cl N2 -","- C25 H18 B Cl N2 -","- C200 H144 B8 Cl8 N16 -","8","1","","Liu, Qinde; Mudadu, Maria S.; Schmider, Hartmut; Thummel, Randolph; Tao, Ye; Wang, Suning","Tuning the Luminescence and Electroluminescence of Diphenylboron Complexes of 5-Substituted 2-(2‘-Pyridyl)indoles","Organometallics","2002","21","22","4743","","10.1021/om020446j","","","0.71073","MoKα","","0.137","0.0523","","","0.1112","0.1336","","","","","","0.813","","","","has coordinates","301830","2025-08-20","13:17:25","" "4077033","7.2396","0.0014","11.48","0.002","12.598","0.003","84.2","0.004","76.205","0.004","78.795","0.004","995.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","5c","","","- C26 H21 B N2 O -","- C26 H21 B N2 O -","- C52 H42 B2 N4 O2 -","2","1","","Liu, Qinde; Mudadu, Maria S.; Schmider, Hartmut; Thummel, Randolph; Tao, Ye; Wang, Suning","Tuning the Luminescence and Electroluminescence of Diphenylboron Complexes of 5-Substituted 2-(2‘-Pyridyl)indoles","Organometallics","2002","21","22","4743","","10.1021/om020446j","","","0.71073","MoKα","","0.1439","0.0469","","","0.0658","0.0792","","","","","","0.744","","","","has coordinates","301830","2025-08-20","13:17:25","" "4077034","12.587","0.003","16.097","0.003","10.841","0.003","90","","90","","90","","2196.5","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 Cl3 N Pd -","- C19 H30 Cl3 N Pd -","- C76 H120 Cl12 N4 Pd4 -","4","1","","Mashima, Kazushi; Shimizu, Daisuke; Yamagata, Tsuneaki; Tani, Kazuhide","Ring Methyl Activation of 1,2-Dimethyl-3,4-di(tert-butyl)cyclobutadiene Complexes of Palladium Givingexo-Methylene-η3-cyclobutenyl Complexes of Palladium","Organometallics","2002","21","23","5136","","10.1021/om0204484","","","0.71069","MoKα","","0.0545","0.0331","","","0.0781","0.0855","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00","" "4077035","11.644","0.006","13.014","0.009","10.624","0.011","112.88","0.06","91.91","0.07","91.42","0.05","1481","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H35 B Cl2 F4 N2 O Pd -","- C25 H35 B Cl2 F4 N2 O Pd -","- C50 H70 B2 Cl4 F8 N4 O2 Pd2 -","2","1","","Mashima, Kazushi; Shimizu, Daisuke; Yamagata, Tsuneaki; Tani, Kazuhide","Ring Methyl Activation of 1,2-Dimethyl-3,4-di(tert-butyl)cyclobutadiene Complexes of Palladium Givingexo-Methylene-η3-cyclobutenyl Complexes of Palladium","Organometallics","2002","21","23","5136","","10.1021/om0204484","","","0.71069","MoKα","","0.0754","0.066","","","0.1868","0.1975","","","","","","1.054","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25","" "4077036","16.0468","0.0008","10.5316","0.0005","17.5815","0.0009","90","","90","","90","","2971.2","0.3","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","(dtbpm)Pt[C6H3(CF3)3],(3)","","","- C26 H41 F9 P2 Pt -","- C26 H41 F9 P2 Pt -","- C104 H164 F36 P8 Pt4 -","4","1","","Iverson, Carl N.; Lachicotte, Rene J.; Müller, Christian; Jones, William D.","η2-Coordination and C−H Activation of Electron-Poor Arenes","Organometallics","2002","21","24","5320","","10.1021/om020459x","","","0.71073","MoKα","","0.0209","0.0195","","","0.0474","0.048","","","","","","1.003","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077037","9.2656","0.0004","9.7282","0.0004","20.1575","0.0009","91.458","0.001","99.364","0.001","107.785","0.001","1701.59","0.13","193","2","193","2","","","","","","","","5","P -1","-P 1","2","(dtbpm)Pt[C12H7(CF3)3],(9)","","","- C32 H45 F9 P2 Pt -","- C32 H45 F9 P2 Pt -","- C64 H90 F18 P4 Pt2 -","2","1","","Iverson, Carl N.; Lachicotte, Rene J.; Müller, Christian; Jones, William D.","η2-Coordination and C−H Activation of Electron-Poor Arenes","Organometallics","2002","21","24","5320","","10.1021/om020459x","","","0.71073","MoKα","","0.029","0.0237","","","0.0498","0.0511","","","","","","1.027","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077038","9.1979","0.0008","9.8021","0.0009","21.673","0.0019","102.451","0.002","90.077","0.002","107.434","0.002","1815.8","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","(dtbpm)Pt[C12H6(CF3)4],(11)","","","- C33 H44 F12 P2 Pt -","- C33 H44 F12 P2 Pt -","- C66 H88 F24 P4 Pt2 -","2","1","","Iverson, Carl N.; Lachicotte, Rene J.; Müller, Christian; Jones, William D.","η2-Coordination and C−H Activation of Electron-Poor Arenes","Organometallics","2002","21","24","5320","","10.1021/om020459x","","","0.71073","MoKα","","0.0699","0.0623","","","0.107","0.1091","","","","","","1.32","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077039","25.2091","0.001","12.482","0.0005","9.4183","0.0004","90","","90","","90","","2963.6","0.2","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","(dtbpm)Pt[C6H3(CF3)2]Cl,(12)","","","- C25 H41 Cl F6 P2 Pt -","- C25 H41 Cl F6 P2 Pt -","- C100 H164 Cl4 F24 P8 Pt4 -","4","1","","Iverson, Carl N.; Lachicotte, Rene J.; Müller, Christian; Jones, William D.","η2-Coordination and C−H Activation of Electron-Poor Arenes","Organometallics","2002","21","24","5320","","10.1021/om020459x","","","0.71073","MoKα","","0.0229","0.0195","","","0.0415","0.0423","","","","","","0.986","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077040","10.0638","0.0009","14.8937","0.0013","22.594","0.002","90","","90","","90","","3386.6","0.5","180","2","180","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Fe O3 P2 -","- C40 H38 Fe O3 P2 -","- C160 H152 Fe4 O12 P8 -","4","1","","Chiffre, Jérôme; Coppel, Yannick; Balavoine, Gilbert G. A.; Daran, Jean-Claude; Manoury, Eric","Selective Functionalization of Chiral Ferrocenyl Acetals. Easy Access to Various Tri- and Tetrasubstituted Ferrocenes with Controlled Geometry","Organometallics","2002","21","21","4552","","10.1021/om020462g","","","0.71073","MoKα","","0.0904","0.0595","","","0.1033","0.1133","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077041","8.711","0.005","16.986","0.005","19.351","0.005","90","0.005","90","0.005","90","0.005","2863","2","160","2","160","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 Fe O3 P S -","- C34 H33 Fe O3 P S -","- C136 H132 Fe4 O12 P4 S4 -","4","1","","Chiffre, Jérôme; Coppel, Yannick; Balavoine, Gilbert G. A.; Daran, Jean-Claude; Manoury, Eric","Selective Functionalization of Chiral Ferrocenyl Acetals. Easy Access to Various Tri- and Tetrasubstituted Ferrocenes with Controlled Geometry","Organometallics","2002","21","21","4552","","10.1021/om020462g","","","0.71069","MoKα","","0.1087","0.0928","","","0.1962","0.2055","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4077042","12.3089","0.0011","12.9052","0.0015","15.0422","0.0016","90","","90","","90","","2389.4","0.4","160","2","160","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Fe O P Si -","- C26 H27 Fe O P Si -","- C104 H108 Fe4 O4 P4 Si4 -","4","1","","Chiffre, Jérôme; Coppel, Yannick; Balavoine, Gilbert G. A.; Daran, Jean-Claude; Manoury, Eric","Selective Functionalization of Chiral Ferrocenyl Acetals. Easy Access to Various Tri- and Tetrasubstituted Ferrocenes with Controlled Geometry","Organometallics","2002","21","21","4552","","10.1021/om020462g","","","0.71073","MoKα","","0.0454","0.0347","","","0.0768","0.0811","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077043","12.5","0.002","12.837","0.004","13.093","0.005","61.49","0.03","75.105","0.019","68.503","0.018","1709","1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H33 F12 Ir N5 O P2 S -","- C25 H33 F12 Ir N5 O P2 S -","- C50 H66 F24 Ir2 N10 O2 P4 S2 -","2","1","","de Bruin, Bas; Thewissen, Simone; Yuen, Tsi-Wai; Peters, Theo P. J.; Smits, Jan M. M.; Gal, Anton W.","Formation of Ethylene-Bridged Dinuclear IrIIISpecies via M−C Coupling of IrIIand IrII(ethene)","Organometallics","2002","21","21","4312","","10.1021/om020476m","","","0.71073","MoKα","","0.0538","0.0408","","0.1101","0.1032","0.1101","","","1.093","","","1.093","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077044","12.1371","0.001","14.9716","0.0012","19.096","0.002","73.115","0.008","80.005","0.008","73.965","0.008","3174.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H61 F24 Ir2 N11 P4 -","- C50 H61 F24 Ir2 N11 P4 -","- C100 H122 F48 Ir4 N22 P8 -","2","1","","de Bruin, Bas; Thewissen, Simone; Yuen, Tsi-Wai; Peters, Theo P. J.; Smits, Jan M. M.; Gal, Anton W.","Formation of Ethylene-Bridged Dinuclear IrIIISpecies via M−C Coupling of IrIIand IrII(ethene)","Organometallics","2002","21","21","4312","","10.1021/om020476m","","","0.71073","MoKα","","0.0587","0.0379","","0.0966","0.0882","0.0966","","","1.065","","","1.065","","","","has coordinates,has disorder","178659","2020-10-21","18:00:00","" "4077045","12.781","0.003","13.405","0.004","28.45","0.007","90","","91.48","0.018","90","","4873","2","223","2","223","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 B9 Cl2 N3 P2 Rh Ru S -","- C41 H55 B9 Cl2 N3 P2 Rh Ru S -","- C164 H220 B36 Cl8 N12 P8 Rh4 Ru4 S4 -","4","1","","Volkov, Oleg; Rath, Nigam P.; Barton, Lawrence","Chemistry of a Metallathiaborane Cluster. 5.†Reaction of [8,8-(η2-dppm)-8-(η1-dppm)-nido-8,7-RhSB9H10] and Its Derivatives with Organotransition-Metal Reagents","Organometallics","2002","21","25","5505","","10.1021/om020480y","","","0.71073","MoKα","","0.0933","0.068","","","0.1761","0.2004","","","","","","1.053","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077046","16.416","0.0004","20.7474","0.0005","16.8186","0.0004","90","","115.631","0.002","90","","5164.6","0.2","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H49 B9 Cl6 P3 Rh S -","- C45.5 H49 B9 Cl6 P3 Rh S -","- C182 H196 B36 Cl24 P12 Rh4 S4 -","4","1","","Volkov, Oleg; Rath, Nigam P.; Barton, Lawrence","Chemistry of a Metallathiaborane Cluster. 5.†Reaction of [8,8-(η2-dppm)-8-(η1-dppm)-nido-8,7-RhSB9H10] and Its Derivatives with Organotransition-Metal Reagents","Organometallics","2002","21","25","5505","","10.1021/om020480y","","","0.71073","MoKα","","0.1059","0.0704","","","0.1722","0.1903","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077047","14.7117","0.0007","20.0133","0.001","22.9074","0.0012","90","","107.165","0.003","90","","6444.2","0.6","223","2","223","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H70 B9 Cl4 P4 Rh Ru S -","- C62 H70 B9 Cl4 P4 Rh Ru S -","- C248 H280 B36 Cl16 P16 Rh4 Ru4 S4 -","4","1","","Volkov, Oleg; Rath, Nigam P.; Barton, Lawrence","Chemistry of a Metallathiaborane Cluster. 5.†Reaction of [8,8-(η2-dppm)-8-(η1-dppm)-nido-8,7-RhSB9H10] and Its Derivatives with Organotransition-Metal Reagents","Organometallics","2002","21","25","5505","","10.1021/om020480y","","","0.71073","MoKα","","0.1296","0.0612","","","0.0885","0.1044","","","","","","1.012","","","","has coordinates,has disorder","178659","2020-10-21","18:00:00","" "4077048","13.255","0.005","17.082","0.01","17.651","0.006","90","","96.98","0.03","90","","3967","3","293","2","293","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 P2 Ru -","- C50 H40 P2 Ru -","- C200 H160 P8 Ru4 -","4","1","","Bassetti, Mauro; Marini, Silvia; Díaz, Josefina; Gamasa, M. Pilar; Gimeno, José; Rodríguez-Álvarez, Yolanda; García-Granda, Santiago","Synthesis and Properties of the Indenyl Ruthenium(II) Complex [Ru{(E)-η1-C(C⋮CPh)CHPh}(η5-C9H7)(κ2-P-dppm)] (dppm = bis(diphenylphosphino)methane). An Organometallic Intermediate in the Catalytic Dimerization of Phenylacetylene","Organometallics","2002","21","22","4815","","10.1021/om020483a","","","0.71073","MoKα","","0.3175","0.0483","","","0.085","0.1362","","","","","","0.907","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077049","20.638","0.004","11.067","0.005","18.819","0.005","90","","95.32","0.01","90","","4280","2","293","2","293","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H41 B F4 P2 Ru -","- C50 H41 B F4 P2 Ru -","- C200 H164 B4 F16 P8 Ru4 -","4","1","","Bassetti, Mauro; Marini, Silvia; Díaz, Josefina; Gamasa, M. Pilar; Gimeno, José; Rodríguez-Álvarez, Yolanda; García-Granda, Santiago","Synthesis and Properties of the Indenyl Ruthenium(II) Complex [Ru{(E)-η1-C(C⋮CPh)CHPh}(η5-C9H7)(κ2-P-dppm)] (dppm = bis(diphenylphosphino)methane). An Organometallic Intermediate in the Catalytic Dimerization of Phenylacetylene","Organometallics","2002","21","22","4815","","10.1021/om020483a","","","0.71073","MoKα","","0.1531","0.0554","","","0.139","0.1741","","","","","","1.003","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077050","12.152","0.003","18.888","0.003","18.289","0.003","90","","106","2","90","","4035","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H72 Ir2 O2 P4 -","- C92 H72 Ir2 O2 P4 -","- C184 H144 Ir4 O4 P8 -","2","0.5","","Chin, Chong Shik; Kim, Mieock; Lee, Hyungeui; Noh, Soyoung; Ok, Kang Min","Regio- and Stereoselective C−C Bond Formation between Alkynes: Synthesis of Linear Dienynes from Alkynes","Organometallics","2002","21","22","4785","","10.1021/om020493b","","","0.7107","MoKα","","0.1454","0.1116","","","0.2949","0.3154","","","","","","1.223","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077051","17.698","0.002","16.6739","0.0019","20.021","0.002","90","","108.37","0.002","90","","5607","1.1","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 B Cl18 F4 Ir O P2 -","- C53 H45 B Cl9 F4 Ir O P2 -","- C212 H180 B4 Cl36 F16 Ir4 O4 P8 -","4","1","","Chin, Chong Shik; Kim, Mieock; Lee, Hyungeui; Noh, Soyoung; Ok, Kang Min","Regio- and Stereoselective C−C Bond Formation between Alkynes: Synthesis of Linear Dienynes from Alkynes","Organometallics","2002","21","22","4785","","10.1021/om020493b","","","0.71073","MoKα","","0.0896","0.043","","","0.0872","0.1052","","","","","","0.947","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077052","18.243","0.0007","11.1702","0.0005","21.552","0.001","90","","104.766","0.002","90","","4246.8","0.3","161.2","","161.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H57 N2 Ta -","- C50 H57 N2 Ta -","- C200 H228 N8 Ta4 -","4","1","","Gavenonis, John; Tilley, T. Don","Tantalum Alkyl and Silyl Complexes of the Bulky (Terphenyl)imido Ligand [2,6-(2,4,6-Me3C6H2)2C6H3N]2-([Ar*N]2-). Generation and Reactivity of [(Ar*N)(Ar*NH)Ta(H)(OSO2CF3)], Which Reversibly Transfers Hydride to an Aromatic Ring of the Arylamide Ligand","Organometallics","2002","21","25","5549","","10.1021/om020509y","","","0.7107","MoKα","","0.1008","0.0272","","0.038","0.0243","0.0243","","","","","","0.65","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077053","10.9435","0.0009","43.319","0.004","12.4363","0.001","90","","115.977","0.002","90","","5299.9","0.8","159","2","159","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60.5 H79 N2 Ta -","- C60.5 H79 N2 Ta -","- C242 H316 N8 Ta4 -","4","2","","Gavenonis, John; Tilley, T. Don","Tantalum Alkyl and Silyl Complexes of the Bulky (Terphenyl)imido Ligand [2,6-(2,4,6-Me3C6H2)2C6H3N]2-([Ar*N]2-). Generation and Reactivity of [(Ar*N)(Ar*NH)Ta(H)(OSO2CF3)], Which Reversibly Transfers Hydride to an Aromatic Ring of the Arylamide Ligand","Organometallics","2002","21","25","5549","","10.1021/om020509y","","","0.71073","MoKα","","0.0793","0.0506","","0.0895","0.0791","","","","0.942","0.94","0.94","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4077054","10.9651","0.0004","15.8166","0.0005","27.5663","0.0009","90","","95.869","0.001","90","","4755.8","0.3","158.2","","158.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51.5 H59 F3 N2 O3 S Ta -","- C53 H59 F3 N2 O3 S Ta -","- C212 H236 F12 N8 O12 S4 Ta4 -","4","1","","Gavenonis, John; Tilley, T. Don","Tantalum Alkyl and Silyl Complexes of the Bulky (Terphenyl)imido Ligand [2,6-(2,4,6-Me3C6H2)2C6H3N]2-([Ar*N]2-). Generation and Reactivity of [(Ar*N)(Ar*NH)Ta(H)(OSO2CF3)], Which Reversibly Transfers Hydride to an Aromatic Ring of the Arylamide Ligand","Organometallics","2002","21","25","5549","","10.1021/om020509y","","","0.7107","MoKα","","0.0714","0.0343","","0.0455","0.0357","0.0357","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077055","11.7387","0.0003","8.141","0.0002","27.119","0.0007","90","","101.54","0.001","90","","2539.23","0.11","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 Cl O3 Ru -","- C31 H21 Cl O3 Ru -","- C124 H84 Cl4 O12 Ru4 -","4","1","","Jung, Hyun Min; Choi, Jun Ho; Lee, Soon Ok; Kim, Yu Hwan; Park, Jung Hye; Park, Jaiwook","Facile Synthesis of (η5-Ph4C4COH)(CO)2RuCl and Catalytic Oxidation of Alcohols with Chloroform","Organometallics","2002","21","25","5674","","10.1021/om020516m","","","0.71073","MoKα","","0.0621","0.0467","","","0.1243","0.1379","","","","","","1.171","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077056","5.9333","0.0008","20.621","0.003","11.8559","0.0016","90","","94.301","0.002","90","","1446.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 N2 S2 Si2 -","- C24 H36 N2 S2 Si2 -","- C48 H72 N4 S4 Si4 -","2","0.5","","Wong, Wai-Yeung; Choi, Ka-Ho; Lu, Guo-Liang; Lin, Zhenyang","Bis(alkynyl) Mercury(II) Complexes of Oligothiophenes and Bithiazoles","Organometallics","2002","21","21","4475","","10.1021/om020517e","","","0.71073","MoKα","","0.0568","0.0466","","","0.159","0.1794","","","","","","0.854","","","","has coordinates","301830","2025-08-20","13:17:25","" "4077057","5.7604","0.0006","11.6894","0.0012","11.9504","0.0013","97.465","0.002","100.537","0.002","97.548","0.002","774.42","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 N2 O2 S2 Si2 -","- C30 H32 N2 O2 S2 Si2 -","- C30 H32 N2 O2 S2 Si2 -","1","0.5","","Wong, Wai-Yeung; Choi, Ka-Ho; Lu, Guo-Liang; Lin, Zhenyang","Bis(alkynyl) Mercury(II) Complexes of Oligothiophenes and Bithiazoles","Organometallics","2002","21","21","4475","","10.1021/om020517e","","","0.71073","MoKα","","0.0686","0.0528","","","0.1445","0.1595","","","","","","1.014","","","","has coordinates","301830","2025-08-20","13:17:25","" "4077058","9.71","0.002","14.469","0.003","8.61","0.002","90","","111.041","0.004","90","","1129","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Hg2 S -","- C10 H8 Hg2 S -","- C40 H32 Hg8 S4 -","4","1","","Wong, Wai-Yeung; Choi, Ka-Ho; Lu, Guo-Liang; Lin, Zhenyang","Bis(alkynyl) Mercury(II) Complexes of Oligothiophenes and Bithiazoles","Organometallics","2002","21","21","4475","","10.1021/om020517e","","","0.71073","MoKα","","0.0551","0.0494","","","0.1395","0.1462","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00","" "4077059","8.5731","0.0016","8.925","0.0017","9.8628","0.0018","89.031","0.004","88.823","0.004","73.136","0.003","722","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 Hg2 S2 -","- C14 H10 Hg2 S2 -","- C28 H20 Hg4 S4 -","2","1","","Wong, Wai-Yeung; Choi, Ka-Ho; Lu, Guo-Liang; Lin, Zhenyang","Bis(alkynyl) Mercury(II) Complexes of Oligothiophenes and Bithiazoles","Organometallics","2002","21","21","4475","","10.1021/om020517e","","","0.71073","MoKα","","0.0719","0.0624","","","0.1641","0.1706","","","","","","0.96","","","","has coordinates","201982","2020-10-21","18:00:00","" "4077060","11.923","0.002","13.351","0.003","20.299","0.004","90","","90","","90","","3231.3","1.1","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H35 Cl P2 Ru -","- C39 H35 Cl P2 Ru -","- C156 H140 Cl4 P8 Ru4 -","4","1","","Liu, Sheng Hua; Ng, Sze Ming; Wen, Ting Bin; Zhou, Zhong Yuan; Lin, Zhenyang; Lau, Chak Po; Jia, Guochen","Synthesis and Protonation of [RuH(NBD)(2,6-(Ph2PCH2)2C6H3)]","Organometallics","2002","21","20","4281","","10.1021/om020521q","","","0.71073","MoKα","","0.0312","0.0261","","","0.0576","0.0597","","","","","","1.008","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077061","10.6517","0.0016","11.051","0.0016","19.997","0.003","89.891","0.003","78.283","0.003","71.252","0.003","2177.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H45 O2 P3 Ru -","- C52 H45 O2 P3 Ru -","- C104 H90 O4 P6 Ru2 -","2","1","","Liu, Sheng Hua; Ng, Sze Ming; Wen, Ting Bin; Zhou, Zhong Yuan; Lin, Zhenyang; Lau, Chak Po; Jia, Guochen","Synthesis and Protonation of [RuH(NBD)(2,6-(Ph2PCH2)2C6H3)]","Organometallics","2002","21","20","4281","","10.1021/om020521q","","","0.71073","MoKα","","0.0437","0.0319","","","0.0743","0.0795","","","","","","0.971","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077062","15.318","0.003","14.45","0.002","17.763","0.003","90","","104.142","0.003","90","","3812.6","1.1","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 F3 N O3 P2 Ru S -","- C42 H38 F3 N O3 P2 Ru S -","- C168 H152 F12 N4 O12 P8 Ru4 S4 -","4","1","","Liu, Sheng Hua; Ng, Sze Ming; Wen, Ting Bin; Zhou, Zhong Yuan; Lin, Zhenyang; Lau, Chak Po; Jia, Guochen","Synthesis and Protonation of [RuH(NBD)(2,6-(Ph2PCH2)2C6H3)]","Organometallics","2002","21","20","4281","","10.1021/om020521q","","","0.71073","MoKα","","0.0753","0.0474","","","0.1384","0.1549","","","","","","1.042","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077063","11.5346","0.0011","11.7231","0.0011","17.5248","0.0017","108.263","0.002","91.088","0.002","101.615","0.002","2195.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H80 Cl O2 P2 Ru2 Si2 -","- C35 H80 Cl O2 P2 Ru2 Si2 -","- C70 H160 Cl2 O4 P4 Ru4 Si4 -","2","1","","Martín, Marta; Sola, Eduardo; Lahoz, Fernando J.; Oro, Luis A.","Trans Additions of Silanes to 1-Alkynes Catalyzed by Ruthenium Complexes: Role of in Situ Formed Polynuclear Aggregates","Organometallics","2002","21","20","4027","","10.1021/om0205243","","","0.71073","MoKα","","0.0926","0.0537","","","0.088","0.097","","","","","","0.908","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077064","22.567","0.0018","12.8393","0.001","26.88","0.002","90","","111.602","0.002","90","","7241.3","1","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H113 Cl2 O4 P4 Ru4 Si2 -","- C51 H106 Cl2 O4 P4 Ru4 Si2 -","- C204 H424 Cl8 O16 P16 Ru16 Si8 -","4","1","","Martín, Marta; Sola, Eduardo; Lahoz, Fernando J.; Oro, Luis A.","Trans Additions of Silanes to 1-Alkynes Catalyzed by Ruthenium Complexes: Role of in Situ Formed Polynuclear Aggregates","Organometallics","2002","21","20","4027","","10.1021/om0205243","","","0.71073","MoKα","","0.1126","0.0572","","","0.1191","0.1325","","","","","","0.867","","","","has coordinates,has disorder","178659","2020-10-21","18:00:00","" "4077065","7.2142","0.001","7.2142","0.001","11.802","0.002","90","","90","","120","","531.94","0.14","100","2","100","2","","","","","","","","3","P 63/m","-P 6c","176","[Mo(butadiene)3]","","","- C12 H18 Mo -","- C12 H18 Mo -","- C24 H36 Mo2 -","2","0.166667","","Kaupp, Martin; Kopf, Thomas; Murso, Alexander; Stalke, Dietmar; Strohmann, Carsten; Hanks, John R.; Cloke, F. Geoffrey N.; Hitchcock, Peter B.","Trigonal Prismatic Structure of Tris(butadiene)molybdenum and Related Complexes Revisited: Diolefin or Metallacyclopentene Coordination?","Organometallics","2002","21","23","5021","","10.1021/om020525v","","","0.71073","MoKα","","0.0214","0.019","","","0.0436","0.0444","","","","","","1.053","","","","has coordinates,has disorder","178659","2020-10-21","18:00:00","" "4077066","21.774","0.004","24.507","0.005","16.699","0.003","90","","90","","90","","8911","3","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C44.67 H72 O17.33 P5.33 Sn2.67 -","- C44.6667 H72 O17.3333 P5.33333 Sn2.66667 -","- C268 H432 O104 P32 Sn16 -","6","0.75","","Chandrasekhar, Vadapalli; Baskar, Viswanathan; Steiner, Alexander; Zacchini, Stefano","Synthesis of a Tetranuclear Organooxotin Cage by Debenzylation Reactions: X-ray Crystal Structure of [(PhCH2)2Sn2O(O2P(OH)-t-Bu)4]2","Organometallics","2002","21","21","4528","","10.1021/om020531r","","","0.71073","MoKα","","0.041","0.0233","","","0.0649","0.072","","","","","","1.082","","","","has coordinates,has disorder","178659","2020-10-21","18:00:00","" "4077067","10.4114","0.0006","13.3264","0.0008","15.7688","0.0009","90","","105.836","0.001","90","","2104.8","0.2","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 B N2 Rh -","- C21 H38 B N2 Rh -","- C84 H152 B4 N8 Rh4 -","4","1","","Liu, Shih-Yuan; Hills, Ivory D.; Fu, Gregory C.","The First General Method for the Synthesis of Transition-Metal π Complexes of an Electronically Diverse Family of 1,2-Azaborolyls","Organometallics","2002","21","21","4323","","10.1021/om020533b","","","0.71073","MoKα","","0.0235","0.0203","","","0.0495","0.0507","","","","","","1.028","","","","has coordinates","198632","2020-10-21","18:00:00","" "4077068","13.2409","0.0003","20.0499","0.0005","20.387","0.001","90","","90","","90","","5412.3","0.3","173.2","","173.2","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H42 Cl7 F6 N2 O P3 Ru -","- C56 H42 Cl7 F6 N2 O P3 Ru -","- C224 H168 Cl28 F24 N8 O4 P12 Ru4 -","4","1","","Cyr, Paul W.; Rettig, Steven J.; Patrick, Brian O.; James, Brian R.","Formation of Ruthenium(II)−Bis(phosphine) Monoxide Complexes from the Bis(phosphine) Precursors: BINAP-Monoxide (BINAPO) as a Six-Electron (P,O,η2-Naphthyl) Donor","Organometallics","2002","21","22","4672","","10.1021/om0205344","","","0.7107","MoKα","","0.0768","0.041","","0.1107","","0.1107","","","1.171","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077069","15.2991","0.0008","5.884","0.0003","17.8028","0.001","90","","102.122","0.001","90","","1566.87","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 O3 Rh -","- C17 H21 O3 Rh -","- C68 H84 O12 Rh4 -","4","1","","Busetto, Luigi; Cassani, M. Cristina; Mazzoni, Rita; Albano, Vincenzo G.; Sabatino, Piera; Frediani, Piero; Rivalta, Eleonora","Coordination Chemistry of Ester-Functionalized Cp Ligands. A Versatile Approach to the Chiral Hydroxyalkoxycarbonylcyclopentadienide [C5H4CO2(CHMe)2OH]-. Synthesis, Structure, and Catalytic Activity of Rhodium(I) and Iron(II) Complexes","Organometallics","2002","21","23","4993","","10.1021/om0205492","","","0.71073","MoKα","","0.0575","0.0557","","","0.1421","0.1449","","","","","","1.035","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077070","5.816","0.0012","13.977","0.003","19.434","0.004","90","","90","","90","","1579.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 O3 Rh -","- C17 H21 O3 Rh -","- C68 H84 O12 Rh4 -","4","1","","Busetto, Luigi; Cassani, M. Cristina; Mazzoni, Rita; Albano, Vincenzo G.; Sabatino, Piera; Frediani, Piero; Rivalta, Eleonora","Coordination Chemistry of Ester-Functionalized Cp Ligands. A Versatile Approach to the Chiral Hydroxyalkoxycarbonylcyclopentadienide [C5H4CO2(CHMe)2OH]-. Synthesis, Structure, and Catalytic Activity of Rhodium(I) and Iron(II) Complexes","Organometallics","2002","21","23","4993","","10.1021/om0205492","","","0.71073","MoKα","","0.0373","0.0359","","","0.0958","0.0976","","","","","","0.935","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077071","12.5279","0.0006","13.7541","0.0003","23.2188","0.0011","90","","97.785","0.002","90","","3964","0.3","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","[PdCl(C6H4Me)(C3H2N2tBu2)2].2(C6D6)","","","- C41 H49 Cl D12 N4 Pd -","- C41 H59 Cl N4 Pd -","- C164 H236 Cl4 N16 Pd4 -","4","1","","Caddick, Stephen; Cloke, F. Geoffrey N.; Hitchcock, Peter B.; Leonard, John; Lewis, Alexandra K. de K.; McKerrecher, Darren; Titcomb, Lisa R.","The First Example of Simple Oxidative Addition of an Aryl Chloride to a Discrete Palladium N-Heterocyclic Carbene Amination Precatalyst","Organometallics","2002","21","21","4318","","10.1021/om020552l","","x-ray","0.71073","MoKα","","0.0713","0.0488","","","0.1021","0.1116","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4077072","6.984","0.001","22.873","0.001","23.788","0.001","90","","90","","90","","3800","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Fe N2 O3 -","- C21 H16 Fe N2 O3 -","- C168 H128 Fe8 N16 O24 -","8","1","","Son, Seung Uk; Park, Kang Hyun; Jung, Il Gu; Chung, Young Keun; Lah, Myoung Soo","Reactions of Fe2(CO)9with Azine Derivatives: Discovery of New Coordination Modes and Reactivity of New Bimetallic Compounds","Organometallics","2002","21","24","5366","","10.1021/om0205546","","","0.71073","MoKα","","0.1318","0.0411","","","0.0966","0.169","","","","","","0.944","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077073","8.067","0.001","9.629","0.001","12.783","0.001","80.289","0.002","78.102","0.002","83.271","0.002","954.19","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Fe N2 O3 -","- C21 H16 Fe N2 O3 -","- C42 H32 Fe2 N4 O6 -","2","1","","Son, Seung Uk; Park, Kang Hyun; Jung, Il Gu; Chung, Young Keun; Lah, Myoung Soo","Reactions of Fe2(CO)9with Azine Derivatives: Discovery of New Coordination Modes and Reactivity of New Bimetallic Compounds","Organometallics","2002","21","24","5366","","10.1021/om0205546","","","0.71073","MoKα","","0.1131","0.0514","","","0.1259","0.1692","","","","","","0.938","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077074","9.561","0.001","9.986","0.001","10.494","0.001","85.192","0.001","72.765","0.001","81.162","0.001","944.8","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Fe N2 O3 -","- C21 H16 Fe N2 O3 -","- C42 H32 Fe2 N4 O6 -","2","1","","Son, Seung Uk; Park, Kang Hyun; Jung, Il Gu; Chung, Young Keun; Lah, Myoung Soo","Reactions of Fe2(CO)9with Azine Derivatives: Discovery of New Coordination Modes and Reactivity of New Bimetallic Compounds","Organometallics","2002","21","24","5366","","10.1021/om0205546","","","0.71073","MoKα","","0.0529","0.0385","","","0.1162","0.1336","","","","","","1.15","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077075","13.166","0.001","7.444","0.001","17.807","0.001","90","","92.573","0.002","90","","1743.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C19 H14 Fe N2 O3 -","- C19 H14 Fe N2 O3 -","- C76 H56 Fe4 N8 O12 -","4","1","","Son, Seung Uk; Park, Kang Hyun; Jung, Il Gu; Chung, Young Keun; Lah, Myoung Soo","Reactions of Fe2(CO)9with Azine Derivatives: Discovery of New Coordination Modes and Reactivity of New Bimetallic Compounds","Organometallics","2002","21","24","5366","","10.1021/om0205546","","","0.71069","MoKα","","0.0892","0.043","","","0.1021","0.1348","","","","","","1.031","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077076","10.821","0.001","12.681","0.001","12.716","0.001","90","","96.262","0.001","90","","1734.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H12 Fe2 N2 O6 -","- C14 H12 Fe2 N2 O6 -","- C56 H48 Fe8 N8 O24 -","4","1","","Son, Seung Uk; Park, Kang Hyun; Jung, Il Gu; Chung, Young Keun; Lah, Myoung Soo","Reactions of Fe2(CO)9with Azine Derivatives: Discovery of New Coordination Modes and Reactivity of New Bimetallic Compounds","Organometallics","2002","21","24","5366","","10.1021/om0205546","","","0.71073","MoKα","","0.0705","0.0452","","","0.1217","0.1472","","","","","","1.058","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077077","7.511","0.001","10.217","0.001","11.508","0.001","79.25","0.002","89.994","0.002","89.98","0.002","867.62","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Fe2 N2 O6 -","- C14 H12 Fe2 N2 O6 -","- C28 H24 Fe4 N4 O12 -","2","1","","Son, Seung Uk; Park, Kang Hyun; Jung, Il Gu; Chung, Young Keun; Lah, Myoung Soo","Reactions of Fe2(CO)9with Azine Derivatives: Discovery of New Coordination Modes and Reactivity of New Bimetallic Compounds","Organometallics","2002","21","24","5366","","10.1021/om0205546","","","0.71073","MoKα","","0.0703","0.0456","","","0.1052","0.1211","","","","","","0.95","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077078","13.273","0.001","13.226","0.001","28.646","0.001","90","","90","","90","","5028.8","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H38 Fe4 N4 O12 -","- C50 H38 Fe4 N4 O12 -","- C200 H152 Fe16 N16 O48 -","4","1","","Son, Seung Uk; Park, Kang Hyun; Jung, Il Gu; Chung, Young Keun; Lah, Myoung Soo","Reactions of Fe2(CO)9with Azine Derivatives: Discovery of New Coordination Modes and Reactivity of New Bimetallic Compounds","Organometallics","2002","21","24","5366","","10.1021/om0205546","","","0.71073","MoKα","","0.145","0.0443","","","0.0853","0.0994","","","","","","0.794","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077079","7.041","0.0003","13.6382","0.0006","8.9518","0.0005","90","","96.0079","0.0014","90","","854.89","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 Fe N O3 -","- C7 H6 Fe N O3 -","- C28 H24 Fe4 N4 O12 -","4","1","","Son, Seung Uk; Park, Kang Hyun; Jung, Il Gu; Chung, Young Keun; Lah, Myoung Soo","Reactions of Fe2(CO)9with Azine Derivatives: Discovery of New Coordination Modes and Reactivity of New Bimetallic Compounds","Organometallics","2002","21","24","5366","","10.1021/om0205546","","","0.71073","MoKα","","0.0644","0.0351","","","0.0874","0.1128","","","","","","1.004","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077080","16.012","0.006","16.902","0.007","17.92","0.006","90","","103.23","0.03","90","","4721","3","293","2","293","2","","","","","","","Synthesis. Crystallization from a CH~2~Cl~2~/acetone/ hexanes solution at room temperature by slow liquid-liquid difussion.","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H8 N2 O9 Ru3 -","- C22 H8 N2 O9 Ru3 -","- C176 H64 N16 O72 Ru24 -","8","2","","Cabeza, Javier A.; del Río, Ignacio; García-Granda, Santiago; Riera, Víctor; Suárez, Marta","Triruthenium and Triosmium Carbonyl Cluster Complexes Containing Bridging Ligands Derived from 2-Amino-7,8-benzoquinoline","Organometallics","2002","21","23","5055","","10.1021/om0205647","","","0.71073","MoKα","","0.1338","0.0396","","","0.0923","0.1167","","","","","","0.988","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077081","13.2841","0.0003","10.6019","0.0003","22.6787","0.0005","90","","91.985","0.002","90","","3192.08","0.14","120","2","120","2","","","","","","","Synthesis. Crystallization from a dichloromethane/hexane solution at room temperature by slow liquid-liquid difussion.","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H20 Cl2 N4 O6 Ru3 -","- C33 H20 Cl2 N4 O6 Ru3 -","- C132 H80 Cl8 N16 O24 Ru12 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Granda, Santiago; Riera, Víctor; Suárez, Marta","Triruthenium and Triosmium Carbonyl Cluster Complexes Containing Bridging Ligands Derived from 2-Amino-7,8-benzoquinoline","Organometallics","2002","21","23","5055","","10.1021/om0205647","","","1.5418","CuKα","","0.0479","0.0442","","","0.1445","0.1593","","","","","","1.195","","","","has coordinates,has disorder","178659","2020-10-21","18:00:00","" "4077082","13.186","0.003","12.405","0.003","17.813","0.005","90","","105.01","0.02","90","","2814.3","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dichloro-(1-benzyl-2-(2-pyridyl)-4,5-diphenyl-imidazoline,N,N') -palladium(II) chloroform solvate","","- C28 H24 Cl5 N3 Pd -","- C28.475 H24 Cl4.525 N3 Pd -","- C113.9 H96 Cl18.1 N12 Pd4 -","4","1","","Bastero, Amaia; Ruiz, Aurora; Claver, Carmen; Milani, Barbara; Zangrando, Ennio","Influence of Pyridine-Imidazoline Ligands on the Reactivity of Palladium-Methyl Complexes with Carbon Monoxide","Organometallics","2002","21","26","5820","","10.1021/om020568b","","","0.71073","mokα","","0.063","0.0424","","","0.1035","0.1134","","","","","","1.034","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077083","10.698","0.003","10.368","0.004","21.206","0.005","90","","99.84","0.02","90","","2317.5","1.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","chloro-methyl-(1-trifluoromethylsulfonyl-2-(2-pyridyl)-4,5-diphenyl- -imidazoline,N,N')-palladium(II)","","- C22 H19 Cl F3 N3 O2 Pd S -","- C22 H19 Cl F3 N3 O2 Pd S -","- C88 H76 Cl4 F12 N12 O8 Pd4 S4 -","4","1","","Bastero, Amaia; Ruiz, Aurora; Claver, Carmen; Milani, Barbara; Zangrando, Ennio","Influence of Pyridine-Imidazoline Ligands on the Reactivity of Palladium-Methyl Complexes with Carbon Monoxide","Organometallics","2002","21","26","5820","","10.1021/om020568b","","","0.71073","mokα","","0.0798","0.0509","","","0.1319","0.1501","","","","","","1.032","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077084","10.9363","0.0014","16.767","0.002","17.995","0.002","85.271","0.002","89.7","0.002","71.045","0.002","3109.4","0.6","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H49 B4 Rh3 -","- C30 H49 B4 Rh3 -","- C120 H196 B16 Rh12 -","4","2","","Yan, Hong; Beatty, Alicia M.; Fehlner, Thomas P.","Metallaborane Reaction Chemistry.nido-Dirhodapentaborane Isomer Structures and Stabilities and Utilization of Dirhodaboranes as Catalysts for Alkyne Cyclotrimerization","Organometallics","2002","21","23","5029","","10.1021/om0205694","","","0.71073","MoKα","","0.0433","0.0332","","","0.0713","0.0788","","","","","","1.069","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077085","20.096","0.013","23.457","0.015","12.359","0.008","90","","102.6","0.012","90","","5686","6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Os3(CO)7(CNCH2Ph)(mu3-CNCH2Ph)(mu-H)2(mu3-eta1:eta2:eta1-C60) (2)","","- C83 H14 N2 O7 Os3 -","- C83 H14 N2 O7 Os3 -","- C332 H56 N8 O28 Os12 -","4","1","","Song, Hyunjoon; Choi, Jae Ik; Lee, Kwangyeol; Choi, Moon-Gun; Park, Joon T.","Substitution Reactions of aμ3-η1:η2:η1-C60Triosmium Cluster Complex and Formation of a Novelμ3-η1:η1:η2-C60Bonding Mode","Organometallics","2002","21","24","5221","","10.1021/om0205703","","","0.71073","MoKα","","0.0636","0.0502","","","0.1407","0.1512","","","","","","1.062","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077086","13.15","0.002","26.853","0.005","19.273","0.005","90","","109.893","0.019","90","","6400","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Os3(CO)7(CNCH2Ph)2(mu3-CNCH2Ph)(mu3-eta1:eta2:eta1-C60) (3)","","- C97 H25 Cl2 N3 O7 Os3 -","- C97 H25 Cl2 N3 O7 Os3 -","- C388 H100 Cl8 N12 O28 Os12 -","4","1","","Song, Hyunjoon; Choi, Jae Ik; Lee, Kwangyeol; Choi, Moon-Gun; Park, Joon T.","Substitution Reactions of aμ3-η1:η2:η1-C60Triosmium Cluster Complex and Formation of a Novelμ3-η1:η1:η2-C60Bonding Mode","Organometallics","2002","21","24","5221","","10.1021/om0205703","","","0.71073","MoKα","","0.0866","0.0745","","","0.1743","0.1837","","","","","","1.333","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077087","14.685","0.003","13.935","0.003","29.747","0.005","90","","103.297","0.003","90","","5924","2","233","2","233","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Os3(CO)7(CNCH2Ph)(mu3-CNCH2Ph)(PMe3)(mu3-eta1:eta2:eta1-C60) (4)","","- C87 H23 N2 O7 Os3 P S2 -","- C87 H23 N2 O7 Os3 P S2 -","- C348 H92 N8 O28 Os12 P4 S8 -","4","1","","Song, Hyunjoon; Choi, Jae Ik; Lee, Kwangyeol; Choi, Moon-Gun; Park, Joon T.","Substitution Reactions of aμ3-η1:η2:η1-C60Triosmium Cluster Complex and Formation of a Novelμ3-η1:η1:η2-C60Bonding Mode","Organometallics","2002","21","24","5221","","10.1021/om0205703","","","0.71073","MoKα","","0.1038","0.0763","","","0.1685","0.1865","","","","","","1.088","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077088","12.984","0.003","13.429","0.003","22.122","0.004","107.39","0.03","90.99","0.03","103.08","0.03","3570.4","1.6","293","2","298","2","","","","","","","","7","P -1","-P 1","2","","Os3(CO)7(CNCH2Ph)(mu3-CNCH2Ph)(PPh3)(mu3-eta1:eta1:eta2-C60) (5)","","- C107 H33 Cl2 N2 O7 Os3 P -","- C107 H33 Cl2 N2 O7 Os3 P -","- C214 H66 Cl4 N4 O14 Os6 P2 -","2","1","","Song, Hyunjoon; Choi, Jae Ik; Lee, Kwangyeol; Choi, Moon-Gun; Park, Joon T.","Substitution Reactions of aμ3-η1:η2:η1-C60Triosmium Cluster Complex and Formation of a Novelμ3-η1:η1:η2-C60Bonding Mode","Organometallics","2002","21","24","5221","","10.1021/om0205703","","","0.71073","MoKα","","0.0496","0.0413","","","0.096","0.0995","","","","","","1.073","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077089","9.7226","0.0007","18.1877","0.0012","21.7853","0.0015","90","","96.771","0.001","90","","3825.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2,6,6-tetramethyl-3,5-bis(2,6-diisopropylphenylimido)heptyl neopentyl iron(ii)","","- C40 H64 Fe N2 -","- C40 H64 Fe N2 -","- C160 H256 Fe4 N8 -","4","1","","Smith, Jeremy M.; Lachicotte, Rene J.; Holland, Patrick L.","Three-Coordinate, 12-Electron Organometallic Complexes of Iron(II) Supported by a Bulky β-Diketiminate Ligand: Synthesis and Insertion of CO To Give Square-Pyramidal Complexes","Organometallics","2002","21","22","4808","","10.1021/om020571v","","","0.71073","MoKα","","0.071","0.0625","","","0.1818","0.1885","","","","","","1.011","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077090","9.6306","0.0006","17.3884","0.0011","21.7493","0.0014","90","","95.884","0.001","90","","3623","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2,6,6-tetramethyl-3,5-bis(2,6-diisopropylphenylimido)heptyl isopropyl iron(ii)","","- C38 H60 Fe N2 -","- C38 H60 Fe N2 -","- C152 H240 Fe4 N8 -","4","1","","Smith, Jeremy M.; Lachicotte, Rene J.; Holland, Patrick L.","Three-Coordinate, 12-Electron Organometallic Complexes of Iron(II) Supported by a Bulky β-Diketiminate Ligand: Synthesis and Insertion of CO To Give Square-Pyramidal Complexes","Organometallics","2002","21","22","4808","","10.1021/om020571v","","","0.71073","MoKα","","0.0949","0.0675","","","0.155","0.1677","","","","","","1.073","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077091","9.5385","0.0008","12.5192","0.0011","17.0434","0.0015","72.705","0.002","82.442","0.002","67.729","0.001","1797.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,2,6,6-tetramethyl-3,5-bis(2,6-diisopropylphenylimido)heptyl carboxymethyl dicarbonyl iron(ii)","","- C39 H55 Fe N2 O3 -","- C39 H55 Fe N2 O3 -","- C78 H110 Fe2 N4 O6 -","2","1","","Smith, Jeremy M.; Lachicotte, Rene J.; Holland, Patrick L.","Three-Coordinate, 12-Electron Organometallic Complexes of Iron(II) Supported by a Bulky β-Diketiminate Ligand: Synthesis and Insertion of CO To Give Square-Pyramidal Complexes","Organometallics","2002","21","22","4808","","10.1021/om020571v","","","0.71073","MoKα","","0.0915","0.0675","","","0.1461","0.1549","","","","","","1.109","","","","has coordinates,has disorder","178659","2020-10-21","18:00:00","" "4077092","6.7543","0.0005","9.4464","0.0007","15.43","0.002","90","","95.152","0.005","90","","980.52","0.16","183.2","","183.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H15 Ge N O3 -","- C8 H15 Ge N O3 -","- C32 H60 Ge4 N4 O12 -","4","1","","Faller, J. W.; Kultyshev, Roman G.","Palladium-Catalyzed Cross-Coupling Reactions of Allyl, Phenyl, Alkenyl, and Alkynyl Germatranes with Aryl Iodides","Organometallics","2002","21","26","5911","","10.1021/om020578c","","","0.7107","MoKα","","0.045","0.038","","0.057","","0.054","","","1.58","","","1.64","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077093","27.1938","0.0013","12.3954","0.0006","24.2842","0.0011","90","","105.133","0.001","90","","7901.8","0.6","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H75.33 F6 O6 S2 U2 -","- C48 H75.3333 F6 O6 S2 U2 -","- C288 H452 F36 O36 S12 U12 -","6","1.5","","Kiplinger, Jaqueline L.; John, Kevin D.; Morris, David E.; Scott, Brian L.; Burns, Carol J.","[(C5Me5)2U(Me)(OTf)]2: A New Reagent for Uranium Metallocene Chemistry. Preparation of the First Actinide Hydrazonato Complexes","Organometallics","2002","21","21","4306","","10.1021/om0205804","","","0.71073","MoKα","","0.0688","0.0445","","","0.0844","0.0907","","","","","","1.183","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077094","14.1153","0.0008","9.1914","0.0006","24.6864","0.0015","90","","104.046","0.001","90","","3107","0.3","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 Cl N2 U -","- C34 H43 Cl N2 U -","- C136 H172 Cl4 N8 U4 -","4","1","","Kiplinger, Jaqueline L.; John, Kevin D.; Morris, David E.; Scott, Brian L.; Burns, Carol J.","[(C5Me5)2U(Me)(OTf)]2: A New Reagent for Uranium Metallocene Chemistry. Preparation of the First Actinide Hydrazonato Complexes","Organometallics","2002","21","21","4306","","10.1021/om0205804","","","0.71073","MoKα","","0.0504","0.0358","","","0.0828","0.0885","","","","","","1.041","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077095","13.1069","0.001","11.9922","0.0008","10.954","0.0008","90","","90","","90","","1721.8","0.2","203","2","203","2","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C35 H43 F3 N2 O3 S U -","- C37 F3 N2 O3 S U -","- C74 F6 N4 O6 S2 U2 -","2","0.5","","Kiplinger, Jaqueline L.; John, Kevin D.; Morris, David E.; Scott, Brian L.; Burns, Carol J.","[(C5Me5)2U(Me)(OTf)]2: A New Reagent for Uranium Metallocene Chemistry. Preparation of the First Actinide Hydrazonato Complexes","Organometallics","2002","21","21","4306","","10.1021/om0205804","","","0.71073","MoKα","","0.0711","0.0587","","","0.156","0.161","","","","","","1.439","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077096","10.5421","0.0009","14.1772","0.0014","11.9537","0.0013","90","","90.278","0.009","90","","1786.5","0.3","200","2","200","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C34 H39 Cl F6 N O P Rh Sb -","- C34 H39 Cl F6 N O P Rh Sb -","- C68 H78 Cl2 F12 N2 O2 P2 Rh2 Sb2 -","2","1","","Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar","Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§","Organometallics","2002","21","23","5100","","10.1021/om020582o","","","0.71073","MoKα","","0.0432","0.0399","","","0.1011","0.1035","","","","","","1.092","","","","has coordinates,has disorder","178659","2020-10-21","18:00:00","" "4077097","10.7042","0.0005","11.9454","0.0007","27.896","0.002","90","","90","","90","","3566.9","0.4","200","2","200","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 Cl F6 N O P Rh Sb -","- C34 H39 Cl F6 N O P Rh Sb -","- C136 H156 Cl4 F24 N4 O4 P4 Rh4 Sb4 -","4","1","","Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar","Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§","Organometallics","2002","21","23","5100","","10.1021/om020582o","","","0.71073","MoKα","","0.0508","0.038","","","0.0824","0.0856","","","","","","0.948","","","","has coordinates,has disorder","178659","2020-10-21","18:00:00","" "4077098","16.77","0.002","10.3402","0.0014","19.6038","0.0019","90","","99.276","0.009","90","","3354.9","0.7","200","2","200","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C32 H35 Cl F6 N O P Rh Sb -","- C32 H35 Cl F6 N O P Rh Sb -","- C128 H140 Cl4 F24 N4 O4 P4 Rh4 Sb4 -","4","2","","Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar","Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§","Organometallics","2002","21","23","5100","","10.1021/om020582o","","","0.71073","MoKα","","0.0434","0.0372","","","0.0951","0.0977","","","","","","1.087","","","","has coordinates,has disorder","178659","2020-10-21","18:00:00","" "4077099","10.992","0.002","14.157","0.003","22.863","0.004","90","","90","","90","","3557.8","1.2","200","2","200","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37.5 B Cl F4 N O1.25 P Rh -","- C32 H35 B Cl F4 N O P Rh -","- C128 H140 B4 Cl4 F16 N4 O4 P4 Rh4 -","4","1","","Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar","Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§","Organometallics","2002","21","23","5100","","10.1021/om020582o","","","0.71073","MoKα","","0.1151","0.0614","","","0.1119","0.1275","","","","","","0.949","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077100","11.895","0.0008","12.7601","0.0008","23.865","0.002","90","","90","","90","","3622.3","0.5","200","2","200","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C38 H37 Cl F6 N O P Rh Sb -","- C38 H37 Cl F6 N O P Rh Sb -","- C152 H148 Cl4 F24 N4 O4 P4 Rh4 Sb4 -","4","1","","Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar","Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§","Organometallics","2002","21","23","5100","","10.1021/om020582o","","","0.71073","MoKα","","0.0632","0.0418","","","0.0729","0.0815","","","","","","1.028","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077101","10.98","0.0011","14.34","0.0017","11.03","0.0015","90","","100.6","0.016","90","","1707.1","0.4","200","2","200","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C32 H35 F6 I N O P Rh Sb -","- C32 H35 F6 I N O P Rh Sb -","- C64 H70 F12 I2 N2 O2 P2 Rh2 Sb2 -","2","1","","Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar","Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§","Organometallics","2002","21","23","5100","","10.1021/om020582o","","","0.71073","MoKα","","0.0483","0.0378","","","0.0785","0.0858","","","","","","1.092","","","","has coordinates,has disorder","178660","2020-10-21","18:00:00","" "4077102","11.7815","0.0007","16.1335","0.001","17.2609","0.0013","90","","90","","90","","3280.9","0.4","200","2","200","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 B Cl F4 Ir N O P -","- C34 H39 B Cl F4 Ir N O P -","- C136 H156 B4 Cl4 F16 Ir4 N4 O4 P4 -","4","1","","Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar","Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§","Organometallics","2002","21","23","5100","","10.1021/om020582o","","","0.71073","MoKα","","0.0393","0.0313","","","0.0651","0.0667","","","","","","0.947","","","","has coordinates,has disorder","178660","2020-10-21","18:00:00","" "4077103","10.611","0.001","14.288","0.001","11.042","0.001","90","","101.129","0.004","90","","1642.6","0.2","200","2","200","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C32 H35 Cl F6 Ir N O P Sb -","- C32 H35 Cl F6 Ir N O P Sb -","- C64 H70 Cl2 F12 Ir2 N2 O2 P2 Sb2 -","2","1","","Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar","Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§","Organometallics","2002","21","23","5100","","10.1021/om020582o","","","0.71073","MoKα","","0.0363","0.0352","","","0.0891","0.0896","","","","","","1.031","","","","has coordinates,has disorder","178660","2020-10-21","18:00:00","" "4077104","8.8103","0.0018","15.798","0.003","13.853","0.003","90","","91.39","0.03","90","","1927.6","0.7","200","2","200","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C32.5 H36 Cl2 F6 Ir N O P Sb -","- C32.5 H35 Cl2 F5.94 Ir N O P Sb0.99 -","- C65 H70 Cl4 F11.88 Ir2 N2 O2 P2 Sb1.98 -","2","1","","Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar","Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§","Organometallics","2002","21","23","5100","","10.1021/om020582o","","","0.71073","MoKα","","0.0513","0.0478","","","0.1207","0.1255","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4077105","11.1225","0.0013","15.7307","0.0015","25.126","0.003","90","","90","","90","","4396.2","0.8","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C38 H47 F12 N O3 P Rh Sb2 -","- C38 H41 F12 N O3 P Rh Sb2 -","- C152 H164 F48 N4 O12 P4 Rh4 Sb8 -","4","1","","Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar","Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§","Organometallics","2002","21","23","5100","","10.1021/om020582o","","","0.71073","MoKα","","0.0638","0.0431","","","0.085","0.0894","","","","","","0.927","","","","has coordinates,has disorder","178660","2020-10-21","18:00:00","" "4077106","11.6742","0.0002","9.9214","0.0002","18.5938","0.0003","90","","95.042","0.001","90","","2145.28","0.07","123","2","123","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C30 H66 K Mg N3 Si6 -","- C30 H66 K Mg N3 Si6 -","- C60 H132 K2 Mg2 N6 Si12 -","2","1","","Forbes, Glenn C.; Kennedy, Alan R.; Mulvey, Robert E.; Roberts, Brett A.; Rowlings, René B.","Alkali Metal Cation−π Interactions Stabilized Solely by [M{N(SiMe3)2}3]-Anions (M = Mg or Zn): The Competing Influence of Alkali Metal···C(Me) Agostic Interactions","Organometallics","2002","21","23","5115","","10.1021/om020596u","","","0.71073","MoKα","","0.0517","0.0378","","","0.0772","0.083","","","","","","1.011","","","","has coordinates","301830","2025-08-20","13:17:25","" "4077107","11.506","0.002","11.676","0.004","17.819","0.005","83.78","0.03","74.15","0.02","86.35","0.02","2287.9","1.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H70 K Mg N3 Si6 -","- C32 H70 K Mg N3 Si6 -","- C64 H140 K2 Mg2 N6 Si12 -","2","1","","Forbes, Glenn C.; Kennedy, Alan R.; Mulvey, Robert E.; Roberts, Brett A.; Rowlings, René B.","Alkali Metal Cation−π Interactions Stabilized Solely by [M{N(SiMe3)2}3]-Anions (M = Mg or Zn): The Competing Influence of Alkali Metal···C(Me) Agostic Interactions","Organometallics","2002","21","23","5115","","10.1021/om020596u","","","0.71069","MoKα","","0.088","0.0532","","","0.1429","0.1645","","","","","","1.046","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077108","9.6143","0.0008","15.7648","0.0018","16.116","0.0019","72.529","0.01","74.898","0.007","77.439","0.008","2223.6","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H70 K Mg N3 Si6 -","- C32 H70 K Mg N3 Si6 -","- C64 H140 K2 Mg2 N6 Si12 -","2","1","","Forbes, Glenn C.; Kennedy, Alan R.; Mulvey, Robert E.; Roberts, Brett A.; Rowlings, René B.","Alkali Metal Cation−π Interactions Stabilized Solely by [M{N(SiMe3)2}3]-Anions (M = Mg or Zn): The Competing Influence of Alkali Metal···C(Me) Agostic Interactions","Organometallics","2002","21","23","5115","","10.1021/om020596u","","","0.71069","MoKα","","0.0441","0.0331","","","0.0916","0.0969","","","","","","1.06","","","","has coordinates","301830","2025-08-20","13:17:25","" "4077109","11.6299","0.0003","12.2471","0.0003","17.4976","0.0005","84.172","0.001","73.638","0.001","82.401","0.002","2364.87","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H74 K Mg N3 Si6 -","- C34 H74 K Mg N3 Si6 -","- C68 H148 K2 Mg2 N6 Si12 -","2","1","","Forbes, Glenn C.; Kennedy, Alan R.; Mulvey, Robert E.; Roberts, Brett A.; Rowlings, René B.","Alkali Metal Cation−π Interactions Stabilized Solely by [M{N(SiMe3)2}3]-Anions (M = Mg or Zn): The Competing Influence of Alkali Metal···C(Me) Agostic Interactions","Organometallics","2002","21","23","5115","","10.1021/om020596u","","","0.71069","MoKα","","0.0504","0.0362","","","0.0726","0.0778","","","","","","1.019","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077110","9.8699","0.0001","15.9917","0.0002","16.3728","0.0002","70.518","0.001","76.871","0.001","74.717","0.001","2322.4","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H74 K N3 Si6 Zn -","- C34 H74 K N3 Si6 Zn -","- C68 H148 K2 N6 Si12 Zn2 -","2","1","","Forbes, Glenn C.; Kennedy, Alan R.; Mulvey, Robert E.; Roberts, Brett A.; Rowlings, René B.","Alkali Metal Cation−π Interactions Stabilized Solely by [M{N(SiMe3)2}3]-Anions (M = Mg or Zn): The Competing Influence of Alkali Metal···C(Me) Agostic Interactions","Organometallics","2002","21","23","5115","","10.1021/om020596u","","","0.71073","MoKα","","0.0424","0.0297","","","0.0679","0.0726","","","","","","1.026","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25","" "4077111","18.8594","0.0004","14.4985","0.0003","20.047","0.0005","90","","110.136","0.001","90","","5146.5","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H78 Mg N3 Rb Si6 -","- C39 H78 Mg N3 Rb Si6 -","- C156 H312 Mg4 N12 Rb4 Si24 -","4","1","","Forbes, Glenn C.; Kennedy, Alan R.; Mulvey, Robert E.; Roberts, Brett A.; Rowlings, René B.","Alkali Metal Cation−π Interactions Stabilized Solely by [M{N(SiMe3)2}3]-Anions (M = Mg or Zn): The Competing Influence of Alkali Metal···C(Me) Agostic Interactions","Organometallics","2002","21","23","5115","","10.1021/om020596u","","","0.71073","MoKα","","0.081","0.0588","","","0.1304","0.1424","","","","","","1.11","","","","has coordinates","301830","2025-08-20","13:17:25","" "4077112","18.7511","0.0001","14.4159","0.0001","20.0262","0.0002","90","","110.103","0.001","90","","5083.56","0.07","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H78 N3 Rb Si6 Zn -","- C39 H78 N3 Rb Si6 Zn -","- C156 H312 N12 Rb4 Si24 Zn4 -","4","1","","Forbes, Glenn C.; Kennedy, Alan R.; Mulvey, Robert E.; Roberts, Brett A.; Rowlings, René B.","Alkali Metal Cation−π Interactions Stabilized Solely by [M{N(SiMe3)2}3]-Anions (M = Mg or Zn): The Competing Influence of Alkali Metal···C(Me) Agostic Interactions","Organometallics","2002","21","23","5115","","10.1021/om020596u","","","0.71073","MoKα","","0.0518","0.0434","","","0.1108","0.1165","","","","","","1.053","","","","has coordinates","301830","2025-08-20","13:17:25","" "4077113","12.1889","0.0004","13.311","0.0006","11.7458","0.0004","90","","90","","90","","1905.71","0.12","123","2","123","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H59 K2 N3 Si6 Zn -","- C23 H59 K2 N3 Si6 Zn -","- C46 H118 K4 N6 Si12 Zn2 -","2","0.5","","Forbes, Glenn C.; Kennedy, Alan R.; Mulvey, Robert E.; Roberts, Brett A.; Rowlings, René B.","Alkali Metal Cation−π Interactions Stabilized Solely by [M{N(SiMe3)2}3]-Anions (M = Mg or Zn): The Competing Influence of Alkali Metal···C(Me) Agostic Interactions","Organometallics","2002","21","23","5115","","10.1021/om020596u","","","0.71073","MoKα","","0.0454","0.0425","","","0.096","0.0976","","","","","","1.154","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25","" "4077114","11.158","0.002","12.752","0.004","11.969","0.002","90","","113.31","0.01","90","","1564","0.6","93.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Ru -","- C22 H22 Ru -","- C88 H88 Ru4 -","4","1","","Hirano, Masafumi; Shibasaki, Takao; Komiya, Sanshiro; Bennett, Martin A.","Synthesis of and Stereospecific Hydride Migration in Cationic (Tricyclic arene)(cyclooctadiene)ruthenium(II) Complexes","Organometallics","2002","21","26","5738","","10.1021/om0205997","","","0.7107","MoKα","","","0.0563","","","","0.0731","","","","","","1.802","","","","has coordinates","301830","2025-08-20","13:17:25","" "4077115","11.5238","0.0007","23.0239","0.0015","18.757","0.0009","90","","125.762","0.005","90","","4038.3","0.5","150","","150","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H45 Fe N O6 P2 -","- C45 H45 Fe N O6 P2 -","- C180 H180 Fe4 N4 O24 P8 -","4","1","","Siebenlist, Ron; Frühauf, Hans-Werner; Vrieze, Kees; Smeets, Wilberth J. J.; Spek, Anthony L.","1,3-Dipolar Cycloaddition to the Fe−OC Fragment. 19. Synthesis and Properties of Fe(CO)2(PR3)(R1NC(R2)−C(R3)O) and Fe(CO)(Ph2PCH2CH2PPh2)(R1NC(R2)−C(R3)O) and Their Reactivity toward Dipolarophiles. First X-ray Crystal Structure of the Initial Bicyclo[2.2.1] Adduct","Organometallics","2002","21","25","5628","","10.1021/om020605z","","","0.71073","MoK\α","","0.151","0.0692","","","0.1163","0.1356","","","","","","0.944","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077116","18.1475","0.0015","9.5981","0.0008","19.1255","0.0015","90","","114.107","0.002","90","","3040.8","0.4","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 F4 N O P -","- C17 H10 F4 N O P -","- C136 H80 F32 N8 O8 P8 -","8","2","","Bellabarba, Ronan M.; Nieuwenhuyzen, Mark; Saunders, Graham C.","Intramolecular Dehydrofluorinative Coupling of η5-Pentamethylcyclopentadienyl and Pentafluorophenylphosphine Ligands in Rhodium Complexes","Organometallics","2002","21","26","5726","","10.1021/om020612n","","","0.71073","MoKα","","0.1314","0.0517","","","0.123","0.1566","","","","","","0.859","","","","has coordinates","301830","2025-08-20","13:17:25","" "4077117","8.6204","0.0007","23.217","0.0019","18.0923","0.0015","90","","102.134","0.001","90","","3540.1","0.5","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35.5 H35 B Cl2 F8 N P2 Rh -","- C35.5 H35 B Cl2 F8 N P2 Rh -","- C142 H140 B4 Cl8 F32 N4 P8 Rh4 -","4","1","","Bellabarba, Ronan M.; Nieuwenhuyzen, Mark; Saunders, Graham C.","Intramolecular Dehydrofluorinative Coupling of η5-Pentamethylcyclopentadienyl and Pentafluorophenylphosphine Ligands in Rhodium Complexes","Organometallics","2002","21","26","5726","","10.1021/om020612n","","","0.71073","MoKα","","0.0401","0.0343","","","0.0841","0.0866","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4077118","9.7712","0.001","14.9173","0.0016","22.791","0.003","90","","90","","90","","3322","0.7","153","2","153","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 B Cl F7 N P2 Rh -","- C35 H33 B Cl F7 N P2 Rh -","- C140 H132 B4 Cl4 F28 N4 P8 Rh4 -","4","1","","Bellabarba, Ronan M.; Nieuwenhuyzen, Mark; Saunders, Graham C.","Intramolecular Dehydrofluorinative Coupling of η5-Pentamethylcyclopentadienyl and Pentafluorophenylphosphine Ligands in Rhodium Complexes","Organometallics","2002","21","26","5726","","10.1021/om020612n","","","0.71073","MoKα","","0.1393","0.0588","","","0.1221","0.1648","","","","","","0.943","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077119","12.2595","0.0008","14.1355","0.0009","14.7311","0.001","86.114","0.001","69.529","0.001","75.053","0.001","2310","0.3","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H20 B Cl7 F23 P2 Rh -","- C38 H20 B Cl7 F23 P2 Rh -","- C76 H40 B2 Cl14 F46 P4 Rh2 -","2","1","","Bellabarba, Ronan M.; Nieuwenhuyzen, Mark; Saunders, Graham C.","Intramolecular Dehydrofluorinative Coupling of η5-Pentamethylcyclopentadienyl and Pentafluorophenylphosphine Ligands in Rhodium Complexes","Organometallics","2002","21","26","5726","","10.1021/om020612n","","","0.71073","MoKα","","0.083","0.0507","","","0.1011","0.1144","","","","","","0.926","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077120","11.6484","0.0009","11.7516","0.001","17.7351","0.0014","93.233","0.002","102.549","0.001","112.306","0.001","2166.3","0.3","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H24 B Cl10 F13 P Rh S -","- C32 H24 B Cl10 F13 P Rh S -","- C64 H48 B2 Cl20 F26 P2 Rh2 S2 -","2","1","","Bellabarba, Ronan M.; Nieuwenhuyzen, Mark; Saunders, Graham C.","Intramolecular Dehydrofluorinative Coupling of η5-Pentamethylcyclopentadienyl and Pentafluorophenylphosphine Ligands in Rhodium Complexes","Organometallics","2002","21","26","5726","","10.1021/om020612n","","","0.71073","MoKα","","0.0701","0.047","","","0.11","0.1204","","","","","","0.935","","","","has coordinates,has disorder","178660","2020-10-21","18:00:00","" "4077121","8.267","0.004","35.806","0.019","8.288","0.004","90","","116.566","0.008","90","","2194.3","1.9","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 Cl2 F5 P Rh -","- C20 H25 Cl2 F5 P Rh -","- C80 H100 Cl8 F20 P4 Rh4 -","4","1","","Bellabarba, Ronan M.; Nieuwenhuyzen, Mark; Saunders, Graham C.","Intramolecular Dehydrofluorinative Coupling of η5-Pentamethylcyclopentadienyl and Pentafluorophenylphosphine Ligands in Rhodium Complexes","Organometallics","2002","21","26","5726","","10.1021/om020612n","","","0.71073","MoKα","","0.1511","0.0916","","","0.2242","0.2564","","","","","","0.953","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077122","40.246","0.003","19.777","0.003","17.734","0.004","89.99","0.02","91.03","0.02","90.02","0.02","14113","4","160","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C79 H72.5 O2.38 P3 Ru Si2 -","- C79 H72.5 O2.375 P3 Ru Si2 -","- C632 H580 O19 P24 Ru8 Si16 -","8","1","","Atheaux, Isabelle; Delpech, Fabien; Donnadieu, Bruno; Sabo-Etienne, Sylviane; Chaudret, Bruno; Hussein, Khansaa; Barthelat, Jean-Claude; Braun, Thomas; Duckett, Simon B.; Perutz, Robin N.","Exchange Processes in Complexes with Two Ruthenium (η2-Silane) Linkages: Role of the Secondary Interactions between Silicon and Hydrogen Atoms","Organometallics","2002","21","24","5347","","10.1021/om0206148","","","0.71073","MoKα","","0.0782","0.0485","","","0.1119","0.1244","","","","","","0.996","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4077123","8.344","0.002","22.033","0.005","15.031","0.003","90","","104.04","0.02","90","","2680.8","1.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound 4","","","- C25 H44 Cl Ir O P2 -","- C25 H44 Cl Ir O P2 -","- C100 H176 Cl4 Ir4 O4 P8 -","4","1","","Mohammad, Hani A. Y.; Grimm, Jost C.; Eichele, Klaus; Mack, Hans-Georg; Speiser, Bernd; Novak, Filip; Quintanilla, M. Gloria; Kaska, William C.; Mayer, Hermann A.","C−H Oxidative Addition with a (PCP)Ir(III)-Pincer Complex","Organometallics","2002","21","26","5775","","10.1021/om020621w","","","0.71073","MoKα","","0.0373","0.0328","","","0.0805","0.0827","","","","","","1.087","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077124","9.466","0.002","16.583","0.002","9.866","0.002","90","","92.97","0.02","90","","1546.6","0.5","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H46 P2 Pt -","- C30 H46 P2 Pt -","- C60 H92 P4 Pt2 -","2","1","","Jacob, Volker; Weakley, Timothy J. R.; Haley, Michael M.","Rearrangement of a σ-2-(Cycloprop-2-enyl)vinyl- to an η3-Cyclopentadienylplatinum(II) Complex. Selective Protonolysis of the Platinum−Methyl Bond","Organometallics","2002","21","24","5394","","10.1021/om0206507","","","0.71073","MoKα","","0.055","0.033","","0.07","","0.034","","","1.27","","","1.28","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077125","8.4097","0.0006","10.9877","0.0006","17.809","0.001","103.727","0.005","90.644","0.006","94.374","0.005","1593.22","0.17","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H43 F3 O2 P2 Pt -","- C31 H43 F3 O2 P2 Pt -","- C62 H86 F6 O4 P4 Pt2 -","2","1","","Jacob, Volker; Weakley, Timothy J. R.; Haley, Michael M.","Rearrangement of a σ-2-(Cycloprop-2-enyl)vinyl- to an η3-Cyclopentadienylplatinum(II) Complex. Selective Protonolysis of the Platinum−Methyl Bond","Organometallics","2002","21","24","5394","","10.1021/om0206507","","","0.71073","MoKα","","0.036","0.022","","0.055","","0.028","","","1.38","","","1.41","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077126","10.4228","0.0016","14.4761","0.0019","20.385","0.003","90","","90","","90","","3075.7","0.8","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H43 Cl P2 Pt -","- C29 H43 Cl P2 Pt -","- C116 H172 Cl4 P8 Pt4 -","4","1","","Jacob, Volker; Weakley, Timothy J. R.; Haley, Michael M.","Rearrangement of a σ-2-(Cycloprop-2-enyl)vinyl- to an η3-Cyclopentadienylplatinum(II) Complex. Selective Protonolysis of the Platinum−Methyl Bond","Organometallics","2002","21","24","5394","","10.1021/om0206507","","","0.71073","MoKα","","0.042","0.025","","0.063","","0.028","","","1.39","","","1.24","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077127","10.2058","0.0001","19.8003","0.0003","15.7152","0.0002","90","","108.025","0.001","90","","3019.84","0.07","150","1","150","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 B F5 N O3 P Pd -","- C31 H32 B F5 N O3 P Pd -","- C124 H128 B4 F20 N4 O12 P4 Pd4 -","4","1","","Chen, Chi-Li; Chen, Yi-Chun; Liu, Yi-Hong; Peng, Shie-Ming; Liu, Shiuh-Tzung","Initiation Steps for the Polymerization of Vinyl Ethers Promoted by Cationic Palladium Aqua Complexes","Organometallics","2002","21","24","5382","","10.1021/om020662s","","","0.71073","MoKα","","0.087","0.0592","","0.1275","0.1166","","","","1.092","1.134","1.134","","","","","has coordinates,has disorder","178660","2020-10-21","18:00:00","" "4077128","11.5566","0.0018","12.587","0.002","14.955","0.002","105.006","0.002","92.473","0.003","106.286","0.003","2001.1","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H60 B8 Er K O2 Si4 -","- C24 H60 B8 Er K O2 Si4 -","- C48 H120 B16 Er2 K2 O4 Si8 -","2","1","","Wang, Jianhui; Li, Shoujian; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Synthesis and Crystal Structure of a “Carbons Apart” Erbacarborane Sandwich: An Example of Novel, One-Pot, Two-Electron Reductive Cage Opening with Concomitant Metalation of the C2B4Carborane Ligand","Organometallics","2002","21","24","5149","","10.1021/om020663k","","","0.71073","MoKα","","0.0189","0.0179","","","0.0463","0.0466","","","","","","1.044","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077129","13.476","0.004","13.64","0.004","18.345","0.005","90","","108.55","0.01","90","","3196.9","1.6","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[RuCp(PPh3)(kappa2NN-py-N=CHPh)]PF6","","","- C35 H30 F6 N2 P2 Ru -","- C35 H30 F6 N2 P2 Ru -","- C140 H120 F24 N8 P8 Ru4 -","4","1","","Standfest-Hauser, Christina M.; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl","Novel Ruthenium-Mediated Conversion of Aldimines and Aminals to Aminocarbene Complexes","Organometallics","2002","21","23","4891","","10.1021/om020664c","","","0.71073","MoKα","","0.0464","0.0347","","","0.084","0.0933","","","","","","1.041","","","","has coordinates,has disorder","178660","2020-10-21","18:00:00","" "4077130","10.8413","0.0014","13.0004","0.0017","19.143","0.002","90","","100.784","0.002","90","","2650.4","0.6","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[RuCp(PMe3)(=CPhNH-py)]PF6.(Me2CO)","","","- C23 H30 F6 N2 O P2 Ru -","- C23 H30 F6 N2 O P2 Ru -","- C92 H120 F24 N8 O4 P8 Ru4 -","4","1","","Standfest-Hauser, Christina M.; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl","Novel Ruthenium-Mediated Conversion of Aldimines and Aminals to Aminocarbene Complexes","Organometallics","2002","21","23","4891","","10.1021/om020664c","","","0.71073","MoKα","","0.0224","0.0193","","","0.0468","0.0483","","","","","","1.032","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077131","8.6506","0.0017","14.09","0.003","15.045","0.003","81.75","0.03","78.43","0.03","72.21","0.03","1704","0.7","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H37 Mo O3 P3 S2 -","- C33 H37 Mo O3 P3 S2 -","- C66 H74 Mo2 O6 P6 S4 -","2","1","","Yih, Kuang-Hway; Lee, Gene-Hsiang; Huang, Shou-Ling; Wang, Yu","Syntheses, Reactivity, and Stereochemistry of η3-Allyl Dithio-Molybdenum Complexes: Crystal Structures ofendo-[Mo(η3-C3H5)(η2-S2CNC4H8)(CO)(η2-dppe)],endo-[Mo(η3-C3H5){η2-S2P(OEt)2}(CO)(η2-dppe)],exo-,endo-[Mo(η3-C3H5)(η2-S2CNC4H8)(CO)(η2-dppm)], andendo-[Mo(η3-C3H5){η2-S2P(OEt)2}(CO)(η2-dppm)]","Organometallics","2002","21","26","5767","","10.1021/om0207156","","","0.71073","MoKα","","0.0478","0.0322","","","0.0841","0.0897","","","","","","1.048","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077132","9.9149","0.0015","12.2355","0.0022","28.591","0.005","90","","95.052","0.013","90","","3455","1","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 Mo O3 P3 S2 -","- C34 H39 Mo O3 P3 S2 -","- C136 H156 Mo4 O12 P12 S8 -","4","1","","Yih, Kuang-Hway; Lee, Gene-Hsiang; Huang, Shou-Ling; Wang, Yu","Syntheses, Reactivity, and Stereochemistry of η3-Allyl Dithio-Molybdenum Complexes: Crystal Structures ofendo-[Mo(η3-C3H5)(η2-S2CNC4H8)(CO)(η2-dppe)],endo-[Mo(η3-C3H5){η2-S2P(OEt)2}(CO)(η2-dppe)],exo-,endo-[Mo(η3-C3H5)(η2-S2CNC4H8)(CO)(η2-dppm)], andendo-[Mo(η3-C3H5){η2-S2P(OEt)2}(CO)(η2-dppm)]","Organometallics","2002","21","26","5767","","10.1021/om0207156","","","0.71073","MolybdenumKα","","0.07","0.037","","0.045","0.043","","","","","1.63","1.63","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077133","13.1526","0.0001","15.8505","0.0001","17.4172","0.0001","116.064","0.0003","92.4616","0.0003","99.2887","0.0003","3192.35","0.04","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C68.5 H71 Cl Mo2 N2 O2 P4 S4 -","- C68.503 H71.01 Cl Mo2 N2 O2 P4 S4 -","- C137.006 H142.02 Cl2 Mo4 N4 O4 P8 S8 -","2","1","","Yih, Kuang-Hway; Lee, Gene-Hsiang; Huang, Shou-Ling; Wang, Yu","Syntheses, Reactivity, and Stereochemistry of η3-Allyl Dithio-Molybdenum Complexes: Crystal Structures ofendo-[Mo(η3-C3H5)(η2-S2CNC4H8)(CO)(η2-dppe)],endo-[Mo(η3-C3H5){η2-S2P(OEt)2}(CO)(η2-dppe)],exo-,endo-[Mo(η3-C3H5)(η2-S2CNC4H8)(CO)(η2-dppm)], andendo-[Mo(η3-C3H5){η2-S2P(OEt)2}(CO)(η2-dppm)]","Organometallics","2002","21","26","5767","","10.1021/om0207156","","","0.71073","MoKα","","0.0398","0.03","","","0.0754","0.0811","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4077134","11.32","0.0001","15.8152","0.0002","19.6732","0.0002","90","","90.3932","0.0004","90","","3521.97","0.07","150","1","150","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Cl2 Mo N O P2 S2 -","- C36 H39 Cl2 Mo N O P2 S2 -","- C144 H156 Cl8 Mo4 N4 O4 P8 S8 -","4","1","","Yih, Kuang-Hway; Lee, Gene-Hsiang; Huang, Shou-Ling; Wang, Yu","Syntheses, Reactivity, and Stereochemistry of η3-Allyl Dithio-Molybdenum Complexes: Crystal Structures ofendo-[Mo(η3-C3H5)(η2-S2CNC4H8)(CO)(η2-dppe)],endo-[Mo(η3-C3H5){η2-S2P(OEt)2}(CO)(η2-dppe)],exo-,endo-[Mo(η3-C3H5)(η2-S2CNC4H8)(CO)(η2-dppm)], andendo-[Mo(η3-C3H5){η2-S2P(OEt)2}(CO)(η2-dppm)]","Organometallics","2002","21","26","5767","","10.1021/om0207156","","","0.71073","MoKα","","0.0418","0.0291","","","0.074","0.0886","","","","","","1.118","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077135","9.089","0.0003","15.8105","0.0006","16.664","0.0006","117.853","","93.755","0.001","100.623","","2049.02","0.13","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","eta(5)-Cp*Co(2,3-Et2C2B4H3)-5-O(CH2)4-(eta(4)-C5Me5)Co(2,3-Et2C2B4H4-5-I)","","- C36 H65 B8 Co2 I O -","- C36 H64 B8 Co2 I O -","- C72 H128 B16 Co4 I2 O2 -","2","1","","Russell, J. Monte; Sabat, Michal; Grimes, Russell N.","Radical Substitution at Boron in Small Cobaltacarboranes. Conversion of η5-C5Me5to η4-C5Me5R Complexes1","Organometallics","2002","21","25","5613","","10.1021/om020716y","","","0.71073","MoKα","","0.0904","0.0567","","","0.1411","0.154","","","","","","0.922","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077136","14.2941","0.0011","11.4066","0.0009","21.372","0.0016","90","","93.074","0.002","90","","3479.6","0.5","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[K(18-C-6)] [eta(5)-Cp*Co(2,3-Et2C2B4H3-5-I)]","","- C28 H52 B4 Co I K O6 -","- C28 H52 B4 Co I K O6 -","- C112 H208 B16 Co4 I4 K4 O24 -","4","1","","Russell, J. Monte; Sabat, Michal; Grimes, Russell N.","Radical Substitution at Boron in Small Cobaltacarboranes. Conversion of η5-C5Me5to η4-C5Me5R Complexes1","Organometallics","2002","21","25","5613","","10.1021/om020716y","","","0.71073","MoKα","","0.1173","0.0497","","","0.0677","0.0765","","","","","","0.702","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077137","8.8292","0.0006","13.9778","0.0009","16.6964","0.0011","84.742","0.001","78.751","0.001","89.233","0.001","2012.4","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","eta(5)-Cp*Co(2,3-Et2C2B4H3-7-NMe2)","","- C18 H34 B4 Co N -","- C18 H26.5 B4 Co N -","- C72 H106 B16 Co4 N4 -","4","2","","Russell, J. Monte; Sabat, Michal; Grimes, Russell N.","Radical Substitution at Boron in Small Cobaltacarboranes. Conversion of η5-C5Me5to η4-C5Me5R Complexes1","Organometallics","2002","21","25","5613","","10.1021/om020716y","","","0.71073","MoKα","","0.0674","0.0464","","","0.1335","0.1426","","","","","","0.976","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077138","22.986","0.003","30.121","0.004","16.062","0.002","90","","129.574","0.002","90","","8571.9","1.9","153","2","153","","","","","","","","","8","C 1 c 1","C -2yc","9","","[(m2,h1:h4:h1-(1,4-bis(2-(diphenylphosphino)ethoxy)naphthalene))2Rh2] [BF4]2","","- C309 H272 B8 Cl6 F32 O17 P16 Rh8 -","- C309 H272 B8 Cl6 F32 O17 P16 Rh8 -","- C309 H272 B8 Cl6 F32 O17 P16 Rh8 -","1","0.25","","Holliday, Bradley J.; Jeon, You-Moon; Mirkin, Chad A.; Stern, Charlotte L.; Incarvito, Christopher D.; Zakharov, Lev N.; Sommer, Roger D.; Rheingold, Arnold L.","Probing the Mechanistic and Energetic Basis for the Weak-Link Approach to Supramolecular Coordination Complexes","Organometallics","2002","21","26","5713","","10.1021/om020739c","","","0.71069","MoKα","","0.0558","0.0483","","","0.131","0.1386","","","","","","1.092","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077139","10.693","0.002","12.056","0.002","18.979","0.003","84.261","0.003","89.892","0.003","83.049","0.003","2416.4","0.7","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","[(m2-1,4-bis(2-(diphenylphosphino)ethoxy)naphthalene)2Rh2(CD3CN)4] [BF4]2","","- C86 H88 B2 Cl4 F8 N4 O6 P4 Rh2 -","- C84 H80 B2 F8 N4 O4 P4 Rh2 -","- C84 H80 B2 F8 N4 O4 P4 Rh2 -","1","0.5","","Holliday, Bradley J.; Jeon, You-Moon; Mirkin, Chad A.; Stern, Charlotte L.; Incarvito, Christopher D.; Zakharov, Lev N.; Sommer, Roger D.; Rheingold, Arnold L.","Probing the Mechanistic and Energetic Basis for the Weak-Link Approach to Supramolecular Coordination Complexes","Organometallics","2002","21","26","5713","","10.1021/om020739c","","","0.71073","MoKα","","0.0947","0.0786","","","0.1911","0.2014","","","","","","1.15","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077140","11.3786","0.0006","19.4572","0.001","18.9976","0.001","90","","99.845","0.001","90","","4144","0.4","183","2","183","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[(m2-1,4-bis(2-(diphenylphosphino)ethoxy)naphthalene)2(CO)2Rh2 (CD3CN)2][BF4]2","","- C86 H80 B2 F8 N4 O6 P4 Rh2 -","- C86 H80 B2 F8 N4 O6 P4 Rh2 -","- C172 H160 B4 F16 N8 O12 P8 Rh4 -","2","0.5","","Holliday, Bradley J.; Jeon, You-Moon; Mirkin, Chad A.; Stern, Charlotte L.; Incarvito, Christopher D.; Zakharov, Lev N.; Sommer, Roger D.; Rheingold, Arnold L.","Probing the Mechanistic and Energetic Basis for the Weak-Link Approach to Supramolecular Coordination Complexes","Organometallics","2002","21","26","5713","","10.1021/om020739c","","","0.71073","MoKα","","0.0735","0.0454","","","0.1106","0.1248","","","","","","1.021","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077141","10.3886","0.0005","13.9509","0.0006","11.8759","0.0005","90","","103.952","0.001","90","","1670.4","0.13","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","eta1:eta4:eta1-1,4-bis(2-(diphenylphosphino)ethoxy)naphthalene)Rh][BF4]","","- C38 H34 B F4 O2 P2 Rh -","- C38 H34 B F4 O2 P2 Rh -","- C76 H68 B2 F8 O4 P4 Rh2 -","2","1","","Holliday, Bradley J.; Jeon, You-Moon; Mirkin, Chad A.; Stern, Charlotte L.; Incarvito, Christopher D.; Zakharov, Lev N.; Sommer, Roger D.; Rheingold, Arnold L.","Probing the Mechanistic and Energetic Basis for the Weak-Link Approach to Supramolecular Coordination Complexes","Organometallics","2002","21","26","5713","","10.1021/om020739c","","","0.71073","MoKα","","0.0208","0.0201","","","0.0534","0.0536","","","","","","1.031","","","","has coordinates","301830","2025-08-20","13:17:25","" "4077142","9.3844","0.001","11.1949","0.0012","13.4673","0.0014","69.404","0.008","84.271","0.008","83.508","0.008","1313.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 F3 O5 P S2 -","- C27 H24 F3 O5 P S2 -","- C54 H48 F6 O10 P2 S4 -","2","1","","Vicente, José; Singhal, Anshu R.; Jones, Peter G.","New Ylide−, Alkynyl−, and Mixed Alkynyl/Ylide−Gold(I) Complexes","Organometallics","2002","21","26","5887","","10.1021/om020753p","","","0.71073","MoKα","","0.0436","0.0342","","","0.0866","0.0899","","","","","","1.03","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25","" "4077143","10.7675","0.0016","14.957","0.002","16.499","0.002","90","","96.827","0.01","90","","2638.3","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26.5 H24 Au Cl2 O2 P S -","- C26.5 H24 Au Cl2 O2 P S -","- C106 H96 Au4 Cl8 O8 P4 S4 -","4","1","","Vicente, José; Singhal, Anshu R.; Jones, Peter G.","New Ylide−, Alkynyl−, and Mixed Alkynyl/Ylide−Gold(I) Complexes","Organometallics","2002","21","26","5887","","10.1021/om020753p","","","0.71073","MoKα","","0.0378","0.0233","","","0.0426","0.0446","","","","","","0.899","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4077144","13.3093","0.0008","18.7357","0.0012","17.7001","0.0012","90","","105.1","0.003","90","","4261.3","0.5","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Au2 Cl8 P2 -","- C40 H36 Au2 Cl8 P2 -","- C160 H144 Au8 Cl32 P8 -","4","1","","Vicente, José; Singhal, Anshu R.; Jones, Peter G.","New Ylide−, Alkynyl−, and Mixed Alkynyl/Ylide−Gold(I) Complexes","Organometallics","2002","21","26","5887","","10.1021/om020753p","","","0.71073","MoKα","","0.0358","0.0225","","","0.0506","0.0539","","","","","","0.978","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077145","16.7631","0.0012","15.732","0.0011","15.0215","0.0011","90","","111.1","0.004","90","","3695.8","0.5","133","2","133","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C45 H36 Au Cl P2 -","- C45 H36 Au Cl P2 -","- C180 H144 Au4 Cl4 P8 -","4","1","","Vicente, José; Singhal, Anshu R.; Jones, Peter G.","New Ylide−, Alkynyl−, and Mixed Alkynyl/Ylide−Gold(I) Complexes","Organometallics","2002","21","26","5887","","10.1021/om020753p","","","0.71073","MoKα","","0.028","0.0218","","","0.039","0.0401","","","","","","0.951","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077146","17.1531","0.0011","15.8402","0.0011","15.1264","0.0008","90","","112.657","0.003","90","","3792.8","0.4","133","2","133","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H38 Au Cl O P2 -","- C46 H38 Au Cl O P2 -","- C184 H152 Au4 Cl4 O4 P8 -","4","1","","Vicente, José; Singhal, Anshu R.; Jones, Peter G.","New Ylide−, Alkynyl−, and Mixed Alkynyl/Ylide−Gold(I) Complexes","Organometallics","2002","21","26","5887","","10.1021/om020753p","","","0.71073","MoKα","","0.0201","0.0179","","","0.0355","0.0359","","","","","","0.982","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077147","11.7875","0.0011","13.4391","0.0012","14.8753","0.0012","78.828","0.003","68.06","0.003","68.627","0.003","2030.9","0.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H42 Au N O3 P2 -","- C49 H42 Au N O3 P2 -","- C98 H84 Au2 N2 O6 P4 -","2","1","","Vicente, José; Singhal, Anshu R.; Jones, Peter G.","New Ylide−, Alkynyl−, and Mixed Alkynyl/Ylide−Gold(I) Complexes","Organometallics","2002","21","26","5887","","10.1021/om020753p","","","0.71073","MoKα","","0.0301","0.0244","","","0.0581","0.0597","","","","","","1.007","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077148","16.098","0.003","15.402","0.002","20.668","0.003","90","","106.222","0.01","90","","4920.4","1.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H46 Au F3 O7 P2 S3 -","- C53 H46 Au F3 O7 P2 S3 -","- C212 H184 Au4 F12 O28 P8 S12 -","4","1","","Vicente, José; Singhal, Anshu R.; Jones, Peter G.","New Ylide−, Alkynyl−, and Mixed Alkynyl/Ylide−Gold(I) Complexes","Organometallics","2002","21","26","5887","","10.1021/om020753p","","","0.71073","MoKα","","0.0507","0.0266","","","0.0484","0.0517","","","","","","0.853","","","","has coordinates,has disorder","301830","2025-08-20","13:17:25","" "4077149","6.6631","0.0005","7.7448","0.0007","17.686","0.002","78.034","0.009","80.883","0.009","71.114","0.008","840.65","0.14","143","1","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H24 B14 Ru -","- C8 H24 B14 Ru -","- C16 H48 B28 Ru2 -","2","1","","Ramachandran, Bhaskar M.; Trupia, Sabrina M.; Geiger, William E.; Carroll, Patrick J.; Sneddon, Larry G.","Synthetic, Structural, Chemical, and Electrochemical Studies of the Metallatricarbadecaboranyl Analogues of Ferrocene, Ruthenocene, and Osmocene and the Observation of a Reversibleη6−η4Tricarbadecaboranyl Coordination that Is Analogous to theη5−η3Cyclopentadienyl Ring-Slippage Process","Organometallics","2002","21","23","5078","","10.1021/om020757u","","","0.71069","MoKα","","0.0236","0.0208","","0.0495","0.0488","","","","1.017","1.046","1.046","","","","","has coordinates","198632","2020-10-21","18:00:00","" "4077150","10.706","0.003","12.373","0.003","6.828","0.002","92.45","0.02","94.08","0.02","105.7","0.02","866.7","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H24 B14 Os -","- C8 H24 B14 Os -","- C16 H48 B28 Os2 -","2","1","","Ramachandran, Bhaskar M.; Trupia, Sabrina M.; Geiger, William E.; Carroll, Patrick J.; Sneddon, Larry G.","Synthetic, Structural, Chemical, and Electrochemical Studies of the Metallatricarbadecaboranyl Analogues of Ferrocene, Ruthenocene, and Osmocene and the Observation of a Reversibleη6−η4Tricarbadecaboranyl Coordination that Is Analogous to theη5−η3Cyclopentadienyl Ring-Slippage Process","Organometallics","2002","21","23","5078","","10.1021/om020757u","","","0.71069","MoKα","","0.0904","0.0784","","0.1818","0.1709","","","","1.123","1.141","1.141","","","","","has coordinates","198632","2020-10-21","18:00:00","" "4077151","7.798","0.0006","17.6859","0.0011","6.6743","0.0004","99.126","0.005","109.228","0.004","78.123","0.004","846.41","0.1","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H24 B14 Os -","- C8 H24 B14 Os -","- C16 H48 B28 Os2 -","2","1","","Ramachandran, Bhaskar M.; Trupia, Sabrina M.; Geiger, William E.; Carroll, Patrick J.; Sneddon, Larry G.","Synthetic, Structural, Chemical, and Electrochemical Studies of the Metallatricarbadecaboranyl Analogues of Ferrocene, Ruthenocene, and Osmocene and the Observation of a Reversibleη6−η4Tricarbadecaboranyl Coordination that Is Analogous to theη5−η3Cyclopentadienyl Ring-Slippage Process","Organometallics","2002","21","23","5078","","10.1021/om020757u","","","0.71069","MoKα","","0.0529","0.05","","0.1372","0.1296","","","","1.073","1.04","1.04","","","","","has coordinates","198632","2020-10-21","18:00:00","" "4077152","8.0188","0.0003","15.4779","0.0007","6.7169","0.0002","97.413","0.002","107.522","0.003","76.351","0.003","771.02","0.05","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 B7 Fe -","- C14 H19 B7 Fe -","- C28 H38 B14 Fe2 -","2","1","","Ramachandran, Bhaskar M.; Trupia, Sabrina M.; Geiger, William E.; Carroll, Patrick J.; Sneddon, Larry G.","Synthetic, Structural, Chemical, and Electrochemical Studies of the Metallatricarbadecaboranyl Analogues of Ferrocene, Ruthenocene, and Osmocene and the Observation of a Reversibleη6−η4Tricarbadecaboranyl Coordination that Is Analogous to theη5−η3Cyclopentadienyl Ring-Slippage Process","Organometallics","2002","21","23","5078","","10.1021/om020757u","","","0.71069","MoKα","","0.0433","0.0407","","0.1029","0.1003","","","","1.04","1.043","1.043","","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077153","14.8296","0.0002","16.571","0.0001","9.7056","0.0001","96.141","0.001","97.725","0.001","115.837","0.001","2090.2","0.04","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H29 B7 Ru -","- C19 H29 B7 Ru -","- C76 H116 B28 Ru4 -","4","2","","Ramachandran, Bhaskar M.; Trupia, Sabrina M.; Geiger, William E.; Carroll, Patrick J.; Sneddon, Larry G.","Synthetic, Structural, Chemical, and Electrochemical Studies of the Metallatricarbadecaboranyl Analogues of Ferrocene, Ruthenocene, and Osmocene and the Observation of a Reversibleη6−η4Tricarbadecaboranyl Coordination that Is Analogous to theη5−η3Cyclopentadienyl Ring-Slippage Process","Organometallics","2002","21","23","5078","","10.1021/om020757u","","","0.71069","MoKα","","0.048","0.0439","","0.1105","0.1066","","","","1.121","1.124","1.124","","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077154","14.6585","0.0003","13.7293","0.0003","20.0208","0.0003","90","","102.64","0.001","90","","3931.55","0.13","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 B7 Cr Fe O3 -","- C17 H19 B7 Cr Fe O3 -","- C136 H152 B56 Cr8 Fe8 O24 -","8","2","","Ramachandran, Bhaskar M.; Trupia, Sabrina M.; Geiger, William E.; Carroll, Patrick J.; Sneddon, Larry G.","Synthetic, Structural, Chemical, and Electrochemical Studies of the Metallatricarbadecaboranyl Analogues of Ferrocene, Ruthenocene, and Osmocene and the Observation of a Reversibleη6−η4Tricarbadecaboranyl Coordination that Is Analogous to theη5−η3Cyclopentadienyl Ring-Slippage Process","Organometallics","2002","21","23","5078","","10.1021/om020757u","","","0.71069","MoKα","","0.0728","0.0632","","0.1442","0.1391","","","","1.189","1.213","1.213","","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077155","9.9335","0.0004","13.4379","0.0004","9.6881","0.0004","104.997","0.003","110.448","0.002","76.334","0.003","1155.16","0.08","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H36 B7 N Ru -","- C19 H36 B7 N Ru -","- C38 H72 B14 N2 Ru2 -","2","1","","Ramachandran, Bhaskar M.; Trupia, Sabrina M.; Geiger, William E.; Carroll, Patrick J.; Sneddon, Larry G.","Synthetic, Structural, Chemical, and Electrochemical Studies of the Metallatricarbadecaboranyl Analogues of Ferrocene, Ruthenocene, and Osmocene and the Observation of a Reversibleη6−η4Tricarbadecaboranyl Coordination that Is Analogous to theη5−η3Cyclopentadienyl Ring-Slippage Process","Organometallics","2002","21","23","5078","","10.1021/om020757u","","","0.71069","MoKα","","0.0594","0.0577","","0.1583","0.1562","","","","1.094","1.104","1.104","","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077156","10.5638","0.001","9.6335","0.0005","11.0574","0.001","90","","113.37","0.003","90","","1032.96","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H28 B7 Fe N -","- C19 H28 B7 Fe N -","- C38 H56 B14 Fe2 N2 -","2","1","","Ramachandran, Bhaskar M.; Trupia, Sabrina M.; Geiger, William E.; Carroll, Patrick J.; Sneddon, Larry G.","Synthetic, Structural, Chemical, and Electrochemical Studies of the Metallatricarbadecaboranyl Analogues of Ferrocene, Ruthenocene, and Osmocene and the Observation of a Reversibleη6−η4Tricarbadecaboranyl Coordination that Is Analogous to theη5−η3Cyclopentadienyl Ring-Slippage Process","Organometallics","2002","21","23","5078","","10.1021/om020757u","","","0.71069","MoKα","","0.0824","0.078","","0.2143","0.209","","","","1.1","1.107","1.107","","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077157","7.2351","0.0009","20.9","0.003","9.3366","0.0012","90","","90.886","0.003","90","","1411.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 B10 -","- C10 H18 B10 -","- C40 H72 B40 -","4","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of ‘Carbons-Adjacent'nido- andarachno-Carborane Anions of the C2B10Systems and Their Metal Complexes","Organometallics","2002","21","24","5415","","10.1021/om020809f","","","0.71073","MoKα","","0.115","0.0572","","","0.1403","0.177","","","","","","1.052","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077158","6.6799","0.0013","12.698","0.003","21.689","0.004","90","","90","","90","","1839.7","0.7","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C16 H22 B10 -","- C16 H20 B10 -","- C64 H80 B40 -","4","0.5","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of ‘Carbons-Adjacent'nido- andarachno-Carborane Anions of the C2B10Systems and Their Metal Complexes","Organometallics","2002","21","24","5415","","10.1021/om020809f","","","0.71073","MoKα","","0.1281","0.0664","","","0.1935","0.2282","","","","","","1.022","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077159","11.7671","0.0017","11.7823","0.0016","12.4196","0.0019","103.805","0.003","90.036","0.003","116.463","0.003","1485.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H42 B10 Na2 O3 -","- C22 H42 B10 Na2 O3 -","- C44 H84 B20 Na4 O6 -","2","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of ‘Carbons-Adjacent'nido- andarachno-Carborane Anions of the C2B10Systems and Their Metal Complexes","Organometallics","2002","21","24","5415","","10.1021/om020809f","","","0.71073","MoKα","","0.1386","0.0675","","","0.1677","0.2102","","","","","","0.949","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077160","11.6454","0.0007","12.2087","0.0007","16.1936","0.001","97.773","0.001","103.456","0.001","104.23","0.001","2124.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H114 B20 K4 N2 O18 -","- C60 H108 B20 K4 N2 O18 -","- C60 H108 B20 K4 N2 O18 -","1","0.5","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of ‘Carbons-Adjacent'nido- andarachno-Carborane Anions of the C2B10Systems and Their Metal Complexes","Organometallics","2002","21","24","5415","","10.1021/om020809f","","","0.71073","MoKα","","0.1165","0.0597","","","0.1583","0.1882","","","","","","0.858","","","","has coordinates,has disorder","178660","2020-10-21","18:00:00","" "4077161","13.253","0.003","11.361","0.002","21.675","0.004","90","","106.01","0.03","90","","3137","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H44 B10 K O6.5 -","- C22 H43 B10 K O6.5 -","- C88 H172 B40 K4 O26 -","4","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of ‘Carbons-Adjacent'nido- andarachno-Carborane Anions of the C2B10Systems and Their Metal Complexes","Organometallics","2002","21","24","5415","","10.1021/om020809f","","","0.71073","MoKα","","0.1839","0.0787","","","0.2076","0.2583","","","","","","1.007","","","","has coordinates","264242","2021-04-16","08:51:06","" "4077162","8.9528","0.001","18.667","0.002","18.642","0.002","90","","101.116","0.002","90","","3057","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H43 B10 K O6 -","- C22 H43 B10 K O6 -","- C88 H172 B40 K4 O24 -","4","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of ‘Carbons-Adjacent'nido- andarachno-Carborane Anions of the C2B10Systems and Their Metal Complexes","Organometallics","2002","21","24","5415","","10.1021/om020809f","","","0.71073","MoKα","","0.0859","0.0634","","","0.1711","0.1887","","","","","","1.039","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077163","12.9624","0.0008","19.3838","0.0012","15.6977","0.001","90","","105.065","0.002","90","","3808.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H53 B10 K O7 -","- C30 H53 B10 K O7 -","- C120 H212 B40 K4 O28 -","4","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of ‘Carbons-Adjacent'nido- andarachno-Carborane Anions of the C2B10Systems and Their Metal Complexes","Organometallics","2002","21","24","5415","","10.1021/om020809f","","","0.71073","MoKα","","0.1477","0.0585","","","0.1372","0.184","","","","","","0.961","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077164","25.2027","0.0015","13.9213","0.0008","11.4686","0.0007","90","","90","","90","","4023.8","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H54 B10 Na2 O4 -","- C32 H54 B10 Na2 O4 -","- C128 H216 B40 Na8 O16 -","4","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of ‘Carbons-Adjacent'nido- andarachno-Carborane Anions of the C2B10Systems and Their Metal Complexes","Organometallics","2002","21","24","5415","","10.1021/om020809f","","","0.71073","MoKα","","0.1181","0.0704","","","0.1726","0.1986","","","","","","0.93","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077165","11.922","0.008","12.742","0.008","14.538","0.01","88.423","0.015","89.103","0.016","86.097","0.016","2202","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H66 B10 Li4 O6 -","- C34 H66 B10 Li4 O6 -","- C68 H132 B20 Li8 O12 -","2","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of ‘Carbons-Adjacent'nido- andarachno-Carborane Anions of the C2B10Systems and Their Metal Complexes","Organometallics","2002","21","24","5415","","10.1021/om020809f","","","0.71073","MoKα","","0.1477","0.0861","","","0.242","0.2874","","","","","","0.943","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077166","11.429","0.003","12.784","0.003","14.486","0.004","69.766","0.005","79.778","0.006","86.327","0.007","1954.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H60 B10 Li4 O6 -","- C30 H60 B10 Li4 O6 -","- C60 H120 B20 Li8 O12 -","2","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of ‘Carbons-Adjacent'nido- andarachno-Carborane Anions of the C2B10Systems and Their Metal Complexes","Organometallics","2002","21","24","5415","","10.1021/om020809f","","","0.71073","MoKα","","0.1515","0.0765","","","0.2023","0.2518","","","","","","0.959","","","","has coordinates,has disorder","178660","2020-10-21","18:00:00","" "4077167","8.9","0.003","9.559","0.003","11.956","0.004","90","","104.452","0.006","90","","985","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 Li N2 O -","- C8 H13 Li N2 O -","- C32 H52 Li4 N8 O4 -","4","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of ‘Carbons-Adjacent'nido- andarachno-Carborane Anions of the C2B10Systems and Their Metal Complexes","Organometallics","2002","21","24","5415","","10.1021/om020809f","","","0.71073","MoKα","","0.0996","0.0794","","","0.2469","0.2738","","","","","","1.152","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077168","26.977","0.002","12.8293","0.001","11.6629","0.0009","90","","90","","90","","4036.5","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H61 B10 K O8 -","- C30 H61 B10 K O8 -","- C120 H244 B40 K4 O32 -","4","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of ‘Carbons-Adjacent'nido- andarachno-Carborane Anions of the C2B10Systems and Their Metal Complexes","Organometallics","2002","21","24","5415","","10.1021/om020809f","","","0.71073","MoKα","","0.1706","0.0745","","","0.1917","0.2548","","","","","","0.92","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077169","8.5796","0.0007","14.8697","0.0012","14.2085","0.0012","90","","91.411","0.002","90","","1812.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 P Zr -","- C21 H25 P Zr -","- C84 H100 P4 Zr4 -","4","1","","Ramakrishna, T. V. V.; Lushnikova, Svetlana; Sharp, Paul R.","Cp2Zr(η2-benzocyclobutadiene)(PMe3), a Rare η2-Cyclobutadiene Complex","Organometallics","2002","21","26","5685","","10.1021/om020829h","","","0.7107","MoKα","","0.047","0.0413","","","0.1058","0.1096","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077170","8.5915","0.0016","19.945","0.004","15.72","0.003","90","","98.407","0.004","90","","2664.8","0.9","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35.5 H30 Zr -","- C35.5 H29.5 Zr -","- C142 H118 Zr4 -","4","1","","Ramakrishna, T. V. V.; Lushnikova, Svetlana; Sharp, Paul R.","Cp2Zr(η2-benzocyclobutadiene)(PMe3), a Rare η2-Cyclobutadiene Complex","Organometallics","2002","21","26","5685","","10.1021/om020829h","","","0.7107","MoKα","","0.2486","0.1101","","","0.2765","0.3436","","","","","","0.977","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077171","13.396","0.002","16.028","0.003","9.62","0.0016","90","","108.487","0.003","90","","1958.9","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N Zr -","- C23 H25 N Zr -","- C92 H100 N4 Zr4 -","4","1","","Ramakrishna, T. V. V.; Lushnikova, Svetlana; Sharp, Paul R.","Cp2Zr(η2-benzocyclobutadiene)(PMe3), a Rare η2-Cyclobutadiene Complex","Organometallics","2002","21","26","5685","","10.1021/om020829h","","","0.71073","MoKα","","0.0436","0.031","","","0.0771","0.0828","","","","","","1.026","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077172","8.877","0.0013","27.103","0.004","30.421","0.004","90","","90","","90","","7319.1","1.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 N2 Zr -","- C28 H34 N2 Zr -","- C336 H408 N24 Zr12 -","12","3","","Ramakrishna, T. V. V.; Lushnikova, Svetlana; Sharp, Paul R.","Cp2Zr(η2-benzocyclobutadiene)(PMe3), a Rare η2-Cyclobutadiene Complex","Organometallics","2002","21","26","5685","","10.1021/om020829h","","","0.71073","MoKα","","0.1456","0.1007","","","0.2563","0.3004","","","","","","1.053","","","","has coordinates","178660","2020-10-21","18:00:00","" "4084038","17.183","0.011","15.182","0.007","22.861","0.013","90","","111.64","0.05","90","","5543","6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H62 Cl N3 O2 P2 Ru -","- C62 H62 Cl N3 O2 P2 Ru -","- C248 H248 Cl4 N12 O8 P8 Ru4 -","4","1","","Panda, Bikash Kumar; Chattopadhyay, Swarup; Ghosh, Kaushik; Chakravorty, Animesh","Isonitrile Insertion into the Ru−O Bond and Migratory C−C Bond Formation. Novel Organoruthenium Imidic Ester and Acyl Species","Organometallics","2002","21","13","2773","","10.1021/om020059+","","","0.71073","MoKα","","0.1045","0.0499","","0.1762","0.1287","","","","0.958","0.956","0.956","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4084039","16.028","0.005","14.445","0.003","21.263","0.007","90","","92.18","0.03","90","","4919","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H51 Cl N2 O2 P2 Ru -","- C56 H51 Cl N2 O2 P2 Ru -","- C224 H204 Cl4 N8 O8 P8 Ru4 -","4","1","","Panda, Bikash Kumar; Chattopadhyay, Swarup; Ghosh, Kaushik; Chakravorty, Animesh","Isonitrile Insertion into the Ru−O Bond and Migratory C−C Bond Formation. Novel Organoruthenium Imidic Ester and Acyl Species","Organometallics","2002","21","13","2773","","10.1021/om020059+","","","0.71073","MoKα","","0.0719","0.0508","","0.1997","0.1466","","","","1.269","1.253","1.253","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4084040","14.902","0.005","20.57","0.007","21.407","0.007","90","","90","","90","","6562","4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H66 Cl5 N3 O2 P2 Ru -","- C64 H66 Cl5 N3 O2 P2 Ru -","- C256 H264 Cl20 N12 O8 P8 Ru4 -","4","1","","Panda, Bikash Kumar; Chattopadhyay, Swarup; Ghosh, Kaushik; Chakravorty, Animesh","Isonitrile Insertion into the Ru−O Bond and Migratory C−C Bond Formation. Novel Organoruthenium Imidic Ester and Acyl Species","Organometallics","2002","21","13","2773","","10.1021/om020059+","","","0.71073","MoKα","","0.1162","0.0662","","0.2597","0.1639","","","","1.04","1.043","1.043","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4084041","11.2119","0.0007","13.619","0.0009","24.6084","0.0016","77.528","0.001","79.295","0.001","68.667","0.001","3393.7","0.4","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H120 Cl2 P4 Ru2 -","- C68 H120 Cl2 P4 Ru2 -","- C136 H240 Cl4 P8 Ru4 -","2","1","","Amoroso, Dino; Yap, Glenn P. A.; Fogg, Deryn E.","Deactivation of Ruthenium Metathesis Catalysts via Facile Formation of Face-Bridged Dimers","Organometallics","2002","21","16","3335","","10.1021/om0110888","","","0.71073","MoKα","","0.0385","0.0273","","","0.0604","0.062","","","","","","1.012","","","","has coordinates","211332","2020-10-21","18:00:00","" "4084042","11.7069","0.0016","14.1411","0.0019","22.14","0.003","95.066","0.003","93.018","0.002","112.186","0.002","3365.9","0.8","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H119 Cl4 P4 Ru2 -","- C64 H119 Cl4 P4 Ru2 -","- C128 H238 Cl8 P8 Ru4 -","2","1","","Amoroso, Dino; Yap, Glenn P. A.; Fogg, Deryn E.","Deactivation of Ruthenium Metathesis Catalysts via Facile Formation of Face-Bridged Dimers","Organometallics","2002","21","16","3335","","10.1021/om0110888","","","0.71073","MoKα","","0.1076","0.054","","","0.103","0.1126","","","","","","1.038","","","","has coordinates","178729","2020-10-21","18:00:00","" "4084043","13.7295","0.0001","9.1306","0.0002","9.3149","0.0001","90","","90","","90","","1167.7","0.03","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H11 Cr O2 P S -","- C9 H11 Cr O2 P S -","- C36 H44 Cr4 O8 P4 S4 -","4","1","","Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Vittal, Jagadese J.; Haiduc, Ionel","An Organometallic Radical Route to Bis(phosphido)- and Hydrido−Phosphido-Bridged Metal−Metal-Bonded Complexes of Cyclopentadienylchromium via Desulfurization of Thiophosphinito Ligands","Organometallics","2002","21","24","5287","","10.1021/om0203680","","","0.71073","MoKα","","0.0296","0.024","","","0.0553","0.0572","","","","","","0.996","","","","has coordinates","178729","2020-10-21","18:00:00","" "4084044","6.9897","0.0001","13.235","0.0002","14.0795","0.0003","90","","90","","90","","1302.48","0.04","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Cr O2 P S -","- C11 H15 Cr O2 P S -","- C44 H60 Cr4 O8 P4 S4 -","4","1","","Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Vittal, Jagadese J.; Haiduc, Ionel","An Organometallic Radical Route to Bis(phosphido)- and Hydrido−Phosphido-Bridged Metal−Metal-Bonded Complexes of Cyclopentadienylchromium via Desulfurization of Thiophosphinito Ligands","Organometallics","2002","21","24","5287","","10.1021/om0203680","","","0.71073","MoKα","","0.0873","0.0496","","","0.118","0.1268","","","","","","0.956","","","","has coordinates","178729","2020-10-21","18:00:00","" "4084045","7.5549","0.0006","15.8836","0.0012","14.1392","0.0011","90","","98.359","0.002","90","","1678.7","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Cr2 O4 P -","- C16 H17 Cr2 O4 P -","- C64 H68 Cr8 O16 P4 -","4","1","","Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Vittal, Jagadese J.; Haiduc, Ionel","An Organometallic Radical Route to Bis(phosphido)- and Hydrido−Phosphido-Bridged Metal−Metal-Bonded Complexes of Cyclopentadienylchromium via Desulfurization of Thiophosphinito Ligands","Organometallics","2002","21","24","5287","","10.1021/om0203680","","","0.71073","MoKα","","0.0693","0.0557","","","0.1277","0.1334","","","","","","1.166","","","","has coordinates","178729","2020-10-21","18:00:00","" "4084046","16.7624","0.0009","15.1333","0.0008","16.7583","0.0008","90","","117.369","0.002","90","","3775.2","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Cr2 O4 P -","- C18 H21 Cr2 O4 P -","- C144 H168 Cr16 O32 P8 -","8","2","","Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Vittal, Jagadese J.; Haiduc, Ionel","An Organometallic Radical Route to Bis(phosphido)- and Hydrido−Phosphido-Bridged Metal−Metal-Bonded Complexes of Cyclopentadienylchromium via Desulfurization of Thiophosphinito Ligands","Organometallics","2002","21","24","5287","","10.1021/om0203680","","","0.71073","MoKα","","0.0742","0.0626","","","0.126","0.1311","","","","","","1.099","","","","has coordinates","178729","2020-10-21","18:00:00","" "4084047","8.1796","0.0007","10.7038","0.0009","10.3067","0.0009","90","","102.613","0.002","90","","880.6","0.13","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cr2 O2 P2 -","- C16 H22 Cr2 O2 P2 -","- C32 H44 Cr4 O4 P4 -","2","0.5","","Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Vittal, Jagadese J.; Haiduc, Ionel","An Organometallic Radical Route to Bis(phosphido)- and Hydrido−Phosphido-Bridged Metal−Metal-Bonded Complexes of Cyclopentadienylchromium via Desulfurization of Thiophosphinito Ligands","Organometallics","2002","21","24","5287","","10.1021/om0203680","","","0.71073","MoKα","","0.0555","0.0402","","","0.089","0.0976","","","","","","1.002","","","","has coordinates","178729","2020-10-21","18:00:00","" "4084048","9.6524","0.0005","27.9082","0.0014","15.5775","0.0008","90","","106.071","0.001","90","","4032.3","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cr3 O2 P S -","- C19 H21 Cr3 O2 P S -","- C152 H168 Cr24 O16 P8 S8 -","8","2","","Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Vittal, Jagadese J.; Haiduc, Ionel","An Organometallic Radical Route to Bis(phosphido)- and Hydrido−Phosphido-Bridged Metal−Metal-Bonded Complexes of Cyclopentadienylchromium via Desulfurization of Thiophosphinito Ligands","Organometallics","2002","21","24","5287","","10.1021/om0203680","","","0.71073","MoKα","","0.058","0.0428","","","0.1003","0.1067","","","","","","0.982","","","","has coordinates","178729","2020-10-21","18:00:00","" "4084049","13.503","0.001","17.697","0.002","20.11","0.002","90","","105.742","0.002","90","","4625.3","0.8","203","2","203","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C44 H77 Cl N2 P2 Ru Si -","- C44 H77 Cl N2 P2 Ru Si -","- C176 H308 Cl4 N8 P8 Ru4 Si4 -","4","2","","Amoroso, Dino; Haaf, Michael; Yap, Glenn P. A.; West, Robert; Fogg, Deryn E.","A Stable Silylene in a Reactive Environment: Synthesis, Reactivity, and Silicon Extrusion Chemistry of a Coordinatively Unsaturated Ruthenium Silylene Complex Containing Chloride and η3-P‒C‒P Ligands","Organometallics","2002","21","3","534","540","10.1021/om0101801","","","0.71073","MoKα","","0.0513","0.0388","","","0.0819","0.0843","","","","","","1.021","","","","has coordinates","219035","2020-10-21","18:00:00","" "4084050","11.622","0.0009","13.5699","0.001","22.7781","0.0017","89.723","0.001","86.837","0.001","66.508","0.001","3289","0.4","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H109 Cl3 N2 P4 Ru2 -","- C62 H108 Cl3 N2 P4 Ru2 -","- C124 H216 Cl6 N4 P8 Ru4 -","2","1","","Amoroso, Dino; Haaf, Michael; Yap, Glenn P. A.; West, Robert; Fogg, Deryn E.","A Stable Silylene in a Reactive Environment: Synthesis, Reactivity, and Silicon Extrusion Chemistry of a Coordinatively Unsaturated Ruthenium Silylene Complex Containing Chloride and η3-P‒C‒P Ligands","Organometallics","2002","21","3","534","540","10.1021/om0101801","","","0.71073","MoKα","","0.0971","0.0487","","","0.0964","0.1059","","","","","","1.028","","","","has coordinates","219035","2020-10-21","18:00:00","" "4084051","11.2119","0.0007","13.619","0.0009","24.6084","0.0016","77.528","0.001","79.295","0.001","68.667","0.001","3393.7","0.4","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H120 Cl2 P4 Ru2 -","- C68 H120 Cl2 P4 Ru2 -","- C136 H240 Cl4 P8 Ru4 -","2","1","","Amoroso, Dino; Haaf, Michael; Yap, Glenn P. A.; West, Robert; Fogg, Deryn E.","A Stable Silylene in a Reactive Environment: Synthesis, Reactivity, and Silicon Extrusion Chemistry of a Coordinatively Unsaturated Ruthenium Silylene Complex Containing Chloride and η3-P‒C‒P Ligands","Organometallics","2002","21","3","534","540","10.1021/om0101801","","","0.71073","MoKα","","0.0385","0.0273","","","0.0604","0.062","","","","","","1.012","","","","has coordinates","219035","2020-10-21","18:00:00","" "4084052","11.666","0.003","18.668","0.004","15.406","0.003","90","","98.36","0.02","90","","3319.5","1.3","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H34 B F10 N2 Ta -","- C37 H34 B F10 N2 Ta -","- C148 H136 B4 F40 N8 Ta4 -","4","1","","Cook, Kevin S.; Piers, Warren E.; Hayes, Paul G.; Parvez, Masood","Reactions of a Borataalkene Ligand at Tantalocene Centers: Isonitrile Insertion into the B−C Bond of the [CH2B(C6F5)2] Ligand via the η1Bonding Mode","Organometallics","2002","21","12","2422","","10.1021/om020145+","","","0.7107","MoKα","","0.0304","0.0304","","0.0295","0.0295","","","","1.525","1.525","1.525","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4084053","12.36","0.006","16.735","0.008","17.747","0.009","90","","90","","90","","3671","3","203","2","203","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 Fe N -","- C23 H23 Fe N -","- C184 H184 Fe8 N8 -","8","1","","Enders, Markus; Ludwig, Gunter; Pritzkow, Hans","Novel Reactivity of Ferrocene Derivatives toward Lewis Acids: Decomplexation with Boron Trichloride and Synthesis of a Triple-Decker-like Iron−Zinc Complex†","Organometallics","2002","21","19","3856","","10.1021/om020306+","","","0.71069","MoKα","","0.1297","0.0539","","","0.1039","0.1256","","","","","","0.998","","","","has coordinates","178729","2020-10-21","18:00:00","" "4084054","8.5871","0.0001","8.8698","0.0001","15.6731","0.0002","106.293","0.001","90.759","0.001","114.176","0.001","1034.06","0.02","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Cl2 Fe N Zn -","- C23 H23 Cl2 Fe N Zn -","- C46 H46 Cl4 Fe2 N2 Zn2 -","2","1","","Enders, Markus; Ludwig, Gunter; Pritzkow, Hans","Novel Reactivity of Ferrocene Derivatives toward Lewis Acids: Decomplexation with Boron Trichloride and Synthesis of a Triple-Decker-like Iron−Zinc Complex†","Organometallics","2002","21","19","3856","","10.1021/om020306+","","","0.71073","MoKα","","0.0382","0.0271","","","0.0655","0.0694","","","","","","0.973","","","","has coordinates","178729","2020-10-21","18:00:00","" "4084055","7.737","0.004","17.122","0.01","12.854","0.007","90","","92.84","0.04","90","","1700.7","1.6","203","2","203","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H18 B Cl2 N -","- C18 H18 B Cl2 N -","- C72 H72 B4 Cl8 N4 -","4","1","","Enders, Markus; Ludwig, Gunter; Pritzkow, Hans","Novel Reactivity of Ferrocene Derivatives toward Lewis Acids: Decomplexation with Boron Trichloride and Synthesis of a Triple-Decker-like Iron−Zinc Complex†","Organometallics","2002","21","19","3856","","10.1021/om020306+","","","0.71073","MoKα","","0.207","0.0714","","","0.1402","0.1802","","","","","","0.971","","","","has coordinates","301831","2025-08-20","13:52:25","" "4089318","17.838","0.005","18.828","0.004","15.023","0.003","104.37","0.02","101.63","0.02","115.85","0.02","4111","2","296.2","","296.2","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H82 I O P2 Rh Si2 -","- C41 H46 I O P2 Rh Si2 -","- C164 H184 I4 O4 P8 Rh4 Si8 -","4","2","","Nishihara, Yasushi; Takemura, Miwa; Osakada, Kohtaro","Structure and Properties of Halogeno(hydrido)(triorganosilyl)rhodium(III) Complexes, RhX(H)(SiR1nR23-n)(PPh3)2(X = Cl, I; R1= OSiMe3, OEt, R2= Me). Influence of the Alkoxy Groups and Halo Ligand on Stability and Reactivity of the Complexes","Organometallics","2002","21","5","825","","10.1021/om010862o","","","0.7107","MoKα","","0.0357","0.036","","0.026","","0.026","","","1.353","","","1.35","","","","has coordinates","251896","2020-10-21","18:00:00","" "4089319","13.171","0.003","13.706","0.003","12.637","0.002","112.62","0.01","101.99","0.02","88.5","0.02","2056.2","0.8","296.2","","296.2","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H46 I O3 P2 Rh Si -","- C42 H46 I O3 P2 Rh Si -","- C84 H92 I2 O6 P4 Rh2 Si2 -","2","1","","Nishihara, Yasushi; Takemura, Miwa; Osakada, Kohtaro","Structure and Properties of Halogeno(hydrido)(triorganosilyl)rhodium(III) Complexes, RhX(H)(SiR1nR23-n)(PPh3)2(X = Cl, I; R1= OSiMe3, OEt, R2= Me). Influence of the Alkoxy Groups and Halo Ligand on Stability and Reactivity of the Complexes","Organometallics","2002","21","5","825","","10.1021/om010862o","","","0.7107","MoKα","","0.0399","0.04","","0.03","","0.03","","","1.652","","","1.65","","","","has coordinates","244975","2020-10-21","18:00:00","" "4089320","13.053","0.003","18.541","0.004","10.173","0.003","101.35","0.02","92.2","0.02","103.58","0.02","2337.1","1","296.2","","296.2","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H54 Cl O3 P2 Rh Si -","- C49 H46 Cl O3 P2 Rh Si -","- C98 H92 Cl2 O6 P4 Rh2 Si2 -","2","1","","Nishihara, Yasushi; Takemura, Miwa; Osakada, Kohtaro","Structure and Properties of Halogeno(hydrido)(triorganosilyl)rhodium(III) Complexes, RhX(H)(SiR1nR23-n)(PPh3)2(X = Cl, I; R1= OSiMe3, OEt, R2= Me). Influence of the Alkoxy Groups and Halo Ligand on Stability and Reactivity of the Complexes","Organometallics","2002","21","5","825","","10.1021/om010862o","","","0.7107","MoKα","","0.0579","0.058","","0.057","","0.057","","","1.631","","","1.63","","","","has coordinates","244975","2020-10-21","18:00:00","" "4089321","9.5492","0.0002","44.979","0.002","17.0348","0.0008","90","","92.488","0.003","90","","7309.8","0.5","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","[Sn(iPr)(O2CCF3){(Me3Si)2CSiMe2CH2CH2SiMe2C(SiMe3)2}]","","","- C25 H59 F3 O2 Si6 Sn -","- C25 H59 F3 O2 Si6 Sn -","- C200 H472 F24 O16 Si48 Sn8 -","8","2","","Asadi, Ashrafolmolouk; Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Meehan, Margaret M.; Smith, J. David","Reactions of a Highly Crowded Cyclic Stannylene with Iodoalkanes, Enones, and Dienes. Inhibition of Nucleophilic Substitution at Tin(IV) Centers","Organometallics","2002","21","12","2430","","10.1021/om020106y","","x-ray","0.71073","MoKα","","0.1175","0.0595","","","0.1151","0.1344","","","","","","1.012","","","","has coordinates,has disorder","247255","2020-10-21","18:00:00","" "4089322","12.42","0.0004","13.7856","0.0005","20.4785","0.0005","90","","90","","90","","3506.27","0.19","173","2","173","2","","","","","","","synthesis as described","5","P n a m","-P 2c 2n","62","[Sn{C3H3O(C2H5)}{C(SiMe3)2SiMe2CH2CH2SiMe2C(SiMe3)2}]","","","- C25 H60 O Si6 Sn -","- C25 H60 O Si6 Sn -","- C100 H240 O4 Si24 Sn4 -","4","0.5","","Asadi, Ashrafolmolouk; Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Meehan, Margaret M.; Smith, J. David","Reactions of a Highly Crowded Cyclic Stannylene with Iodoalkanes, Enones, and Dienes. Inhibition of Nucleophilic Substitution at Tin(IV) Centers","Organometallics","2002","21","12","2430","","10.1021/om020106y","","x-ray","0.71073","MoKα","","0.0591","0.0558","","","0.128","0.1296","","","","","","1.26","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27","" "4089323","8.7427","0.0004","20.7105","0.0011","10.4411","0.0006","90","","92.641","0.004","90","","1888.52","0.17","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 Cl N3 O4 Pd -","- C15 H26 Cl N3 O4 Pd -","- C60 H104 Cl4 N12 O16 Pd4 -","4","1","","Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; López, Gregorio; Pérez, José","Acetimine and 2-Methyl-2-amino-4-iminopentane Complexes of Palladium(II)","Organometallics","2002","21","23","4912","","10.1021/om020434y","","","0.71073","MoKα","","0.0454","0.0357","","","0.0953","0.1","","","","","","1.038","","","","has coordinates","243611","2020-10-21","18:00:00","" "4089324","17.343","0.001","10.453","0.001","17.164","0.001","90","","104.12","","90","","3017.6","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 F10 N2 Pd -","- C12 H6 F10 N2 Pd -","- C96 H48 F80 N16 Pd8 -","8","1","","Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; López, Gregorio; Pérez, José","Acetimine and 2-Methyl-2-amino-4-iminopentane Complexes of Palladium(II)","Organometallics","2002","21","23","4912","","10.1021/om020434y","","","0.71073","MoKα","","0.0244","0.0196","","","0.0483","0.0494","","","","","","1.046","","","","has coordinates","243611","2020-10-21","18:00:00","" "4089325","9.091","0.001","9.417","0.001","12.979","0.001","110.8","0.01","101.97","0.01","95.44","0.01","998.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 F10 N2 Pd -","- C18 H14 F10 N2 Pd -","- C36 H28 F20 N4 Pd2 -","2","1","","Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; López, Gregorio; Pérez, José","Acetimine and 2-Methyl-2-amino-4-iminopentane Complexes of Palladium(II)","Organometallics","2002","21","23","4912","","10.1021/om020434y","","","0.71073","MoKα","","0.0253","0.0228","","","0.0593","0.0625","","","","","","1.118","","","","has coordinates","243611","2020-10-21","18:00:00","" "4089326","9.662","0.001","16.736","0.001","12.513","0.001","90","","106.27","0.01","90","","1942.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F10 N2 Pd -","- C18 H14 F10 N2 Pd -","- C72 H56 F40 N8 Pd4 -","4","1","","Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; López, Gregorio; Pérez, José","Acetimine and 2-Methyl-2-amino-4-iminopentane Complexes of Palladium(II)","Organometallics","2002","21","23","4912","","10.1021/om020434y","","","0.71073","MoKα","","0.0507","0.0436","","","0.0882","0.0904","","","","","","1.122","","","","has coordinates","243611","2020-10-21","18:00:00","" "4089327","9.079","0.001","9.55","0.001","12.546","0.001","81.11","","73.44","0.01","66.15","0.01","952.68","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H26 Cl N3 O4 Pd -","- C15 H26 Cl N3 O4 Pd -","- C30 H52 Cl2 N6 O8 Pd2 -","2","1","","Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; López, Gregorio; Pérez, José","Acetimine and 2-Methyl-2-amino-4-iminopentane Complexes of Palladium(II)","Organometallics","2002","21","23","4912","","10.1021/om020434y","","","0.71073","MoKα","","0.0301","0.0259","","","0.0658","0.0677","","","","","","1.061","","","","has coordinates","243611","2020-10-21","18:00:00","" "4089717","14.4034","0.0005","18.5094","0.0011","15.9964","0.0007","90","","104.854","0.003","90","","4122.1","0.3","173","2","173","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","[(PhCOCOPh)Sn{(C(SiMe3)2SiMe2CH2)2}]","","","- C34 H62 O2 Si6 Sn -","- C34 H62 O2 Si6 Sn -","- C136 H248 O8 Si24 Sn4 -","4","0.5","","Asadi, Ashrafolmolouk; Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Meehan, Margaret M.; Smith, J. David","Reactions of a Highly Crowded Cyclic Stannylene with Iodoalkanes, Enones, and Dienes. Inhibition of Nucleophilic Substitution at Tin(IV) Centers","Organometallics","2002","21","12","2430","","10.1021/om020106y","","x-ray","0.71073","MoKα","","0.069","0.054","","","0.1346","0.1474","","","","","","1.037","","","","has coordinates","247258","2020-10-21","18:00:00","" "4089718","11.2943","0.0002","16.6702","0.0003","23.2637","0.0004","90","","90","","90","","4380.05","0.13","173","2","173","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","[Sn{(C(SiMe3)2SiMe2CH2)2}{O2C6H3(tBu)2}]","","","- C34 H72 O2 Si6 Sn -","- C34 H72 O2 Si6 Sn -","- C136 H288 O8 Si24 Sn4 -","4","1","","Asadi, Ashrafolmolouk; Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Meehan, Margaret M.; Smith, J. David","Reactions of a Highly Crowded Cyclic Stannylene with Iodoalkanes, Enones, and Dienes. Inhibition of Nucleophilic Substitution at Tin(IV) Centers","Organometallics","2002","21","12","2430","","10.1021/om020106y","","x-ray","0.7107","MoKα","","0.0394","0.0331","","","0.069","0.0721","","","","","","1.029","","","","has coordinates,has disorder","247258","2020-10-21","18:00:00","" "4089719","17.4461","0.0005","11.7903","0.0004","20.6079","0.0006","90","","110.406","0.002","90","","3972.9","0.2","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","sep4200","","","- C34 H60 O2 Si6 Sn -","- C34 H60 O2 Si6 Sn -","- C136 H240 O8 Si24 Sn4 -","4","1","","Asadi, Ashrafolmolouk; Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Meehan, Margaret M.; Smith, J. David","Reactions of a Highly Crowded Cyclic Stannylene with Iodoalkanes, Enones, and Dienes. Inhibition of Nucleophilic Substitution at Tin(IV) Centers","Organometallics","2002","21","12","2430","","10.1021/om020106y","","x-ray","0.71073","MoKα","","0.0638","0.0415","","","0.0931","0.1027","","","","","","1.019","","","","has coordinates","247258","2020-10-21","18:00:00","" "4089720","27.42","0.001","27.42","0.0009","9.259","0.0003","90","","90","","90","","6961.4","0.4","173","2","173","2","","","","","","","synthesis as described","6","P 42/n :2","-P 4bc","86","aug2300","","","- C22.5 H58 Cl I Si6 Sn -","- C22.5 H58 Cl I Si6 Sn -","- C180 H464 Cl8 I8 Si48 Sn8 -","8","1","","Asadi, Ashrafolmolouk; Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Meehan, Margaret M.; Smith, J. David","Reactions of a Highly Crowded Cyclic Stannylene with Iodoalkanes, Enones, and Dienes. Inhibition of Nucleophilic Substitution at Tin(IV) Centers","Organometallics","2002","21","12","2430","","10.1021/om020106y","","x-ray","0.71073","MoKα","","0.0897","0.0578","","","0.1452","0.1632","","","","","","1.028","","","","has coordinates","247258","2020-10-21","18:00:00","" "4089721","34.0509","0.0009","9.3173","0.0001","22.2269","0.0006","90","","90","","90","","7051.8","0.3","173","2","173","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","[Sn(Et)(O2CCF3){C(SiMe3)2SiMe2CH2CH2SiMe2C(SiMe3)2}]","","","- C24 H57 F3 O2 Si6 Sn -","- C24 H53.88 F3 O2 Si6 Sn -","- C192 H431.04 F24 O16 Si48 Sn8 -","8","2","","Asadi, Ashrafolmolouk; Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Meehan, Margaret M.; Smith, J. David","Reactions of a Highly Crowded Cyclic Stannylene with Iodoalkanes, Enones, and Dienes. Inhibition of Nucleophilic Substitution at Tin(IV) Centers","Organometallics","2002","21","12","2430","","10.1021/om020106y","","x-ray","0.71073","MoKα","","0.0523","0.0408","","","0.0878","0.0932","","","","","","1.017","","","","has coordinates,has disorder","247258","2020-10-21","18:00:00","" "4331454","7.6219","","7.6219","","3.9771","","90","","90","","90","","231.043","","","","","","","","","","","","","3","P 42/n :1","P 4n -1n","86","","Eu Ir4 B4","","- B4 Eu Ir4 -","- B4 Eu Ir4 -","- B8 Eu2 Ir8 -","2","0.25","","Hiebl, K.; Sienko, M.J.; Rogl, P.","Structural chemistry and magnetic properties of the compounds Eu Os3 B4 and Eu Ir4 B4 and the solid solutions (RE) Os4 B4 - (RE) Ir4 B4 (RE = Cr, Pr, Sm)","Inorganic Chemistry","1982","21","","1128","1133","10.1021/ic00133a049","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "4344216","31.444","","9.7","","13.935","","90","","110.99","","90","","3968.23","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","H2 Os3 Fe (C O)13","","- C13 H2 Fe O13 Os3 -","- C13 H2 Fe O13 Os3 -","- C104 H16 Fe8 O104 Os24 -","8","1","","Churchill, M.R.; Shore, S.G.; Hsu, W.L.; Bueno, C.; Plotkin, J.S.","Structural Studies on Polynuclear Osmium Carbonyl Hydrides. 22. Crystal Structure and 13C NMR Spectra of (mue-H)2 Os3 Fe (C O)13","Inorganic Chemistry","1982","21","","1958","1963","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4344218","3.7442","","6.831","","14.886","","90","","90","","90","","380.734","","","","","","","","","","","","","2","P m n 21","P 2ac -2","31","","Zr I2","","- I2 Zr -","- I2 Zr -","- I8 Zr4 -","4","1","","Corbett, J.D.; Guthrie, D.H.","A Second Infinite-Chain Form of Zirconium Diiodide (beta) and Its Coherent Intergrowth with alpha-Zirconium Diiodide","Inorganic Chemistry","1982","21","","1747","1751","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4344257","4.385","","4.385","","4.385","","90","","90","","90","","84.316","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Mn0.556 Fe0.437) O","","- Fe0.437 Mn0.556 O -","- Fe0.437 Mn0.556 O -","- Fe1.748 Mn2.224 O4 -","4","0.0208333","","Hope, D.A.O.; Long, G.J.; Cheetham, A.K.","A neutron diffraction, magnetic susceptibility, and Mossbauer-effect study of (Mnx Fe1-x)y O solid solutions","Inorganic Chemistry","1982","21","","2804","2809","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4344344","8.229","","8.336","","7.329","","112.28","","87.11","","110.18","","434.782","","","","","","","","","","","","","2","P -1","-P 1","2","","Re2 P5","","- P5 Re2 -","- P5 Re2 -","- P20 Re8 -","4","2","","Ruehl, R.; Jeitschko, W.","Preparation and Crystal Structure of Dirhenium Pentaphosphide, Re2 P5, a Diamagnetic Semiconducting Polyphosphide with Rhomboidal Re4 Clusters","Inorganic Chemistry","1982","21","","1886","1891","","","","","","","","","","","","","","","","","","","","","","has coordinates","167164","2020-10-21","18:00:00","" "4345980","15.984","0.009","20.991","0.012","26.596","0.016","90","","101.21","0.02","90","","8753","9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H58.51 N6 O26 P6 S2 -","- C20 H58.512 N6 O25.994 P6 S2 -","- C160 H468.096 N48 O207.952 P48 S16 -","8","1","","Saeed, Musabbir A.; Pramanik, Avijit; Hossain, Md. Alamgir","Phosphate binding with a thiophene-based azamacrocycle in water","Inorganic Chemistry Communications","2012","21","","32","34","10.1016/j.inoche.2012.04.003","","","0.71073","MoKα","","0.1807","0.1513","","","0.3848","0.4086","","","","","","1.347","","","","has coordinates,has disorder","210524","2020-10-21","18:00:00","" "4505256","5.0086","0.0003","5.0672","0.0003","26.4429","0.0015","84.845","0.004","88.899","0.004","64.261","0.003","601.93","0.06","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H45 N3 O3 -","- C23 H45 N3 O3 -","- C23 H45 N3 O3 -","1","1","","Menger, Fredric M.; Zhang, Hailing","Peptoads, a group of amphiphilic long-chain triamides.","Langmuir : the ACS journal of surfaces and colloids","2005","21","23","10428","10438","10.1021/la0516227","","","1.54178","CuKα","","0.0367","0.0353","","","0.0964","0.0975","","","","","","1.02","","","","has coordinates","301842","2025-08-21","00:37:15","" "4505257","4.8194","0.0009","4.8412","0.001","24.874","0.005","87.396","0.004","84.631","0.004","67.893","0.004","535.29","0.18","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H39 N3 O3 -","- C20 H39 N3 O3 -","- C20 H39 N3 O3 -","1","1","","Menger, Fredric M.; Zhang, Hailing","Peptoads, a group of amphiphilic long-chain triamides.","Langmuir : the ACS journal of surfaces and colloids","2005","21","23","10428","10438","10.1021/la0516227","","","0.71073","MoKα","","0.0953","0.0785","","","0.1762","0.1885","","","","","","1.009","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00","" "4505258","8.4672","0.0003","5.2325","0.0003","53.24","0.002","90","","92.685","0.003","90","","2356.19","0.18","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H43 N3 O3 -","- C22 H43 N3 O3 -","- C88 H172 N12 O12 -","4","1","","Menger, Fredric M.; Zhang, Hailing","Peptoads, a group of amphiphilic long-chain triamides.","Langmuir : the ACS journal of surfaces and colloids","2005","21","23","10428","10438","10.1021/la0516227","","","1.54178","CuKα","","0.0766","0.0605","","","0.1497","0.1615","","","","","","1.065","","","","has coordinates,has disorder","301842","2025-08-21","00:37:15","" "4514905","5.7293","0.0001","15.1954","0.0003","18.1245","0.0005","90","","96.688","0.002","90","","1567.16","0.06","294.4","0.2","294.4","0.2","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C21 H14 O2 S -","- C21 H14 O2 S -","- C84 H56 O8 S4 -","4","1","","Singh, Dileep Kumar; Jang, Kyungkuk; Kim, Jinhwang; Lee, Jeeyeon; Kim, Ikyon","Intramolecular Electrophilic Cyclization Approach to 6-Substituted Naphtho[2,1- b]benzofurans: Novel Dual-State Emissive Fluorophores with Blue Emission.","ACS combinatorial science","2019","21","5","408","416","10.1021/acscombsci.9b00006","","x-ray","1.54184","CuKα","","0.0336","0.0322","","","0.0923","0.0949","","","","","","1.059","","","","has coordinates","301843","2025-08-21","01:58:44","" "4514906","29.608","0.003","7.135","0.0009","10.0478","0.0011","90","","90","0.004","90","","2122.6","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H9 F N2 -","- C13 H9 F N2 -","- C104 H72 F8 N16 -","8","1","","Mishra, Nidhi; Singh, Anoop S.; Agrahari, Anand K.; Singh, Sumit K.; Singh, Mala; Tiwari, Vinod K.","Synthesis of Benz-Fused Azoles via C-Heteroatom Coupling Reactions Catalyzed by Cu(I) in the Presence of Glycosyltriazole Ligands.","ACS combinatorial science","2019","21","5","389","399","10.1021/acscombsci.9b00004","","","0.71073","MoKα","","0.1071","0.054","","","0.1306","0.1762","","","","","","1.011","","","","has coordinates","301843","2025-08-21","01:58:44","" "4514907","5.4865","0.0002","19.6475","0.0005","20.5452","0.0006","90","","90","","90","","2214.69","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N3 O5 -","- C24 H27 N3 O5 -","- C96 H108 N12 O20 -","4","1","","Mishra, Nidhi; Singh, Anoop S.; Agrahari, Anand K.; Singh, Sumit K.; Singh, Mala; Tiwari, Vinod K.","Synthesis of Benz-Fused Azoles via C-Heteroatom Coupling Reactions Catalyzed by Cu(I) in the Presence of Glycosyltriazole Ligands.","ACS combinatorial science","2019","21","5","389","399","10.1021/acscombsci.9b00004","","x-ray","0.71073","MoKα","","0.0389","0.0334","","","0.0763","0.0802","","","","","","0.979","","","","has coordinates","301843","2025-08-21","01:58:44","" "4514908","19.735","0.009","5.187","0.003","25.427","0.015","90","","110.875","0.013","90","","2432","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O2 S -","- C13 H9 N3 O2 S -","- C104 H72 N24 O16 S8 -","8","2","","Mishra, Nidhi; Singh, Anoop S.; Agrahari, Anand K.; Singh, Sumit K.; Singh, Mala; Tiwari, Vinod K.","Synthesis of Benz-Fused Azoles via C-Heteroatom Coupling Reactions Catalyzed by Cu(I) in the Presence of Glycosyltriazole Ligands.","ACS combinatorial science","2019","21","5","389","399","10.1021/acscombsci.9b00004","","","0.71073","MoKα","","0.0997","0.0564","","","0.144","0.1733","","","","","","0.985","","","","has coordinates","301843","2025-08-21","01:58:44","" "4514909","28.396","0.003","4.995","0.0005","20.877","0.002","90","","106.921","0.003","90","","2833","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C128 H112 N16 O8 S8 -","8","1","","Barve, Indrajeet J.; Chang, Wong-Jin; Lin, Yen-Tzu; Thikekar, Tushar Ulhas; Sun, Chung-Ming","Base Controlled Three-Component Regioselective Synthesis of 2-Imino Thiazolines and 2-Thioxoimidazolin-4-ones.","ACS combinatorial science","2019","21","4","269","275","10.1021/acscombsci.8b00152","","","0.71073","MoKα","","0.1083","0.0834","","","0.2062","0.2302","","","","","","1.045","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44","" "4514910","10.0749","0.0003","10.0749","0.0003","24.547","0.001","90","","90","","90","","2491.61","0.15","200","2","200","2","","","","","","","","5","P 41","P 4w","76","","","","- C31 H26 N2 O2 S -","- C31 H26 N2 O2 S -","- C124 H104 N8 O8 S4 -","4","1","","Barve, Indrajeet J.; Chang, Wong-Jin; Lin, Yen-Tzu; Thikekar, Tushar Ulhas; Sun, Chung-Ming","Base Controlled Three-Component Regioselective Synthesis of 2-Imino Thiazolines and 2-Thioxoimidazolin-4-ones.","ACS combinatorial science","2019","21","4","269","275","10.1021/acscombsci.8b00152","","","0.71073","MoKα","","0.0714","0.0418","","","0.0765","0.0869","","","","","","0.979","","","","has coordinates","301843","2025-08-21","01:58:44","" "4514911","12.6875","0.0016","11.3244","0.0014","26.09","0.003","90","","90","","90","","3748.6","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O2 S -","- C21 H22 N2 O2 S -","- C168 H176 N16 O16 S8 -","8","1","","Barve, Indrajeet J.; Chang, Wong-Jin; Lin, Yen-Tzu; Thikekar, Tushar Ulhas; Sun, Chung-Ming","Base Controlled Three-Component Regioselective Synthesis of 2-Imino Thiazolines and 2-Thioxoimidazolin-4-ones.","ACS combinatorial science","2019","21","4","269","275","10.1021/acscombsci.8b00152","","","0.71073","MoKα","","0.0578","0.0389","","","0.082","0.0904","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:44","" "4514912","5.4995","0.0011","18.143","0.004","22.295","0.005","90","","90","","90","","2224.5","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C100 H108 N12 O24 -","4","1","","Liu, Shih-I; Haung, Jia-Yun; Barve, Indrajeet J.; Huang, Sheng-Cih; Sun, Chung-Ming","Enantioselective Synthesis of Hydantoin and Diketopiperazine-Fused Tetrahydroisoquinolines via Pictet-Spengler Reaction.","ACS combinatorial science","2019","21","4","336","344","10.1021/acscombsci.9b00005","","","1.54178","CuKα","","0.0629","0.056","","","0.1442","0.1595","","","","","","1.082","","","","has coordinates","301843","2025-08-21","01:58:44","" "4514913","14.811","0.0013","16.4734","0.0014","19.615","0.0016","100.872","0.003","90.005","0.004","111.647","0.004","4355.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N2 O4 S -","- C24 H25.25 N2 O4 S -","- C192 H202 N16 O32 S8 -","8","4","","Liu, Shih-I; Haung, Jia-Yun; Barve, Indrajeet J.; Huang, Sheng-Cih; Sun, Chung-Ming","Enantioselective Synthesis of Hydantoin and Diketopiperazine-Fused Tetrahydroisoquinolines via Pictet-Spengler Reaction.","ACS combinatorial science","2019","21","4","336","344","10.1021/acscombsci.9b00005","","","1.54178","CuKα","","0.0683","0.0637","","","0.1616","0.1661","","","","","","1.021","","","","has coordinates,has disorder","220074","2020-10-21","18:00:00","" "4514914","8.2378","0.0004","8.6386","0.0004","12.0226","0.0006","90","","99.287","0.003","90","","844.35","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O6 -","- C19 H20 N2 O6 -","- C38 H40 N4 O12 -","2","1","","Liu, Shih-I; Haung, Jia-Yun; Barve, Indrajeet J.; Huang, Sheng-Cih; Sun, Chung-Ming","Enantioselective Synthesis of Hydantoin and Diketopiperazine-Fused Tetrahydroisoquinolines via Pictet-Spengler Reaction.","ACS combinatorial science","2019","21","4","336","344","10.1021/acscombsci.9b00005","","","1.54178","CuKα","","0.0282","0.0276","","","0.0731","0.0738","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:58:44","" "4514915","8.2567","0.0002","10.4077","0.0003","20.4581","0.0005","90","","90","","90","","1758.03","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O6 -","- C19 H20 N2 O6 -","- C76 H80 N8 O24 -","4","1","","Liu, Shih-I; Haung, Jia-Yun; Barve, Indrajeet J.; Huang, Sheng-Cih; Sun, Chung-Ming","Enantioselective Synthesis of Hydantoin and Diketopiperazine-Fused Tetrahydroisoquinolines via Pictet-Spengler Reaction.","ACS combinatorial science","2019","21","4","336","344","10.1021/acscombsci.9b00005","","","1.54178","CuKα","","0.0272","0.027","","","0.0701","0.0702","","","","","","1.075","","","","has coordinates","301843","2025-08-21","01:58:44","" "4514916","7.6852","0.0002","10.0944","0.0002","15.8894","0.0003","102.737","0.002","102.286","0.002","100.664","0.004","1139.46","0.05","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 O3 Se -","- C26 H24 N2 O3 Se -","- C52 H48 N4 O6 Se2 -","2","1","","Vyhivskyi, Oleksandr; Dlin, Egor A.; Finko, Alexander V.; Stepanova, Saiyyna P.; Ivanenkov, Yan A.; Skvortsov, Dmitry A.; Mironov, Andrei V.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K.","Copper-Promoted C-Se Cross-Coupling of 2-Selenohydantoins with Arylboronic Acids in an Open Flask.","ACS combinatorial science","2019","21","6","456","464","10.1021/acscombsci.9b00021","","","1.54178","CuKα","","0.041","0.041","","","0.0588","0.0588","","","","1.11","1.11","1.11","","","","has coordinates","301843","2025-08-21","01:58:44","" "4514917","5.7091","0.0002","11.1223","0.0004","12.4991","0.0005","105.121","0.003","101.686","0.003","98.661","0.003","732.73","0.05","295","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N2 O2 Se -","- C15 H16 N2 O2 Se -","- C30 H32 N4 O4 Se2 -","2","1","","Vyhivskyi, Oleksandr; Dlin, Egor A.; Finko, Alexander V.; Stepanova, Saiyyna P.; Ivanenkov, Yan A.; Skvortsov, Dmitry A.; Mironov, Andrei V.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K.","Copper-Promoted C-Se Cross-Coupling of 2-Selenohydantoins with Arylboronic Acids in an Open Flask.","ACS combinatorial science","2019","21","6","456","464","10.1021/acscombsci.9b00021","","","1.54178","CuKα","","0.0418","0.0347","","","0.049","0.051","","","","1.13","1.13","1.05","","","","has coordinates","301843","2025-08-21","01:58:44","" "4514918","14.3159","0.0001","10.6004","0.0001","12.1334","0.0001","90","","98.394","0.001","90","","1821.57","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N5 O -","- C20 H23 N5 O -","- C80 H92 N20 O4 -","4","1","","Junaid, Ahmad; Lim, Felicia Phei Lin; Tiekink, Edward R. T.; Dolzhenko, Anton V.","New One-Pot Synthesis of 1,3,5-Triazines: Three-Component Condensation, Dimroth Rearrangement, and Dehydrogenative Aromatization.","ACS combinatorial science","2019","21","7","548","555","10.1021/acscombsci.9b00079","","","1.54178","CuKα","","0.0343","0.0327","","","0.0851","0.0868","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:44","" "4514919","8.9672","0.0003","13.9684","0.0005","14.9369","0.0005","90.013","0.002","90.036","0.002","96.329","0.002","1859.55","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 F3 N4 -","- C21 H17 F3 N4 -","- C84 H68 F12 N16 -","4","2","","He, Qiu-Xing; Liang, Yao-Feng; Xu, Chang; Yao, Xiao-Kun; Cao, Hua; Yao, Hua-Gang","Highly Regioselective, Acid-Catalyzed, Three-Component Cascade Reaction for the Synthesis of 2-aminopyridine-Decorated Imidazo[1,2- a]pyridine.","ACS combinatorial science","2019","21","3","149","153","10.1021/acscombsci.8b00149","","","0.71073","MoKα","","0.0909","0.0766","","","0.2269","0.2454","","","","","","1.049","","","","has coordinates","220080","2020-10-21","18:00:00","" "4515842","14.7787","0.0006","5.9377","0.0002","16.8849","0.0007","90","","107.428","0.002","90","","1413.66","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C66 H78 N2 O8 -","2","1","","Nongthombam, Geetmani Singh; Borah, Kasmika; Muinao, Thingreila; Silla, Yumnam; Pal, Mintu; Deka Boruah, Hari Prasanna; Boruah, Romesh Chandra","Synthesis of D-Ring Annulated Pyridosteroids from β-Formyl Enamides and Their Biological Evaluations.","ACS combinatorial science","2019","21","1","11","27","10.1021/acscombsci.8b00140","","","0.71073","MoKα","","0.08","0.0552","","","0.1371","0.1547","","","","","","1.0335","","","","has coordinates","301843","2025-08-21","01:58:45","" "5000035","4.91239","0.00004","4.91239","0.00004","5.40385","0.00007","90","","90","","120","","112.9","","","","","","","","","","","","","2","P 32 2 1","P 32 2""","154","","Silicon oxide","Quartz","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Will, G; Bellotto, M; Parrish, W; Hart, M","Crystal structures of quartz and magnesium germanate by profile analysis of synchrotron-radiation high-resolution powder data.","Journal of Applied Crystallography","1988","21","","182","191","10.1107/S0021889887011567","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00","" "5000083","9.56","0.02","7.9","0.03","11.78","0.02","90","","111.37","0.03","90","","828.5","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H30 O2 -","- C19 H30 O2 -","- C38 H60 O4 -","2","1","","High, D. F.; Kraut, J.","The crystal structure of androsterone","Acta Crystallographica","1966","21","1","88","96","10.1107/S0365110X66002378","","","","","","","","","","","","","","","","","","","","","has coordinates","301844","2025-08-21","10:11:30","" "5000147","7.27","0.01","11.06","0.02","12.27","0.02","90","","98.8","0.3","90","","974.97","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 N5 O8 -","- C6 H3 N5 O8 -","- C24 H12 N20 O32 -","4","1","","Dickinson, C.; Stewart, J. M.; Holden, J. R.","A direct determination of the crystal structure of 2,3,4,6-tetranitroaniline","Acta Crystallographica","1966","21","5","663","670","10.1107/S0365110X66003669","","","","","","","","","","","","","","","","","","","","","has coordinates","301844","2025-08-21","10:11:30","" "5000284","5.68","","12.78","","6.23","","90","","107.43","","90","","431.47","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H11 Cl N2 O6 -","- C5 H10 Cl N2 O6 -","- C10 H20 Cl2 N4 O12 -","2","1","","Fan, Hai-Fu; Lin, Cheng-Chung","The Crystal Structure of Cucurbitine Perchlorate and the Absolute Configuration of the Cucurbitine Molecule","Acta Physica Sinica","1965","21","2","253","","","","","","","","","","","","","","","","","","","","","","","has coordinates","187367","2020-10-21","18:00:00","" "6000103","10.18","","15.899","","23.227","","90","","90","","90","","3759.33","","","","","","","","","","","","","6","P 21 21 21","","","","","","- C10 H56 N10 O29 P6 Ti3 -","","","","","","Guo, Y. H.; Shi, Z.; Qu, X. J.; Pang, W. Q.","Studies on solvothermal synthesis and structure of a new titanium phosphate large single crystal","Gaodeng Xuexiao Huaxue Xuebao","2000","21","","1010","1012","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000436","10.0241","","10.613","","9.8333","","90","","92.292","","90","","1045.29","","","","","","","","","","","","","5","P 1 21/c 1","","","","","","- Al8 Ca4 H37.6 O50.9 Si8 -","","","","","","Abert, B. R.; Cheetham, A. K.; Adams, C. J.","Investigations on p zeolites: synthesis and structure of the gismondine analogue, highly crystalline low-silica CaP","Microporous and Mesoporous Materials","1998","21","","127","132","10.1016/S1387-1811(97)00058-9","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "7159003","8.3747","0.001","10.831","0.0012","18.463","0.002","90","","93.213","0.002","90","","1672.1","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O4 S -","- C17 H18 N2 O4 S -","- C68 H72 N8 O16 S4 -","4","1","","Xie, Lei; Sun, Lei; Wu, Ping; Wang, Zhaoxue; Zhao, Chenyi; Wu, Lingang; Li, Xiaojing; Gao, Zhenzhen; Liu, Wanxing; Nie, Shao-Zhen","Organocatalytic cascade nucleophilic/aza-Michael addition reactions: metal-free catalytic strategy for the synthesis of hydantoins.","Organic & biomolecular chemistry","2023","21","11","2295","2300","10.1039/d2ob01825j","","","0.71073","MoKα","","0.0492","0.0387","","","0.101","0.1089","","","","","","1.051","","","","has coordinates","283471","2023-05-05","03:22:41","" "7159004","7.99848","0.00014","10.47849","0.00019","18.8198","0.0003","90","","90","","90","","1577.32","0.05","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 N O -","- C9 H9 N O -","- C72 H72 N8 O8 -","8","2","","Yoshimura, Yuki; Tanaka, Yudai; Kobayashi, Ryota; Niikura, Kohei; Kawasaki, Tsuneomi","Asymmetric Strecker reaction at the solid/solid interface.","Organic & biomolecular chemistry","2023","21","3","520","524","10.1039/d2ob01802k","","","1.54187","CuKα","","0.0384","0.0371","","","0.1055","0.1064","","","","","","1.071","","","","has coordinates","283490","2023-05-05","03:28:56","" "7159005","17.4716","0.0006","49.5734","0.0018","5.8374","0.0002","90","","90","","90","","5055.9","0.3","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C240 H272 N16 O32 -","16","1","","Yoshimura, Yuki; Tanaka, Yudai; Kobayashi, Ryota; Niikura, Kohei; Kawasaki, Tsuneomi","Asymmetric Strecker reaction at the solid/solid interface.","Organic & biomolecular chemistry","2023","21","3","520","524","10.1039/d2ob01802k","","","1.54187","CuKα","","0.0828","0.0702","","","0.1778","0.1891","","","","","","1.166","","","","has coordinates","283490","2023-05-05","03:28:57","" "7159006","7.99688","0.00014","10.47544","0.00019","18.8109","0.0003","90","","90","","90","","1575.8","0.05","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","p-tolualdehyde cyanohydrin","","- C9 H9 N O -","- C9 H9 N O -","- C72 H72 N8 O8 -","8","2","","Yoshimura, Yuki; Tanaka, Yudai; Kobayashi, Ryota; Niikura, Kohei; Kawasaki, Tsuneomi","Asymmetric Strecker reaction at the solid/solid interface.","Organic & biomolecular chemistry","2023","21","3","520","524","10.1039/d2ob01802k","","","1.54187","CuKα","","0.0412","0.0408","","","0.1163","0.1166","","","","","","1.11","","","","has coordinates","283490","2023-05-05","03:29:00","" "7159007","9.0019","0.0004","7.9707","0.0003","11.5272","0.0005","90","","106.536","0.004","90","","792.89","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O S -","- C8 H11 N O S -","- C32 H44 N4 O4 S4 -","4","1","","Yamamoto, Takuhei; Fukuta, Koki; Kariya, Yuki; Matsuura, Taiki; Hagiwara, Hiroaki; Uno, Bunji; Esaka, Yukihiro","Synthetic and computational investigation of neighboring group participation by a nucleophilic disulfide bond.","Organic & biomolecular chemistry","2022","21","1","65","68","10.1039/d2ob01574a","","x-ray","0.71073","MoKα","","0.042","0.0409","","","0.0964","0.0971","","","","","","1.032","","","","has coordinates,has disorder","281547","2023-03-04","18:37:33","" "7159010","9.5195","0.0002","9.5196","0.0002","11.9808","0.0003","104.374","0.007","96.543","0.007","109.84","0.008","965.62","0.09","133","","133","","","","","","","","","4","P 1","P 1","1","","","","- C35 H60 N4 O7 -","- C35 H60 N4 O7 -","- C35 H60 N4 O7 -","1","1","","Nagata, Makoto; Watanabe, Mizuki; Doi, Ryohei; Uemura, Mai; Ochiai, Nanase; Ichinose, Wataru; Fujiwara, Koichi; Sato, Yoshihiro; Kameda, Tomoshi; Takeuchi, Koh; Shuto, Satoshi","Helix-forming aliphatic homo-δ-peptide foldamers based on the conformational restriction effects of cyclopropane.","Organic & biomolecular chemistry","2023","21","5","970","980","10.1039/d2ob01715f","","","1.54187","CuKα","","0.0404","0.0375","","","0.09","0.0918","","","","","","1.026","","","","has coordinates","281563","2023-03-04","18:40:02","" "7159011","9.77455","0.00019","17.1488","0.0003","24.9042","0.0005","90","","90","","90","","4174.49","0.14","133","","133","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H66 N4 O8 -","- C38 H64 N4 O8 -","- C152 H256 N16 O32 -","4","1","","Nagata, Makoto; Watanabe, Mizuki; Doi, Ryohei; Uemura, Mai; Ochiai, Nanase; Ichinose, Wataru; Fujiwara, Koichi; Sato, Yoshihiro; Kameda, Tomoshi; Takeuchi, Koh; Shuto, Satoshi","Helix-forming aliphatic homo-δ-peptide foldamers based on the conformational restriction effects of cyclopropane.","Organic & biomolecular chemistry","2023","21","5","970","980","10.1039/d2ob01715f","","","1.54187","CuKα","","0.0604","0.0481","","","0.1172","0.1239","","","","","","1.051","","","","has coordinates","281563","2023-03-04","18:40:02","" "7159012","9.84115","0.00018","34.7841","0.0006","10.1782","0.00018","90","","117.487","0.008","90","","3090.8","0.2","133","","133.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H91 Cl3 N6 O9 -","- C55 H91 Cl3 N6 O9 -","- C110 H182 Cl6 N12 O18 -","2","1","","Nagata, Makoto; Watanabe, Mizuki; Doi, Ryohei; Uemura, Mai; Ochiai, Nanase; Ichinose, Wataru; Fujiwara, Koichi; Sato, Yoshihiro; Kameda, Tomoshi; Takeuchi, Koh; Shuto, Satoshi","Helix-forming aliphatic homo-δ-peptide foldamers based on the conformational restriction effects of cyclopropane.","Organic & biomolecular chemistry","2023","21","5","970","980","10.1039/d2ob01715f","","","1.54187","CuKα","","0.0941","0.0677","","","0.1326","0.1437","","","","","","1.082","","","","has coordinates","281563","2023-03-04","18:40:02","" "7159015","8.0253","0.0004","10.2408","0.0005","20.0504","0.001","90","","90","","90","","1647.85","0.14","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of Cephalotaxus sinensis.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0327","0.0326","","","0.0885","0.0886","","","","","","1.052","","","","has coordinates","281548","2023-03-04","18:37:46","" "7159016","7.5187","0.0005","9.2274","0.0006","23.3001","0.0016","90","","90","","90","","1616.52","0.19","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of Cephalotaxus sinensis.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0299","0.0298","","","0.0836","0.0839","","","","","","1.092","","","","has coordinates","281548","2023-03-04","18:37:46","" "7159017","8.4578","0.0008","9.519","0.0009","19.2209","0.0018","90","","90","","90","","1547.5","0.3","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of Cephalotaxus sinensis.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34138","GaKα","","0.0317","0.0316","","","0.0817","0.0818","","","","","","1.074","","","","has coordinates","281548","2023-03-04","18:37:46","" "7159018","8.31","0.0017","10.917","0.002","17.12","0.004","90","","90","","90","","1553.1","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of Cephalotaxus sinensis.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0353","0.0352","","","0.0947","0.0948","","","","","","1.079","","","","has coordinates","281548","2023-03-04","18:37:46","" "7159019","6.6976","0.0004","10.7016","0.0006","11.0783","0.0006","90","","94.076","0.001","90","","792.03","0.08","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of Cephalotaxus sinensis.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0311","0.031","","","0.0923","0.0925","","","","","","1.064","","","","has coordinates","281548","2023-03-04","18:37:46","" "7159020","6.6669","0.0006","21.971","0.002","11.9519","0.0012","90","","103.559","0.004","90","","1701.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of Cephalotaxus sinensis.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0542","0.0431","","","0.1152","0.1217","","","","","","1.04","","","","has coordinates","281548","2023-03-04","18:37:46","" "7159021","9.4013","0.0005","26.2244","0.0016","12.2587","0.0007","90","","90.836","0.002","90","","3022","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H39 N O11 -","- C27 H39 N O11 -","- C108 H156 N4 O44 -","4","2","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of Cephalotaxus sinensis.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0549","0.049","","","0.1472","0.1512","","","","","","1.098","","","","has coordinates,has disorder","281548","2023-03-04","18:37:46","" "7159022","8.1252","0.0009","6.7892","0.0008","20.442","0.002","90","","97.88","0.005","90","","1117","0.2","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","SCTK02","","- C15 H8 O5 -","- C15 H8 O5 -","- C60 H32 O20 -","4","1","","Achari, Anushree; Chatterjee, Sourav; Dey, Sudip; Kundu, Tapas K.; Jaisankar, Parasuraman","Catecholase-catalyzed synthesis of wedelolactone, a natural coumestan and its analogs.","Organic & biomolecular chemistry","2022","21","1","89","92","10.1039/d2ob02081e","","","0.71073","MoKα","","0.0466","0.0417","","","0.1127","0.1225","","","","","","1.0913","","","","has coordinates","281552","2023-03-04","18:38:12","" "7159023","11.2594","0.0006","17.7861","0.0011","17.1349","0.001","90","","92.839","0.002","90","","3427.2","0.3","297","2","297","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H35 Br F N3 O4 S -","- C38 H35 Br F N3 O4 S -","- C152 H140 Br4 F4 N12 O16 S4 -","4","2","","Prasad, Madavi S.; Sivaprakash, Murugesan","Asymmetric synthesis of the perhydroepoxyethanoindole core via sequential [4 + 2]-addition/reduction/fluoroannulation reactions.","Organic & biomolecular chemistry","2023","21","2","339","344","10.1039/d2ob02058k","","","0.71073","MoKα","","0.0718","0.0463","","","0.0849","0.0942","","","","","","1.007","","","","has coordinates","281577","2023-03-04","18:41:35","" "7159024","17.3131","0.0009","8.5318","0.0004","11.6113","0.0004","90","","94.377","0.004","90","","1710.13","0.13","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl N O2 -","- C18 H22 Cl N O2 -","- C72 H88 Cl4 N4 O8 -","4","1","","Gong, Xin; Yu, Na; Gu, Linghui; Li, Zheyu; Ma, Wenbo; Zhao, Fei","Redox-neutral rhodium(III)-catalyzed divergent synthesis of tetrasubstituted 1,3-enynes and alkynylated benzofurans.","Organic & biomolecular chemistry","2022","21","1","147","152","10.1039/d2ob01800d","","x-ray","1.54184","CuKα","","0.0996","0.0703","","","0.177","0.1931","","","","","","1.057","","","","has coordinates","281550","2023-03-04","18:37:58","" "7159025","5.7573","0.0003","8.3305","0.0006","30.537","0.002","90","","90","","90","","1464.59","0.16","293.1","1","293.1","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-phenylnaphtho[2,1-b]thiophen-1-amine","","- C18 H13 N S -","- C18 H13 N S -","- C72 H52 N4 S4 -","4","1","","Nguyen, Hoang Yen; Tran, Thi Minh Chau; Nguyen, Van Ha; Retailleau, Pascal; Mac, Dinh Hung; Nguyen, Thanh Binh","Reaction of 1-acetonaphthones with anilines and elemental sulfur: rapid construction of 1-anilinonaphtho[2,1-b]thiophenes.","Organic & biomolecular chemistry","2023","21","3","503","507","10.1039/d2ob01898e","","x-ray","0.71073","MoKα","","0.0688","0.0463","","","0.1207","0.1335","","","","","","1.027","","","","has coordinates","283494","2023-05-05","03:30:05","" "7159026","10.0208","0.0005","9.4096","0.0005","12.163","0.0007","90","","93.034","0.002","90","","1145.26","0.11","150","2","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H29 B F N O3 -","- C23 H29 B F N O3 -","- C46 H58 B2 F2 N2 O6 -","2","1","","Li, Meng; Peng, Guang-Rui; Yang, Xuan; Ma, Zhen-Ning; Xie, Jian-Bo","Enantio- and diastereoselective boron conjugate addition to α-alkyl α,β-unsaturated esters.","Organic & biomolecular chemistry","2022","21","1","53","58","10.1039/d2ob01928k","","","1.34139","GaKα","","0.0609","0.0577","","","0.1624","0.1659","","","","","","1.039","","","","has coordinates,has disorder","281549","2023-03-04","18:37:52","" "7159027","5.0257","0.0015","17.525","0.005","16.304","0.005","90","","92.944","0.01","90","","1434.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 F2 N O3 -","- C16 H13 F2 N O3 -","- C64 H52 F8 N4 O12 -","4","1","","Li, Ningbo; Wang, Yuxin; Gu, Shuo; Hu, Chuqian; Yang, Qian; Jin, Zhaohui; Ouyang, Wen-Tao; Qiao, Jie; He, Wei-Min","Visible-light-initiated external photocatalyst-free synthesis of α,α-difluoro-β-ketoamides from 4-aminocoumarins.","Organic & biomolecular chemistry","2023","21","2","370","374","10.1039/d2ob01914k","","","0.71073","MoKα","","0.1844","0.063","","","0.1172","0.152","","","","","","1.007","","","","has coordinates","281578","2023-03-04","18:41:40","" "7159028","24.7343","0.0013","24.7343","0.0013","13.8021","0.0011","90","","90","","90","","8443.9","0.9","150","2","150","","","","","","","","","5","P 42/m","-P 4c","84","","","","- C136 H218 N8 O81 S8 -","- C136 H218 N8 O81 S8 -","- C272 H436 N16 O162 S16 -","2","0.25","","Zhou, Jia-Liang; Li, Yan-Hong; Zhang, Ying-Ming; Chen, Ling; Liu, Yu","Enhanced molecular binding affinity toward aromatic dications by anthracene-derived crown ethers in water.","Organic & biomolecular chemistry","2022","21","1","107","114","10.1039/d2ob02010f","","","0.71073","MoKα","","0.2687","0.1676","","","0.4756","0.5819","","","","","","1.012","","","","has coordinates,has disorder","281551","2023-03-04","18:38:06","" "7159029","5.759","0.002","16.083","0.006","10.639","0.004","90","","97.483","0.004","90","","977","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H16 F3 N O0 Se -","- C23 H16 F3 N Se -","- C46 H32 F6 N2 Se2 -","2","1","","Wei, Guangming; Zhang, Jiajun; Wang, Haoyuan; Chen, Zhengkai; Wu, Xiao-Feng","Radical selenylative cyclization of trifluoromethyl propargyl imines for the synthesis of trifluoromethyl- and seleno-azaspiro[4,5]-tetraenones and quinolines.","Organic & biomolecular chemistry","2023","21","2","284","288","10.1039/d2ob02033e","","","0.71073","MoKα","","0.0612","0.0456","","","0.1106","0.129","","","","","","0.978","","","","has coordinates","281576","2023-03-04","18:41:28","" "7159030","9.6357","0.0006","12.2218","0.0008","14.9472","0.001","90","","90","","90","","1760.3","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C96 H68 N4 O8 -","4","1","","Ma, Tao; He, Yonghui; Qiao, Xiu-Xiu; Zou, Chang-Peng; Wu, Xi-Xi; Li, Ganpeng; Zhao, Xiao-Jing","Chiral phosphoric acid-catalyzed enantioselective aza-Friedel-Crafts reaction of naphthols and electron-rich phenols with 2-aryl-3H-indol-3-ones.","Organic & biomolecular chemistry","2023","21","3","489","493","10.1039/d2ob02179j","","","1.54178","CuKα","","0.0335","0.0317","","","0.0836","0.0852","","","","","","1.067","","","","has coordinates","283491","2023-05-05","03:29:14","" "7159031","6.69","0.003","9.57","0.004","21.704","0.009","90","","95.203","0.011","90","","1383.8","1","173","","173","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C31 H34 N2 O4 -","- C31 H34 N2 O4 -","- C62 H68 N4 O8 -","2","0.25","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","1.54184","CuKα","","0.1361","0.1316","","","0.3936","0.4012","","","","","","1.978","","","","has coordinates,has disorder","281574","2023-03-04","18:41:16","" "7159032","5.9143","0.0013","10.376","0.002","7.9856","0.0018","90","","105.79","0.006","90","","471.56","0.17","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H16 N O2 -","- C9 H16 N O2 -","- C18 H32 N2 O4 -","2","1","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","0.71073","MoKα","","0.0468","0.0382","","","0.081","0.0857","","","","","","1.134","","","","has coordinates","281574","2023-03-04","18:41:17","" "7159033","22.51","0.009","9.475","0.003","6.564","0.003","90","","94.085","0.006","90","","1396.4","1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N2 O2 -","- C32 H34 N2 O2 -","- C64 H68 N4 O4 -","2","0.5","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","1.54184","CuKα","","0.1288","0.0967","","","0.2473","0.2806","","","","","","0.948","","","","has coordinates","281574","2023-03-04","18:41:17","" "7159034","7.9818","0.0009","7.9818","0.0009","15.057","0.002","90","","90","","90","","959.3","0.2","173","","173","","","","","","","","","4","P 43","P 4cw","78","","","","- C9 H14 N O2 -","- C9 H14 N O2 -","- C36 H56 N4 O8 -","4","1","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","1.54184","CuKα","","0.0495","0.0491","","","0.1073","0.1078","","","","","","1.142","","","","has coordinates","281574","2023-03-04","18:41:17","" "7159035","5.8003","0.0011","5.8739","0.0012","14.924","0.004","89.862","0.019","86.02","0.019","69.143","0.014","473.87","0.19","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","1","0.5","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","0.71073","MoKα","","0.1057","0.076","","","0.2021","0.2187","","","","","","0.958","","","","has coordinates","281574","2023-03-04","18:41:17","" "7159036","7.8822","0.0019","7.8822","0.0019","16.118","0.004","90","","90","","90","","1001.4","0.4","173","","173","","","","","","","","","4","P 43","P 4cw","78","","","","- C9 H14 N O3 -","- C9 H14 N O3 -","- C36 H56 N4 O12 -","4","1","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","0.71073","MoKα","","0.0693","0.0393","","","0.0638","0.0705","","","","","","0.949","","","","has coordinates","281574","2023-03-04","18:41:17","" "7159037","7.7049","0.0009","8.1609","0.0017","10.0105","0.0016","102.84","0.03","94.37","0.02","117.329","0.01","533.5","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H17.56 N2 O2.44 -","- C9 H17.563 N2 O2.437 -","- C18 H35.126 N4 O4.874 -","2","1","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","0.71073","MoKα","","0.0731","0.0578","","","0.142","0.1494","","","","","","1.125","","","","has coordinates,has disorder","281574","2023-03-04","18:41:17","" "7159038","9.4876","0.0009","10.2177","0.0011","12.7098","0.0014","90","","90","","90","","1232.1","0.2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Br2 N O -","- C10 H14 Br2 N O -","- C40 H56 Br8 N4 O4 -","4","1","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","0.71073","MoKα","","0.0222","0.0188","","","0.0421","0.0426","","","","","","1.001","","","","has coordinates","281574","2023-03-04","18:41:17","" "7159039","8.1283","0.0004","10.6899","0.0006","15.0823","0.0007","90","","90","","90","","1310.51","0.12","250","2","250","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 F2 N O3 S -","- C13 H11 F2 N O3 S -","- C52 H44 F8 N4 O12 S4 -","4","1","","Sanz-Marco, Amparo; Esperilla, Daniel; Montesinos-Magraner, Marc; Vila, Carlos; Muñoz, M. Carmen; Pedro, José R.; Blay, Gonzalo","A Cu-BOX catalysed enantioselective Mukaiyama-aldol reaction with difluorinated silyl enol ethers and acylpyridine N-oxides","Organic & Biomolecular Chemistry","2023","21","2","345","350","10.1039/D2OB01763F","","","0.71073","MoKα","","0.0739","0.0397","","","0.09","0.1096","","","","","","1","","","","has coordinates","282621","2023-04-13","12:20:52","" "7159040","7.9771","0.0003","14.2651","0.0006","15.4453","0.0007","90","","90","","90","","1757.58","0.13","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H16 O3 -","- C24 H16 O3 -","- C96 H64 O12 -","4","1","","Shankar, Mallepalli; Kumara Swamy, K. C.","Ru(II)-catalysed oxidative (4 + 2) annulation of chromene and coumarin carboxylic acids with alkynes/propargylic alcohols: isolation of Ru(0) complexes.","Organic & biomolecular chemistry","2022","21","1","195","208","10.1039/d2ob01890j","","","0.71073","MoKα","","0.0315","0.0288","","","0.0727","0.0747","","","","","","1.103","","","","has coordinates","281553","2023-03-04","18:38:22","" "7159041","16.4674","0.001","7.5481","0.0005","16.6864","0.001","90","","117.646","0.002","90","","1837.3","0.2","297","2","297.46","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br Cl O4 -","- C21 H15 Br Cl O4 -","- C84 H60 Br4 Cl4 O16 -","4","1","","Shankar, Mallepalli; Kumara Swamy, K. C.","Ru(II)-catalysed oxidative (4 + 2) annulation of chromene and coumarin carboxylic acids with alkynes/propargylic alcohols: isolation of Ru(0) complexes.","Organic & biomolecular chemistry","2022","21","1","195","208","10.1039/d2ob01890j","","","0.71073","MoKα","","0.055","0.0462","","","0.1256","0.132","","","","","","1.061","","","","has coordinates","281553","2023-03-04","18:38:22","" "7159042","52.655","0.004","7.5681","0.0004","19.8301","0.0012","90","","90","","90","","7902.3","0.9","295","2","295","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C26 H18 O4 -","- C26 H18 O4 -","- C416 H288 O64 -","16","1","","Shankar, Mallepalli; Kumara Swamy, K. C.","Ru(II)-catalysed oxidative (4 + 2) annulation of chromene and coumarin carboxylic acids with alkynes/propargylic alcohols: isolation of Ru(0) complexes.","Organic & biomolecular chemistry","2022","21","1","195","208","10.1039/d2ob01890j","","","0.71073","MoKα","","0.0384","0.0339","","","0.0851","0.0873","","","","","","1.076","","","","has coordinates","281553","2023-03-04","18:38:22","" "7159043","5.1663","0.0002","14.7442","0.0005","12.9318","0.0005","90","","98.432","0.004","90","","974.41","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 Br O4 -","- C21 H25 Br O4 -","- C42 H50 Br2 O8 -","2","1","","Shankar, Mallepalli; Kumara Swamy, K. C.","Ru(II)-catalysed oxidative (4 + 2) annulation of chromene and coumarin carboxylic acids with alkynes/propargylic alcohols: isolation of Ru(0) complexes.","Organic & biomolecular chemistry","2022","21","1","195","208","10.1039/d2ob01890j","","","0.71073","MoKα","","0.0679","0.0544","","","0.1328","0.1402","","","","","","1.041","","","","has coordinates","281553","2023-03-04","18:38:22","" "7159044","18.2137","0.0011","9.1058","0.0006","17.3141","0.001","90","","104.407","0.002","90","","2781.2","0.3","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 O3 Ru -","- C36 H32 O3 Ru -","- C144 H128 O12 Ru4 -","4","1","","Shankar, Mallepalli; Kumara Swamy, K. C.","Ru(II)-catalysed oxidative (4 + 2) annulation of chromene and coumarin carboxylic acids with alkynes/propargylic alcohols: isolation of Ru(0) complexes.","Organic & biomolecular chemistry","2022","21","1","195","208","10.1039/d2ob01890j","","","0.71073","MoKα","","0.0231","0.0201","","","0.052","0.0543","","","","","","1.0828","","","","has coordinates","281553","2023-03-04","18:38:22","" "7159045","19.976","0.0012","6.7233","0.0003","14.7489","0.001","90","","100.337","0.005","90","","1948.7","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Psammaplin B","(E)-3-(3'-bromo-4'-hydroxyphenyl)-2-(hydroxyimino)-N-(2''-thiocyanatoethyl)proppanamide ethyl acetate","","- C16 H20 Br N3 O5 S -","- C16 H20 Br N3 O5 S -","- C64 H80 Br4 N12 O20 S4 -","4","1","","Grundke, Caroline; Groß, Jonathan; Vierengel, Nina; Sirleaf, Jason; Schmitz, Matthias; Krieger, Leonie; Opatz, Till","Complementary mechanochemical and biphasic approaches for the synthesis of organic thiocyanates using hexacyanoferrates as non-toxic cyanide sources.","Organic & biomolecular chemistry","2023","21","3","644","650","10.1039/d2ob02216h","","","0.71073","MoKα","","0.0619","0.0437","","","0.0869","0.0966","","","","","","1.134","","","","has coordinates","283492","2023-05-05","03:29:38","" "7159046","9.9977","0.0007","10.0721","0.0007","10.6301","0.0008","73.343","0.007","82.375","0.006","63.636","0.007","918.83","0.13","293","1","293","1","","","","","","","","4","P -1","-P 1","2","","(E)-4,4-dimethyl-1-(3-nitro-1H-indol-1-yl)-1-phenylpent-1-en-3-one","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C42 H40 N4 O6 -","2","1","","Dutta, Lona; Chattopadhyay, Anwita; Yadav, Nisha; Ramasastry, S. S. V.","Phosphine-catalysed denitrative rearomatising (3 + 2) annulation of α,β-ynones and 3-nitroindoles.","Organic & biomolecular chemistry","2023","21","4","738","742","10.1039/d2ob02180c","","x-ray","0.71073","MoKα","","0.11","0.0648","","","0.1642","0.2074","","","","","","1.024","","","","has coordinates,has disorder","281568","2023-03-04","18:40:33","" "7159047","9.3597","0.0008","18.0931","0.0015","7.444","0.0008","90","","96.26","0.008","90","","1253.1","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C52 H52 N12 O4 -","4","1","","Obydennov, Dmitrii L.; Simbirtseva, Alena E.; Shirinkin, Alexander S.; Kornev, Mikhail Y.; Sosnovskikh, Vyacheslav Y.","A novel strategy for the functionalization and design of 4-methylene-4H-pyran merocyanines via enamination and 1,8-conjugate addition.","Organic & biomolecular chemistry","2023","21","3","600","620","10.1039/d2ob01862d","","x-ray","0.71073","MoKα","","0.1391","0.0694","","","0.1681","0.2367","","","","","","1.022","","","","has coordinates","283493","2023-05-05","03:30:00","" "7159048","4.803","0.003","15.071","0.011","17.003","0.012","94.37","0.02","93.8","0.02","97.93","0.02","1211.8","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","2","","Dutta, Nilakshi; Dutta, Bidyutjyoti; Dutta, Apurba; Sarma, Bipul; Sarma, Diganta","Room temperature ligand-free Cu2O-H2O2 catalyzed tandem oxidative synthesis of quinazoline-4(3H)-one and quinazoline derivatives.","Organic & biomolecular chemistry","2023","21","4","748","753","10.1039/d2ob02085h","","","0.71073","MoKα","","0.3482","0.0635","","","0.1195","0.2078","","","","","","0.805","","","","has coordinates","281572","2023-03-04","18:41:00","" "7159049","8.1378","0.0001","24.1686","0.0004","10.0882","0.0002","90","","111.523","0.001","90","","1845.79","0.05","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N3 O3 -","- C22 H21 N3 O3 -","- C88 H84 N12 O12 -","4","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Mityanov, Vitaly S.","Assembly of isoxazol-5-one with 2-unsubstituted imidazole N-oxides and aldehydes.","Organic & biomolecular chemistry","2023","21","3","651","659","10.1039/d2ob02157a","","","0.71073","MoKα","","0.0536","0.0421","","","0.1019","0.1092","","","","","","1.024","","","","has coordinates","283495","2023-05-05","03:30:13","" "7159050","8.3902","0.0002","11.0278","0.0002","14.1048","0.0003","70.487","0.001","84.727","0.001","72.34","0.001","1172.06","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C50 H54 N6 O12 -","2","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Mityanov, Vitaly S.","Assembly of isoxazol-5-one with 2-unsubstituted imidazole N-oxides and aldehydes.","Organic & biomolecular chemistry","2023","21","3","651","659","10.1039/d2ob02157a","","","0.71073","MoKα","","0.062","0.045","","","0.1017","0.1111","","","","","","1.019","","","","has coordinates","283495","2023-05-05","03:30:13","" "7159051","8.026","0.0002","18.0409","0.0004","10.1247","0.0002","90","","90","","90","","1466.02","0.06","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Mityanov, Vitaly S.","Assembly of isoxazol-5-one with 2-unsubstituted imidazole N-oxides and aldehydes.","Organic & biomolecular chemistry","2023","21","3","651","659","10.1039/d2ob02157a","","","0.71073","MoKα","","0.0367","0.0304","","","0.0718","0.0729","","","","","","1.022","","","","has coordinates","283495","2023-05-05","03:30:13","" "7159052","7.7044","0.0001","12.9589","0.0002","20.3448","0.0003","90","","92.514","0.001","90","","2029.28","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl2 N3 O3 -","- C22 H19 Cl2 N3 O3 -","- C88 H76 Cl8 N12 O12 -","4","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Mityanov, Vitaly S.","Assembly of isoxazol-5-one with 2-unsubstituted imidazole N-oxides and aldehydes.","Organic & biomolecular chemistry","2023","21","3","651","659","10.1039/d2ob02157a","","","0.71073","MoKα","","0.0404","0.0335","","","0.0823","0.0865","","","","","","1.027","","","","has coordinates","283495","2023-05-05","03:30:13","" "7159053","10.0935","0.0001","13.2224","0.0001","28.2845","0.0002","90","","93.901","0.001","90","","3766.11","0.05","298.3","0.3","298.3","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 Br N O9 S -","- C31 H30 Br N O9 S -","- C124 H120 Br4 N4 O36 S4 -","4","1","","Lin, Meng-Ling; Zheng, Ting; Liu, Hao; Wang, Ying-Xu; Dong, Lin","Three-component acyloxylation of diazo compounds with carboxylic acids and azadienes.","Organic & biomolecular chemistry","2023","21","5","925","929","10.1039/d2ob02133a","","x-ray","1.54184","CuKα","","0.0441","0.041","","","0.1229","0.1258","","","","","","1.065","","","","has coordinates","281567","2023-03-04","18:40:26","" "7159054","15.456","0.006","8.301","0.003","13.506","0.005","90","","102.264","0.007","90","","1693.3","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 F N O5 -","- C17 H20 F N O5 -","- C68 H80 F4 N4 O20 -","4","1","","Lv, Yanxia; Hou, Zhong-Wei; Wang, Yi; Li, Pinhua; Wang, Lei","Electrochemical monofluoroalkylation cyclization of N-arylacrylamides to construct monofluorinated 2-oxindoles.","Organic & biomolecular chemistry","2023","21","5","1014","1020","10.1039/d2ob01883g","","","0.71073","MoKα","","0.0765","0.0474","","","0.1143","0.1245","","","","","","1.069","","","","has coordinates","281566","2023-03-04","18:40:19","" "7159055","12.4038","0.0019","6.0006","0.0009","18.43","0.003","90","","105.886","0.004","90","","1319.4","0.4","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 N2 O8 -","- C31 H28 N2 O8 -","- C62 H56 N4 O16 -","2","1","","van der Loo, Cornelis H. M.; Schim van der Loeff, Rutger; Martín, Avelino; Gomez-Sal, Pilar; Borst, Mark L. G.; Pouwer, Kees; Minnaard, Adriaan J.","π-Facial selectivity in the Diels-Alder reaction of glucosamine-based chiral furans and maleimides.","Organic & biomolecular chemistry","2023","21","9","1888","1894","10.1039/d2ob02221d","","","0.71073","MoKα","","0.0859","0.0452","","","0.0804","0.0962","","","","","","1.035","","","","has coordinates","283461","2023-05-05","03:19:40","" "7159056","15.094","0.003","18.129","0.003","14.04","0.002","90","","90","","90","","3841.9","1.1","144.98","","144.98","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C42 H41 N3 O6 -","- C42 H41 N3 O6 -","- C168 H164 N12 O24 -","4","1","","Das, Arnab; Ghosh, Atanu; Sinha, Surajit","C5-pyrimidine-functionalized morpholino oligonucleotides exhibit differential binding affinity, target specificity and lipophilicity.","Organic & biomolecular chemistry","2023","21","6","1242","1253","10.1039/d2ob01759h","","","0.71073","MoKα","","0.0805","0.0493","","","0.1117","0.1314","","","","","","1.026","","","","has coordinates","298703","2025-04-03","05:34:21","" "7159057","9.4913","0.0002","11.5055","0.0002","19.8764","0.0004","90","","95.697","0.002","90","","2159.82","0.07","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-chlorophenyl)-5-(5-oxo-1,5-diphenylpent-1-yn-3-yl)furan-2(5H)-one","","- C27 H19 Cl O3 -","- C27 H19 Cl O3 -","- C108 H76 Cl4 O12 -","4","1","","Zhang, Mengchu; Yu, Sifan; Hua, Ruyu; Zhang, Dan; Qiu, Huang; Hu, Wenhao","Copper-catalyzed multicomponent assembly of γ-butenolides via the interception of carbonyl ylides with iminium ions.","Organic & biomolecular chemistry","2023","21","4","783","788","10.1039/d2ob02075k","","x-ray","1.54184","CuKα","","0.0723","0.0635","","","0.1766","0.1844","","","","","","1.051","","","","has coordinates","281569","2023-03-04","18:40:41","" "7159058","23.368","0.0005","13.3744","0.0003","12.7991","0.0003","90","","95.115","0.002","90","","3984.21","0.16","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 O3 -","- C27 H20 O3 -","- C216 H160 O24 -","8","1","","Zhang, Mengchu; Yu, Sifan; Hua, Ruyu; Zhang, Dan; Qiu, Huang; Hu, Wenhao","Copper-catalyzed multicomponent assembly of γ-butenolides via the interception of carbonyl ylides with iminium ions.","Organic & biomolecular chemistry","2023","21","4","783","788","10.1039/d2ob02075k","","x-ray","1.54184","CuKα","","0.0635","0.0452","","","0.1141","0.1259","","","","","","1.045","","","","has coordinates","281569","2023-03-04","18:40:41","" "7159059","7.608","0.0003","10.7491","0.0003","13.6882","0.0004","104.255","0.002","103.185","0.003","102.624","0.003","1010.59","0.06","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O5 -","- C25 H19 N O5 -","- C50 H38 N2 O10 -","2","1","","Zhang, Mengchu; Yu, Sifan; Hua, Ruyu; Zhang, Dan; Qiu, Huang; Hu, Wenhao","Copper-catalyzed multicomponent assembly of γ-butenolides via the interception of carbonyl ylides with iminium ions.","Organic & biomolecular chemistry","2023","21","4","783","788","10.1039/d2ob02075k","","x-ray","1.54184","CuKα","","0.0498","0.0412","","","0.1077","0.1224","","","","","","1.099","","","","has coordinates","281569","2023-03-04","18:40:41","" "7159060","5.537","0.003","11.122","0.005","13.317","0.006","100.097","0.006","96.581","0.006","96.739","0.006","794.1","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Br N2 O -","- C19 H15 Br N2 O -","- C38 H30 Br2 N4 O2 -","2","1","","Chen, Wenxi; Mao, Yan; Wang, Min; Ling, Fei; Li, Changchang; Chen, Zhangpei; Yao, Jinzhong","Rh(III)-catalyzed [4 + 1] cyclization of aryl substituted pyrazoles with cyclopropanols via C-H activation.","Organic & biomolecular chemistry","2023","21","4","775","782","10.1039/d2ob02001g","","","0.71073","MoKα","","0.0563","0.0364","","","0.07","0.0752","","","","","","1.024","","","","has coordinates","281571","2023-03-04","18:40:55","" "7159061","13.321","0.002","6.8496","0.0011","18.783","0.003","90","","110.77","","90","","1602.4","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O3 -","- C19 H14 N2 O3 -","- C76 H56 N8 O12 -","4","1","","Sarkar, Prabhat; Saha, Pinaki; Ghosh, Prasanta; Mukhopadhyay, Chhanda","Metal-free, I2-promoted direct synthesis of 2-cyano-substituted maleimides via a unique 3,3-dicyano-2-arylacrylic acid intermediate.","Organic & biomolecular chemistry","2023","21","4","789","796","10.1039/d2ob01725c","","","0.71073","MoKα","","0.0972","0.0597","","","0.1521","0.1796","","","","","","0.979","","","","has coordinates","281573","2023-03-04","18:41:07","" "7159062","10.9737","0.0017","7.6375","0.0012","17.77","0.003","90","","102.947","0.005","90","","1451.5","0.4","164","2","164","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O3 -","- C18 H12 N2 O3 -","- C72 H48 N8 O12 -","4","1","","Sarkar, Prabhat; Saha, Pinaki; Ghosh, Prasanta; Mukhopadhyay, Chhanda","Metal-free, I2-promoted direct synthesis of 2-cyano-substituted maleimides via a unique 3,3-dicyano-2-arylacrylic acid intermediate.","Organic & biomolecular chemistry","2023","21","4","789","796","10.1039/d2ob01725c","","","0.71073","MoKα","","0.0649","0.0555","","","0.1642","0.1756","","","","","","1.003","","","","has coordinates","281573","2023-03-04","18:41:07","" "7159063","8.342","0.003","12.518","0.005","13.597","0.005","87.692","0.005","75.65","0.006","77.497","0.006","1342.8","0.9","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","0918","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C60 H76 N4 O8 -","4","2","","Wu, Qingkun; Hou, Jingxuan; Gu, Qingshan; Gao, Hui; Shi, Meiqi; Zheng, Lu","PhI(OAc)2/Pd(OAc)2 promoted the formation of 8-hydroxyquinoline derivatives from benzoxazoles and alcohols.","Organic & biomolecular chemistry","2023","21","6","1148","1152","10.1039/d2ob01712a","","","0.71073","MoKα","","0.1067","0.0554","","","0.1165","0.1416","","","","","","1.0148","","","","has coordinates","281581","2023-03-04","18:42:10","" "7159064","10.03496","0.00017","12.9944","0.0002","13.45263","0.0002","71.2298","0.0014","77.3026","0.0013","82.5521","0.0014","1616.99","0.05","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H34 O4 S2 -","- C39 H34 O4 S2 -","- C78 H68 O8 S4 -","2","1","","Hsueh, Nai-Chen; Wang, Yu-Han; Chang, Meng-Yang","Sequential condensation and double desulfonylative cyclopropanation of 1,2-bis(sulfonylmethyl)arenes with 3-arylacroleins: access to biscyclopropane-fused tetralins.","Organic & biomolecular chemistry","2023","21","6","1206","1221","10.1039/d2ob02188a","","x-ray","0.71073","MoKα","","0.0415","0.0365","","","0.0955","0.0986","","","","","","1.103","","","","has coordinates","281579","2023-03-04","18:41:49","" "7159065","10.0372","0.0002","13.1158","0.0002","13.3176","0.0003","70.533","0.002","77.497","0.002","82.641","0.001","1610.8","0.06","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H33 F O4 S2 -","- C39 H33 F O4 S2 -","- C78 H66 F2 O8 S4 -","2","1","","Hsueh, Nai-Chen; Wang, Yu-Han; Chang, Meng-Yang","Sequential condensation and double desulfonylative cyclopropanation of 1,2-bis(sulfonylmethyl)arenes with 3-arylacroleins: access to biscyclopropane-fused tetralins.","Organic & biomolecular chemistry","2023","21","6","1206","1221","10.1039/d2ob02188a","","x-ray","0.71073","MoKα","","0.0407","0.0375","","","0.1009","0.1032","","","","","","1.069","","","","has coordinates","281579","2023-03-04","18:41:49","" "7159066","10.1215","0.0003","12.73","0.0003","13.7066","0.0004","76","0.002","76.377","0.003","83.538","0.002","1662.49","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H36 O5 S2 -","- C40 H36 O5 S2 -","- C80 H72 O10 S4 -","2","1","","Hsueh, Nai-Chen; Wang, Yu-Han; Chang, Meng-Yang","Sequential condensation and double desulfonylative cyclopropanation of 1,2-bis(sulfonylmethyl)arenes with 3-arylacroleins: access to biscyclopropane-fused tetralins.","Organic & biomolecular chemistry","2023","21","6","1206","1221","10.1039/d2ob02188a","","x-ray","0.71073","MoKα","","0.0383","0.0342","","","0.0908","0.0934","","","","","","1.077","","","","has coordinates","281579","2023-03-04","18:41:49","" "7159067","13.4129","0.0003","9.4208","0.0002","20.8615","0.0004","90","","99.682","0.002","90","","2598.52","0.1","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 O3 S -","- C33 H30 O3 S -","- C132 H120 O12 S4 -","4","1","","Hsueh, Nai-Chen; Wang, Yu-Han; Chang, Meng-Yang","Sequential condensation and double desulfonylative cyclopropanation of 1,2-bis(sulfonylmethyl)arenes with 3-arylacroleins: access to biscyclopropane-fused tetralins.","Organic & biomolecular chemistry","2023","21","6","1206","1221","10.1039/d2ob02188a","","x-ray","0.71073","MoKα","","0.0399","0.0359","","","0.0953","0.0977","","","","","","1.056","","","","has coordinates","281579","2023-03-04","18:41:49","" "7159068","4.896","0.005","10.615","0.012","26.62","0.03","90","","90","","90","","1383","3","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 I N O -","- C16 H12 I N O -","- C64 H48 I4 N4 O4 -","4","1","","Deng, Haowen; Wang, Jianshe; He, Wei; Ye, Yang; Bai, Renren; Zhang, Xuelei; Ye, Xiang-Yang; Xie, Tian; Hui, Zi","Microwave-assisted rapid synthesis of chiral oxazolines.","Organic & biomolecular chemistry","2023","21","11","2312","2319","10.1039/d2ob02192g","","","0.71073","MoKα","","0.0765","0.0346","","","0.0581","0.0695","","","","","","0.997","","","","has coordinates","283473","2023-05-05","03:23:04","" "7159069","10.5837","0.0011","14.4099","0.0013","12.4674","0.0013","90","","90.773","0.004","90","","1901.2","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Raji Reddy, Chada; Nair, Karna; Patil, Amol D.; Donthiri, Ramachandra Reddy; Grée, René","Domino alkyne insertion/aldol reaction/aromatization of 2-alkynyl indole-3-carbaldehyde with 1,3-diketones: entry to 2-indolyl phenols","Organic & Biomolecular Chemistry","2023","21","5","1046","1055","10.1039/D2OB02025D","","","0.71073","MoKα","","0.0978","0.0666","","","0.144","0.1642","","","","","","1.072","","","","has coordinates","282621","2023-04-13","12:20:53","" "7159070","8.012","0.0001","11.4236","0.0002","18.6445","0.0003","90","","101.794","0.002","90","","1670.43","0.05","104.3","0.8","104.3","0.8","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H53 N O5 Si2 -","- C32 H53 N O5 Si2 -","- C64 H106 N2 O10 Si4 -","2","1","","Earl, Andrew D. W.; Li, Freda F.; Ma, Chao; Furkert, Daniel P.; Brimble, Margaret A.","Stereoselective synthesis of the spirocyclic core of 13-desmethyl spirolide C using an aza-Claisen rearrangement and an exo-selective Diels-Alder cycloaddition.","Organic & biomolecular chemistry","2023","21","6","1222","1234","10.1039/d2ob01992b","","x-ray","1.54184","CuKα","","0.034","0.0311","","","0.0735","0.0747","","","","","","1.037","","","","has coordinates","281583","2023-03-04","18:42:22","" "7159071","23.9849","0.0014","14.481","0.0008","12.3512","0.0006","90","","117.884","0.003","90","","3791.8","0.4","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C32 H38 O10 -","- C32 H38 O10 -","- C128 H152 O40 -","4","1","","Shang, Chong; Huang, Xiao-Yan; Wang, Yuan; Dong, Wei; He, Xiao-Feng; Li, Tian-Ze; Chen, Ji-Jun","Artemongolides A-F, undescribed sesquiterpenoid dimers from Artemisia mongolica and their antihepatic fibrosis activities.","Organic & biomolecular chemistry","2023","21","4","823","831","10.1039/d2ob02182j","","","1.54178","CuKα","","0.0898","0.0728","","","0.2117","0.2296","","","","","","1.072","","","","has coordinates","281570","2023-03-04","18:40:49","" "7159072","9.7168","0.0002","13.2364","0.0003","24.3055","0.0005","90","","90","","90","","3126.06","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H50 O9 -","- C33 H50 O9 -","- C132 H200 O36 -","4","1","","Shang, Chong; Huang, Xiao-Yan; Wang, Yuan; Dong, Wei; He, Xiao-Feng; Li, Tian-Ze; Chen, Ji-Jun","Artemongolides A-F, undescribed sesquiterpenoid dimers from Artemisia mongolica and their antihepatic fibrosis activities.","Organic & biomolecular chemistry","2023","21","4","823","831","10.1039/d2ob02182j","","","1.54178","CuKα","","0.0257","0.0255","","","0.0651","0.0652","","","","","","1.035","","","","has coordinates,has disorder","281570","2023-03-04","18:40:49","" "7159073","14.5446","0.0012","7.9372","0.0006","15.4692","0.0013","90","","107.17","0.003","90","","1706.2","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H35 Cl N2 O7 S -","- C36 H35 Cl N2 O7 S -","- C72 H70 Cl2 N4 O14 S2 -","2","1","","Prasad, Madavi S.; Sivaprakash, Murugesan; Bharani, Sankar; Chowhan, L. Raju","Trienamine catalysed unprecedented remote olefin E/Z isomerisation/[4 + 2]-cycloaddition reaction to access spirooxindole hexahydroindoles.","Organic & biomolecular chemistry","2023","21","5","945","949","10.1039/d2ob02228a","","","0.71073","MoKα","","0.0898","0.0542","","","0.1133","0.1314","","","","","","1.033","","","","has coordinates","281564","2023-03-04","18:40:07","" "7159074","16.0354","0.0008","8.8058","0.0004","21.4285","0.0011","90","","101.895","0.002","90","","2960.8","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Cl2 N O3 -","- C32 H21 Cl2 N O3 -","- C128 H84 Cl8 N4 O12 -","4","1","","Guan, Pengcheng; Ma, Rong; Liu, Minghui; Kong, Lingkai; Han, Yu; Wang, Chengyu","AlCl3-catalyzed chemoselective cascade reactions of 4-anilinocoumarins with 2-furylcarbinols: access to densely functionalized chromeno[4,3-b]pyrrol-4(1H)-one derivatives.","Organic & biomolecular chemistry","2023","21","7","1379","1383","10.1039/d2ob02248f","","","0.71073","MoKα","","0.0613","0.0498","","","0.1301","0.1364","","","","","","1.057","","","","has coordinates","281593","2023-03-04","18:44:22","" "7159075","14.7295","0.0001","15.7269","0.0001","22.3191","0.0002","108.009","0.0006","104.293","0.0006","93.4445","0.0006","4712.21","0.07","93","2","93","2","","","","","","","","4","P -1","-P 1","2","asymetrically substituted tripyrrin","1-(3,5-di-tert-butyl)phenylamino-14-(3,5-bis(trifluoromethyl)phenylamino)tripyrrin","","- C108 H114 F12 N10 -","- C108 H114 F12 N10 -","- C216 H228 F24 N20 -","2","1","","Fukuda, Yui; Akamatsu, Yuki; Umetani, Masataka; Kise, Koki; Kato, Kenichi; Osuka, Atsuhiro; Tanaka, Takayuki","Double helices of dissymmetrical α,α'-disubstituted tripyrrins.","Organic & biomolecular chemistry","2023","21","6","1158","1162","10.1039/d2ob02125k","","","1.54184","CuKα","","0.05","0.0477","","","0.1255","0.1274","","","","","","1.031","","","","has coordinates,has disorder","281580","2023-03-04","18:42:01","" "7159076","28.6554","0.0004","15.7158","0.0002","16.5684","0.0002","90","","91.549","0.001","90","","7458.73","0.17","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-(4-methoxyphenylamino)-14-(3,5-bis(trifluoromethyl)phenylamino)tripyrrin","","- C42 H31 Cl2 F6 N5 O -","- C42 H31 Cl2 F6 N5 O -","- C336 H248 Cl16 F48 N40 O8 -","8","1","","Fukuda, Yui; Akamatsu, Yuki; Umetani, Masataka; Kise, Koki; Kato, Kenichi; Osuka, Atsuhiro; Tanaka, Takayuki","Double helices of dissymmetrical α,α'-disubstituted tripyrrins.","Organic & biomolecular chemistry","2023","21","6","1158","1162","10.1039/d2ob02125k","","","1.54184","CuKα","","0.0726","0.0699","","","0.2076","0.2104","","","","","","1.102","","","","has coordinates,has disorder","281580","2023-03-04","18:42:01","" "7159077","9.0597","0.001","10.5126","0.001","15.4673","0.0014","90","","91.397","0.009","90","","1472.7","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N4 O -","- C17 H18 N4 O -","- C68 H72 N16 O4 -","4","1","","Roy, Moumita Singha; Meng, Xiaofeng; Koda, Karuna; Shrestha, Andrina; Putman, Joshua I.; Gout, Delphine; Armstrong, Daniel W.; Lovely, Carl J.","Total synthesis of haploscleridamine, villagorgin A and an approach towards lissoclin C.","Organic & biomolecular chemistry","2023","21","7","1422","1434","10.1039/d2ob01908f","","x-ray","0.71073","MoKα","","0.0761","0.0761","","","0.0447","0.0447","","","","1.54","1.54","1.54","","","","has coordinates","281591","2023-03-04","18:44:09","" "7159078","10.5924","0.001","12.6329","0.0011","15.3842","0.0017","90","","92.6","0.004","90","","2056.5","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N3 S -","- C24 H25 N3 S -","- C96 H100 N12 S4 -","4","1","","Ye, Peng; Li, Huan-Le; Pu, Jun; Chen, Lei; Wang, Shuang; Xu, Zhen-Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Iridium-catalysed thioether-directed regioselective cycloaddition of internal alkynes with azides.","Organic & biomolecular chemistry","2023","21","7","1389","1394","10.1039/d2ob02082c","","x-ray","0.71073","MoKα","","0.1071","0.0719","","","0.1808","0.2034","","","","","","1.033","","","","has coordinates","281588","2023-03-04","18:43:39","" "7159079","18.218","0.0006","18.4206","0.0006","29.4522","0.001","105.871","0.003","95.14","0.003","114.061","0.003","8450.4","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C262 H266 Cl24 N40 O42 -","- C262 H176 Cl24 N40 O42 -","- C262 H176 Cl24 N40 O42 -","1","0.5","","Menke, Friedericke S.; Mazzier, Daniela; Wicher, Barbara; Allmendinger, Lars; Kauffmann, Brice; Maurizot, Victor; Huc, Ivan","Molecular torsion springs: alteration of helix curvature in frustrated tertiary folds.","Organic & biomolecular chemistry","2023","21","6","1275","1283","10.1039/d2ob02109a","","","1.54184","CuKα","","0.1777","0.1624","","","0.4515","0.4671","","","","","","1.811","","","","has coordinates,has disorder","281584","2023-03-04","18:42:37","" "7159080","25.12","0.005","27.45","0.006","40.02","0.008","90","","90","","90","","27596","10","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C245.7 H233.7 Cl23.69 N40 O42 -","- C245.036 H139.696 Cl23.696 N40 O42 -","- C980.144 H558.784 Cl94.784 N160 O168 -","4","0.5","","Menke, Friedericke S.; Mazzier, Daniela; Wicher, Barbara; Allmendinger, Lars; Kauffmann, Brice; Maurizot, Victor; Huc, Ivan","Molecular torsion springs: alteration of helix curvature in frustrated tertiary folds.","Organic & biomolecular chemistry","2023","21","6","1275","1283","10.1039/d2ob02109a","","","0.81","synchrotron","","0.1606","0.1596","","","0.544","0.548","","","","","","3.204","","","","has coordinates,has disorder","281584","2023-03-04","18:42:37","" "7159082","7.2778","0.0002","10.1592","0.0004","10.846","0.0004","91.681","0.003","102.741","0.003","101.624","0.003","763.84","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","diethyl (phenyl(propionamido)methyl)phosphonate","","- C14 H22 N O4 P -","- C14 H22 N O4 P -","- C28 H44 N2 O8 P2 -","2","1","","Varga, Petra Regina; Karaghiosoff, Konstantin; Sári, Éva Viktória; Simon, András; Hegedűs, László; Drahos, László; Keglevich, György","New N-acyl- as well as N-phosphonoylmethyl- and N-phosphinoylmethyl-α-amino-benzylphosphonates by acylation and a tandem Kabachnik–Fields protocol","Organic & Biomolecular Chemistry","2023","21","8","1709","1718","10.1039/D3OB00010A","","","0.71073","MoKα","","0.0486","0.039","","","0.0998","0.1072","","","","","","1.026","","","","has coordinates","282621","2023-04-13","12:20:53","" "7159083","6.786","0.002","15.114","0.005","24.774","0.008","90","","90","","90","","2540.9","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 N2 O3 Si -","- C23 H36 N2 O3 Si -","- C92 H144 N8 O12 Si4 -","4","1","","Zhang, Yu; Yi, Zi-Juan; Yang, Ai-Mei; Guo, Jia-Ming; Li, Xin; Wei, Bang-Guo","AgSbF6-catalyzed C3 aza-Friedel-Crafts alkylation of N,O-acetals with indoles for the synthesis of N-α indole substituted pyrrolidine and piperidine derivatives.","Organic & biomolecular chemistry","2023","21","6","1303","1315","10.1039/d2ob02213c","","","0.71073","MoKα","","0.0788","0.0489","","","0.1138","0.1339","","","","","","1.016","","","","has coordinates","281585","2023-03-04","18:42:45","" "7159084","10.206","0.0005","11.4624","0.0006","12.4467","0.0006","90","","106.937","0.002","90","","1392.92","0.12","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H44 N2 O3 Si -","- C27 H44 N2 O3 Si -","- C54 H88 N4 O6 Si2 -","2","1","","Zhang, Yu; Yi, Zi-Juan; Yang, Ai-Mei; Guo, Jia-Ming; Li, Xin; Wei, Bang-Guo","AgSbF6-catalyzed C3 aza-Friedel-Crafts alkylation of N,O-acetals with indoles for the synthesis of N-α indole substituted pyrrolidine and piperidine derivatives.","Organic & biomolecular chemistry","2023","21","6","1303","1315","10.1039/d2ob02213c","","","0.71073","MoKα","","0.0435","0.04","","","0.1032","0.1071","","","","","","1.044","","","","has coordinates,has disorder","281585","2023-03-04","18:42:45","" "7159085","8.6384","0.0009","19.8168","0.0019","9.4404","0.0011","90","","99.588","0.01","90","","1593.5","0.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","C20H14N2O3","","- C20 H14 N2 O3 -","- C20 H14 N2 O3 -","- C80 H56 N8 O12 -","4","1","","Padmavathi, Rayavarapu; Babu, Srinivasarao Arulananda","Pd(II)-catalyzed selective β-C-H functionalization of azobenzene carboxamides.","Organic & biomolecular chemistry","2023","21","13","2689","2694","10.1039/d2ob02261c","","x-ray","0.71073","MoKα","","0.0817","0.0507","","","0.131","0.1634","","","","","","1.043","","","","has coordinates","283450","2023-05-05","03:16:53","" "7159086","13.5849","0.0003","10.6443","0.0003","15.6105","0.0004","90","","100.498","0.001","90","","2219.52","0.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 F3 N O4 -","- C25 H30 F3 N O4 -","- C100 H120 F12 N4 O16 -","4","2","","Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.","Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.","Organic & biomolecular chemistry","2023","21","7","1440","1449","10.1039/d2ob02144g","","","0.71073","MoKα","","0.1003","0.058","","","0.0986","0.1151","","","","","","1.008","","","","has coordinates","281587","2023-03-04","18:43:32","" "7159087","9.0266","0.0017","11.611","0.002","20.467","0.003","90","","90","","90","","2145.1","0.6","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 F3 N O4 -","- C24 H28 F3 N O4 -","- C96 H112 F12 N4 O16 -","4","1","","Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.","Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.","Organic & biomolecular chemistry","2023","21","7","1440","1449","10.1039/d2ob02144g","","","0.71073","MoKα","","0.059","0.0458","","","0.0942","0.1003","","","","","","1.033","","","","has coordinates","281587","2023-03-04","18:43:32","" "7159088","7.0711","0.0013","10.67","0.002","15.423","0.003","90","","100.581","0.004","90","","1143.9","0.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H32 F3 N O4 -","- C26 H32 F3 N O4 -","- C52 H64 F6 N2 O8 -","2","1","","Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.","Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.","Organic & biomolecular chemistry","2023","21","7","1440","1449","10.1039/d2ob02144g","","x-ray","0.71073","MoKα","","0.0518","0.0414","","","0.1015","0.1102","","","","","","1.044","","","","has coordinates,has disorder","281587","2023-03-04","18:43:32","" "7159089","7.9944","0.0002","11.8989","0.0003","25.114","0.0006","90","","90","","90","","2388.96","0.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 F3 N O4 -","- C27 H34 F3 N O4 -","- C108 H136 F12 N4 O16 -","4","1","","Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.","Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.","Organic & biomolecular chemistry","2023","21","7","1440","1449","10.1039/d2ob02144g","","","0.71073","MoKα","","0.0337","0.0315","","","0.0766","0.0779","","","","","","1.02","","","","has coordinates","281587","2023-03-04","18:43:32","" "7159090","10.0899","0.0007","7.6365","0.0005","26.1261","0.0017","90","","98.814","0.003","90","","1989.3","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 F3 N2 O4 -","- C23 H23 F3 N2 O4 -","- C92 H92 F12 N8 O16 -","4","2","","Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.","Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.","Organic & biomolecular chemistry","2023","21","7","1440","1449","10.1039/d2ob02144g","","","0.71073","MoKα","","0.1003","0.0997","","","0.2873","0.29","","","","","","1.457","","","","has coordinates","281587","2023-03-04","18:43:32","" "7159091","8.86737","0.00003","15.02535","0.00006","17.36072","0.00007","90","","91.6634","0.0003","90","","2312.09","0.015","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 F3 N3 -","- C29 H24 F3 N3 -","- C116 H96 F12 N12 -","4","1","","Xu, Xin; Gao, Dandan; Wang, Jiahua; Tang, Xiang-Ying; Wang, Long","The B(C6F5)3·H2O promoted synthesis of fluoroalkylated 3,3',3''-trisindolylmethanes from fluorocarboxylic acids and indoles.","Organic & biomolecular chemistry","2023","21","7","1478","1486","10.1039/d2ob02241a","","x-ray","1.54184","CuKα","","0.0381","0.0377","","","0.0925","0.0928","","","","","","1.073","","","","has coordinates","281592","2023-03-04","18:44:16","" "7159092","9.3177","0.0001","11.8518","0.0001","19.9301","0.0002","96.903","0.001","93.425","0.001","106.005","0.001","2090.29","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 F2 N3 O -","- C26 H21 F2 N3 O -","- C104 H84 F8 N12 O4 -","4","2","","Xu, Xin; Gao, Dandan; Wang, Jiahua; Tang, Xiang-Ying; Wang, Long","The B(C6F5)3·H2O promoted synthesis of fluoroalkylated 3,3',3''-trisindolylmethanes from fluorocarboxylic acids and indoles.","Organic & biomolecular chemistry","2023","21","7","1478","1486","10.1039/d2ob02241a","","x-ray","1.54184","CuKα","","0.0389","0.0376","","","0.0909","0.0918","","","","","","1.009","","","","has coordinates","281592","2023-03-04","18:44:16","" "7159093","10.912","0.005","13.188","0.006","13.432","0.007","63.593","0.006","77.553","0.007","72.143","0.007","1640.8","1.4","300","","300","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H30 O4 -","- C37 H30 O4 -","- C74 H60 O8 -","2","1","","Dong, Jie; Lei, Yu; Hu, Qiong; Zong, Lingli; Zhang, Ke; Zhang, Yajuan; Hu, Yimin","Fused diethynylbenzenes and phenanthrenes via arynes with alkynylsilanes.","Organic & biomolecular chemistry","2023","21","13","2715","2719","10.1039/d2ob02046g","","x-ray","0.71073","MoKα","","0.1313","0.0642","","","0.1768","0.2149","","","","","","0.931","","","","has coordinates","283451","2023-05-05","03:17:09","" "7159094","10.123","0.0006","11.5763","0.0008","14.0706","0.0009","89.032","0.002","77.087","0.002","80.029","0.002","1582.51","0.18","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H39 N O2 S Si -","- C32 H39 N O2 S Si -","- C64 H78 N2 O4 S2 Si2 -","2","1","","Dong, Jie; Lei, Yu; Hu, Qiong; Zong, Lingli; Zhang, Ke; Zhang, Yajuan; Hu, Yimin","Fused diethynylbenzenes and phenanthrenes via arynes with alkynylsilanes.","Organic & biomolecular chemistry","2023","21","13","2715","2719","10.1039/d2ob02046g","","","0.71073","MoKα","","0.1248","0.0653","","","0.1711","0.2137","","","","","","1.012","","","","has coordinates,has disorder","283451","2023-05-05","03:17:11","" "7159095","11.57","0.0008","12.6302","0.0008","15.0893","0.001","111.575","0.002","96.279","0.002","102.106","0.002","1962.3","0.2","300","","300","","","","","","","","","4","P -1","-P 1","2","","8a-ok","","- C42 H46 O4 Si -","- C42 H46 O4 Si -","- C84 H92 O8 Si2 -","2","1","","Dong, Jie; Lei, Yu; Hu, Qiong; Zong, Lingli; Zhang, Ke; Zhang, Yajuan; Hu, Yimin","Fused diethynylbenzenes and phenanthrenes via arynes with alkynylsilanes.","Organic & biomolecular chemistry","2023","21","13","2715","2719","10.1039/d2ob02046g","","x-ray","0.71073","MoKα","","0.1182","0.0598","","","0.1584","0.1923","","","","","","1.037","","","","has coordinates,has disorder","283451","2023-05-05","03:17:21","" "7159096","25.511","0.003","14.995","0.003","15.259","0.002","90","","115.37","0.006","90","","5274.2","1.4","273","2","273.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C35 H26 O4 -","- C35 H26 O4 -","- C280 H208 O32 -","8","1","","Dong, Jie; Lei, Yu; Hu, Qiong; Zong, Lingli; Zhang, Ke; Zhang, Yajuan; Hu, Yimin","Fused diethynylbenzenes and phenanthrenes via arynes with alkynylsilanes.","Organic & biomolecular chemistry","2023","21","13","2715","2719","10.1039/d2ob02046g","","x-ray","0.71073","MoKα","","0.129","0.075","","","0.1883","0.2271","","","","","","1.091","","","","has coordinates","283451","2023-05-05","03:17:23","" "7159097","9.286","0.006","21.161","0.016","18.146","0.013","90","","90.84","0.02","90","","3565","4","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5R,7aS)-3-(4-Chlorophenyl)-7,7-dimethyl-7a-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-d][1,2,4]oxadiazol-5-ol","","- C19 H19 Cl N2 O2 -","- C19 H19 Cl N2 O2 -","- C152 H152 Cl8 N16 O16 -","8","2","","Ivanova, Evgeniya E.; Shabalin, Dmitrii A.; Ushakov, Igor' A.; Vashchenko, Alexander V.; Schmidt, Elena Yu; Trofimov, Boris A.","Diastereoselective synthesis of tetrahydropyrrolo[1,2-d]oxadiazoles from functionalized Δ1-pyrrolines and in situ generated nitrile oxides.","Organic & biomolecular chemistry","2023","21","8","1725","1736","10.1039/d2ob02230c","","","0.71073","MoKα","","0.121","0.05","","","0.0952","0.1172","","","","","","1.025","","","","has coordinates","295677","2024-10-30","18:34:33","" "7159098","14.5995","0.0002","10.0324","0.0002","27.7318","0.0005","90","","104.995","0.0018","90","","3923.5","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H45 N3 O7 S2 -","- C43 H45 N3 O7 S2 -","- C172 H180 N12 O28 S8 -","4","1","","Zhou, Shun; Qian, Hui-Ling; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Yin, Jun-Qing; Zhang, Yan-Ping; Chen, Ming-Feng; Yuan, Wei-Cheng","Diastereoselective synthesis of polycyclic indolines via dearomative [4 + 2] cycloaddition of 3-nitroindoles with ortho-aminophenyl p-quinone methides.","Organic & biomolecular chemistry","2023","21","7","1373","1378","10.1039/d2ob02303b","","x-ray","1.54184","CuKα","","0.0696","0.0552","","","0.1513","0.1659","","","","","","1.035","","","","has coordinates,has disorder","281586","2023-03-04","18:42:51","" "7159099","8.3525","0.0007","11.4569","0.0009","14.7293","0.0011","90","","90.936","0.002","90","","1409.31","0.19","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","","Biswas, Subir; Barman, Dipankar; Gogoi, Gautam; Hoque, Nazimul; Devi, Arpita; Purkayastha, Siddhartha K.; Guha, Ankur Kanti; Nath, Jayanta K.; Bania, Kusum K.","Heterogeneous iron catalyst for C(1)-H functionalization of 2-naphthols with primary aromatic alcohols.","Organic & biomolecular chemistry","2023","21","8","1657","1661","10.1039/d3ob00004d","","","0.71073","MoKα","","0.0659","0.0446","","","0.0863","0.0968","","","","","","1.048","","","","has coordinates","281558","2023-03-04","18:39:07","" "7159100","5.695","0.003","15.637","0.008","15.874","0.008","90","","90","","90","","1413.6","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Biswas, Subir; Barman, Dipankar; Gogoi, Gautam; Hoque, Nazimul; Devi, Arpita; Purkayastha, Siddhartha K.; Guha, Ankur Kanti; Nath, Jayanta K.; Bania, Kusum K.","Heterogeneous iron catalyst for C(1)-H functionalization of 2-naphthols with primary aromatic alcohols.","Organic & biomolecular chemistry","2023","21","8","1657","1661","10.1039/d3ob00004d","","","0.71073","MoKα","","0.2664","0.0851","","","0.1763","0.2597","","","","","","0.916","","","","has coordinates","281558","2023-03-04","18:39:08","" "7159101","15.974","0.007","5.729","0.003","18.827","0.011","90","","119.69","0.011","90","","1496.8","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","1","","Biswas, Subir; Barman, Dipankar; Gogoi, Gautam; Hoque, Nazimul; Devi, Arpita; Purkayastha, Siddhartha K.; Guha, Ankur Kanti; Nath, Jayanta K.; Bania, Kusum K.","Heterogeneous iron catalyst for C(1)-H functionalization of 2-naphthols with primary aromatic alcohols.","Organic & biomolecular chemistry","2023","21","8","1657","1661","10.1039/d3ob00004d","","","0.71073","MoKα","","0.1547","0.06","","","0.1467","0.1955","","","","","","1.014","","","","has coordinates","281558","2023-03-04","18:39:08","" "7159102","10.61","0.002","12.799","0.003","14.258","0.003","63.537","0.005","72.847","0.005","80.933","0.005","1655.5","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","2","","Biswas, Subir; Barman, Dipankar; Gogoi, Gautam; Hoque, Nazimul; Devi, Arpita; Purkayastha, Siddhartha K.; Guha, Ankur Kanti; Nath, Jayanta K.; Bania, Kusum K.","Heterogeneous iron catalyst for C(1)-H functionalization of 2-naphthols with primary aromatic alcohols.","Organic & biomolecular chemistry","2023","21","8","1657","1661","10.1039/d3ob00004d","","","0.71073","MoKα","","0.1253","0.0566","","","0.1508","0.1983","","","","","","1.026","","","","has coordinates","281558","2023-03-04","18:39:08","" "7159103","7.6673","0.0018","10.263","0.002","20.044","0.004","90","","95.911","0.005","90","","1568.9","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C80 H60 N12 O8 -","4","1","","Sankaram, G. Siva; Sahoo, Tanmoy; Sridhar, B.; Subba Reddy, B. V.","Rhodium(III)-catalyzed oxidative annulation of N-arylbenzamidines with maleimides via dual C-H activation.","Organic & biomolecular chemistry","2023","21","8","1719","1724","10.1039/d2ob01972h","","","0.71073","MoKα","","0.0786","0.0494","","","0.123","0.142","","","","","","1.065","","","","has coordinates","281557","2023-03-04","18:38:59","" "7159104","18.464","0.002","7.3813","0.0009","21.18","0.002","90","","110.522","0.005","90","","2703.4","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H11 N3 O2 -","- C18 H11 N3 O2 -","- C144 H88 N24 O16 -","8","2","","Sankaram, G. Siva; Sahoo, Tanmoy; Sridhar, B.; Subba Reddy, B. V.","Rhodium(III)-catalyzed oxidative annulation of N-arylbenzamidines with maleimides via dual C-H activation.","Organic & biomolecular chemistry","2023","21","8","1719","1724","10.1039/d2ob01972h","","","0.71073","MoKα","","0.0971","0.0598","","","0.1481","0.1731","","","","","","1.013","","","","has coordinates","281557","2023-03-04","18:38:59","" "7159105","15.9413","0.0002","11.7661","0.0001","19.6971","0.0002","90","","90","","90","","3694.52","0.07","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 O3 S -","- C23 H20 O3 S -","- C184 H160 O24 S8 -","8","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem C- and O-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0346","0.0313","","","0.0806","0.0823","","","","","","1.06","","","","has coordinates","281589","2023-03-04","18:43:55","" "7159106","9.7982","0.0003","13.2829","0.0004","16.3495","0.0004","113.228","0.002","99","0.002","97.42","0.002","1888.14","0.1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H40 O6 S2 -","- C46 H40 O6 S2 -","- C92 H80 O12 S4 -","2","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem C- and O-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0429","0.0367","","","0.0968","0.1005","","","","","","1.051","","","","has coordinates","281589","2023-03-04","18:43:55","" "7159107","9.6718","0.0003","10.5127","0.0002","12.847","0.0003","113.403","0.002","103.061","0.002","99.138","0.002","1121.72","0.06","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 O3 S -","- C29 H24 O3 S -","- C58 H48 O6 S2 -","2","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem C- and O-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0398","0.0359","","","0.0941","0.097","","","","","","1.056","","","","has coordinates","281589","2023-03-04","18:43:55","" "7159108","10.3517","0.0001","14.6496","0.0002","16.2001","0.0003","85.358","0.001","75.291","0.001","69.754","0.001","2229.33","0.06","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H36 Cl6 F2 O6 S2 -","- C46 H36 Cl6 F2 O6 S2 -","- C92 H72 Cl12 F4 O12 S4 -","2","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem C- and O-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0525","0.0484","","","0.1337","0.1374","","","","","","1.053","","","","has coordinates","281589","2023-03-04","18:43:55","" "7159109","10.3072","0.0001","14.275","0.0003","15.3721","0.0004","62.701","0.002","86.646","0.002","73.353","0.001","1918.57","0.08","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 O6 S2 -","- C40 H38 O6 S2 -","- C80 H76 O12 S4 -","2","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem C- and O-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0699","0.0566","","","0.1609","0.1681","","","","","","1.066","","","","has coordinates","281589","2023-03-04","18:43:55","" "7159110","9.1316","0.0002","12.7947","0.0003","14.486","0.0004","106.306","0.002","107.568","0.002","98.437","0.002","1498.28","0.07","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H36 O6 -","- C38 H36 O6 -","- C76 H72 O12 -","2","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem C- and O-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0542","0.0413","","","0.1025","0.1081","","","","","","1.116","","","","has coordinates","281589","2023-03-04","18:43:55","" "7159111","11.1955","0.0004","13.5009","0.0006","14.0064","0.0006","91.424","0.003","109.342","0.004","107.452","0.004","1887.39","0.15","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H36 O8 S2 -","- C42 H36 O8 S2 -","- C84 H72 O16 S4 -","2","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem C- and O-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0897","0.0623","","","0.1425","0.152","","","","","","1.059","","","","has coordinates","281589","2023-03-04","18:43:55","" "7159112","16.1182","0.0003","11.9825","0.0002","20.408","0.0004","90","","105.952","0.002","90","","3789.75","0.13","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 O4 S -","- C23 H22 O4 S -","- C184 H176 O32 S8 -","8","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem C- and O-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0502","0.0456","","","0.1285","0.1315","","","","","","1.103","","","","has coordinates","281589","2023-03-04","18:43:55","" "7159113","9.7564","0.0002","14.7638","0.0002","17.1919","0.0003","90","","101.078","0.001","90","","2430.2","0.07","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O3 S -","- C30 H26 O3 S -","- C120 H104 O12 S4 -","4","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem C- and O-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0415","0.0357","","","0.0919","0.0952","","","","","","1.077","","","","has coordinates","281589","2023-03-04","18:43:55","" "7159114","14.1278","0.0003","16.6555","0.0003","17.1139","0.0003","85.246","0.002","87.858","0.002","74.443","0.002","3865.64","0.13","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H44 O6 S2 -","- C48 H44 O6 S2 -","- C192 H176 O24 S8 -","4","2","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem C- and O-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0779","0.0579","","","0.1527","0.163","","","","","","1.06","","","","has coordinates","297561","2025-02-01","07:07:34","" "7159115","15.231","0.002","8.7746","0.001","18.051","0.003","90","","101.917","0.014","90","","2360.4","0.6","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","C30H24N4O","","- C30 H24 N4 O -","- C30 H24 N4 O -","- C120 H96 N16 O4 -","4","1","","Suwasia, Sonam; Venkataramani, Sugumar; Babu, Srinivasarao Arulananda","Pd(II)-catalyzed coupling of C-H bonds of carboxamides with iodoazobenzenes toward modified azobenzenes.","Organic & biomolecular chemistry","2023","21","8","1793","1813","10.1039/d2ob02322a","","x-ray","0.71073","MoKα","","0.3211","0.1101","","","0.2698","0.423","","","","","","0.928","","","","has coordinates","281562","2023-03-04","18:39:52","" "7159116","13.2258","0.0005","8.0745","0.0003","19.2139","0.0008","90","","109.317","0.001","90","","1936.37","0.13","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 F N2 S -","- C24 H15 F N2 S -","- C96 H60 F4 N8 S4 -","4","1","","Sahoo, Ashish Kumar; Rakshit, Amitava; Pan, Avishek; Dhara, Hirendra Nath; Patel, Bhisma K.","Visible/solar-light-driven thiyl-radical-triggered synthesis of multi-substituted pyridines.","Organic & biomolecular chemistry","2023","21","8","1680","1691","10.1039/d3ob00009e","","","0.71073","MoKα","","0.0601","0.0407","","","0.0973","0.1182","","","","","","1.037","","","","has coordinates","281559","2023-03-04","18:39:14","" "7159117","11.691","0.0019","10.8177","0.0018","13.581","0.002","90","","99.087","0.005","90","","1696","0.5","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(1E,4Z,6E)-5-hydroxy-1,7-bis(4-methoxyphenyl)hepta-1,4,6-trien-3-one","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","0.5","","Ferreira, Joana R. M.; Alves, Mariana; Sousa, Bárbara; Vieira, Sandra I.; Silva, Artur M. S.; Guieu, Samuel; Cunha, Ângela; Nunes da Silva, Raquel","Curcumin-based molecular probes for fluorescence imaging of fungi","Organic & Biomolecular Chemistry","2023","21","7","1531","1536","10.1039/D2OB01872A","","","0.71073","MoKα","","0.0646","0.0465","","","0.1311","0.1483","","","","","","1.084","","","","has coordinates","282621","2023-04-13","12:20:53","" "7159118","8.84","0.02","10.7","0.03","11.53","0.03","66.33","0.05","75.73","0.07","85.18","0.05","968","4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2,2-difluoro-4,6-bis((E)-4-methoxystyryl)-2H-1l3,3,2l4-dioxaborinine","","- C23 H23 B F2 O4.5 -","- C23 H23 B F2 O4.5 -","- C46 H46 B2 F4 O9 -","2","1","","Ferreira, Joana R. M.; Alves, Mariana; Sousa, Bárbara; Vieira, Sandra I.; Silva, Artur M. S.; Guieu, Samuel; Cunha, Ângela; Nunes da Silva, Raquel","Curcumin-based molecular probes for fluorescence imaging of fungi","Organic & Biomolecular Chemistry","2023","21","7","1531","1536","10.1039/D2OB01872A","","","0.71073","MoKα","","0.0894","0.0543","","","0.1264","0.1442","","","","","","1.023","","","","has coordinates","282621","2023-04-13","12:20:53","" "7159119","6.2441","0.0003","25.3839","0.0008","8.4223","0.0003","90","","101.995","0.004","90","","1305.78","0.09","298.37","0.1","298.37","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O3 -","- C14 H15 N3 O2.994 -","- C56 H60 N12 O11.976 -","4","1","","Li, Yarui; Huang, Xiaoxia; Peng, Shiyong; Wang, Jian; Lang, Ming","NHC-catalyzed [3 + 3] cycloaddition of α-bromoenals with nitroketene aminals or nitroketene N,S-acetals: synthesis of nitro-containing dihydropyridin-2-ones.","Organic & biomolecular chemistry","2023","21","7","1399","1403","10.1039/d2ob02334b","","x-ray","1.54184","CuKα","","0.0688","0.061","","","0.1816","0.1895","","","","","","1.099","","","","has coordinates,has disorder","281590","2023-03-04","18:44:03","" "7159120","8.1791","0.0001","19.9839","0.0003","20.2957","0.0003","90","","90","","90","","3317.34","0.08","298.98","0.1","298.98","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H15 F N2 O3 S -","- C18 H15 F N2 O3 S -","- C144 H120 F8 N16 O24 S8 -","8","1","","Li, Yarui; Huang, Xiaoxia; Peng, Shiyong; Wang, Jian; Lang, Ming","NHC-catalyzed [3 + 3] cycloaddition of α-bromoenals with nitroketene aminals or nitroketene N,S-acetals: synthesis of nitro-containing dihydropyridin-2-ones.","Organic & biomolecular chemistry","2023","21","7","1399","1403","10.1039/d2ob02334b","","x-ray","1.54184","CuKα","","0.0392","0.0349","","","0.0953","0.0986","","","","","","1.056","","","","has coordinates","281590","2023-03-04","18:44:03","" "7159121","8.0523","0.0017","13.171","0.003","17.268","0.004","90","","90","","90","","1831.4","0.7","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","","Belabbes, Asmaa; Retamosa, María Gracia; Foubelo, Francisco; Sirvent, Ana; Nájera, Carmen; Yus, Miguel; Sansano, José M","Pseudo-multicomponent 1,3-dipolar cycloaddition involving metal-free generation of unactivated azomethine ylides.","Organic & biomolecular chemistry","2023","21","9","1927","1936","10.1039/d3ob00023k","","","0.71073","MoKα","","0.0963","0.0447","","","0.0844","0.1038","","","","","","0.967","","","","has coordinates","283460","2023-05-05","03:19:34","" "7159122","6.873","0.0014","20.799","0.004","12.761","0.003","90","","104.29","0.03","90","","1767.8","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N O4 -","- C21 H20 N O4 -","- C84 H80 N4 O16 -","4","1","","Larin, Astrid C. R.; Pfrunder, Michael C.; Mullen, Kathleen M.; Wiedbrauk, Sandra; Boase, Nathan R.; Fairfull-Smith, Kathryn E","Synergistic or antagonistic antioxidant combinations - a case study exploring flavonoid-nitroxide hybrids.","Organic & biomolecular chemistry","2023","21","8","1780","1792","10.1039/d2ob02101c","","","0.7108","Synchrotron","","0.0688","0.0649","","","0.1968","0.2021","","","","","","1.138","","","","has coordinates","281560","2023-03-04","18:39:38","" "7159123","5.8355","0.0002","11.8125","0.0005","14.5365","0.0006","110.197","0.004","96.116","0.003","91.402","0.003","933.05","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C44 H46 N2 O8 -","2","1","","Larin, Astrid C. R.; Pfrunder, Michael C.; Mullen, Kathleen M.; Wiedbrauk, Sandra; Boase, Nathan R.; Fairfull-Smith, Kathryn E","Synergistic or antagonistic antioxidant combinations - a case study exploring flavonoid-nitroxide hybrids.","Organic & biomolecular chemistry","2023","21","8","1780","1792","10.1039/d2ob02101c","","x-ray","0.71073","MoKα","","0.0634","0.0483","","","0.1236","0.1327","","","","","","1.07","","","","has coordinates","281560","2023-03-04","18:39:39","" "7159124","10.664","0.002","34.087","0.007","8.888","0.0018","90","","94.83","0.03","90","","3219.3","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39.75 N2 O6.25 -","- C36 H39.75 N2 O6.25 -","- C144 H159 N8 O25 -","4","1","","Larin, Astrid C. R.; Pfrunder, Michael C.; Mullen, Kathleen M.; Wiedbrauk, Sandra; Boase, Nathan R.; Fairfull-Smith, Kathryn E","Synergistic or antagonistic antioxidant combinations - a case study exploring flavonoid-nitroxide hybrids.","Organic & biomolecular chemistry","2023","21","8","1780","1792","10.1039/d2ob02101c","","","0.7108","Synchrotron","","0.0647","0.0623","","","0.174","0.1762","","","","","","1.057","","","","has coordinates,has disorder","281560","2023-03-04","18:39:39","" "7159125","8.681","0.0017","20.795","0.004","17.362","0.004","90","","91.3","0.03","90","","3133.4","1.1","100","","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H34 N2 O6 -","- C34 H34 N2 O6 -","- C136 H136 N8 O24 -","4","2","","Larin, Astrid C. R.; Pfrunder, Michael C.; Mullen, Kathleen M.; Wiedbrauk, Sandra; Boase, Nathan R.; Fairfull-Smith, Kathryn E","Synergistic or antagonistic antioxidant combinations - a case study exploring flavonoid-nitroxide hybrids.","Organic & biomolecular chemistry","2023","21","8","1780","1792","10.1039/d2ob02101c","","","0.7108","Synchrotron","","0.0879","0.0801","","","0.2142","0.228","","","","","","1.037","","","","has coordinates,has disorder","281560","2023-03-04","18:39:39","" "7159126","22.7717","0.0003","10.3216","0.0002","30.7588","0.0005","90","","90","","90","","7229.6","0.2","93.15","","93.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C48 H32 N8 -","- C48 H32 N8 -","- C384 H256 N64 -","8","2","","Kohei, Miki; Takizawa, Naoki; Tsutsumi, Ryosuke; Xu, Wei; Kumagai, Naoya","Azo-tagged C4N4 fluorophores: unusual overcrowded structures and their application to fluorescent imaging.","Organic & biomolecular chemistry","2023","21","14","2889","2893","10.1039/d3ob00049d","","x-ray","1.54184","CuKα","","0.0579","0.0453","","","0.1125","0.1213","","","","","","1.032","","","","has coordinates","294326","2024-09-02","09:37:27","" "7159127","7.93703","0.00015","15.3896","0.0003","16.2323","0.0003","90","","101.588","0.007","90","","1942.32","0.08","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H8 F12 N4 -","- C20 H8 F12 N4 -","- C80 H32 F48 N16 -","4","1","","Kohei, Miki; Takizawa, Naoki; Tsutsumi, Ryosuke; Xu, Wei; Kumagai, Naoya","Azo-tagged C4N4 fluorophores: unusual overcrowded structures and their application to fluorescent imaging.","Organic & biomolecular chemistry","2023","21","14","2889","2893","10.1039/d3ob00049d","","","1.54187","CuKα","","0.0614","0.0547","","","0.1485","0.1548","","","","","","1.032","","","","has coordinates","283456","2023-05-05","03:18:36","" "7159128","9.1606","0.0002","24.5485","0.0006","9.1691","0.0002","90","","100.233","0.002","90","","2029.14","0.08","93.15","","93.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H48 N8 O10 -","- C42 H48 N8 O10 -","- C84 H96 N16 O20 -","2","1","","Kohei, Miki; Takizawa, Naoki; Tsutsumi, Ryosuke; Xu, Wei; Kumagai, Naoya","Azo-tagged C4N4 fluorophores: unusual overcrowded structures and their application to fluorescent imaging.","Organic & biomolecular chemistry","2023","21","14","2889","2893","10.1039/d3ob00049d","","x-ray","1.54184","CuKα","","0.1611","0.1315","","","0.3082","0.3433","","","","","","1.289","","","","has coordinates","298703","2025-04-03","05:34:21","" "7159129","11.8372","0.0001","23.7847","0.0002","15.4728","0.0001","90","","102.643","0.001","90","","4250.65","0.06","93.15","","93.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 N10 O2 -","- C46 H54 N10 O2 -","- C184 H216 N40 O8 -","4","1","","Kohei, Miki; Takizawa, Naoki; Tsutsumi, Ryosuke; Xu, Wei; Kumagai, Naoya","Azo-tagged C4N4 fluorophores: unusual overcrowded structures and their application to fluorescent imaging.","Organic & biomolecular chemistry","2023","21","14","2889","2893","10.1039/d3ob00049d","","x-ray","1.54184","CuKα","","0.0552","0.0483","","","0.1289","0.1345","","","","","","1.029","","","","has coordinates","283456","2023-05-05","03:18:36","" "7159130","5.4722","0.0005","12.8218","0.0009","8.8354","0.0009","90","","105.364","0.01","90","","597.77","0.1","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C26 H40 O6 -","2","1","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","1.54184","CuKα","","0.0801","0.0767","","","0.2031","0.2065","","","","","","1.106","","","","has coordinates","281556","2023-03-04","18:38:51","" "7159131","9.7675","0.0001","23.1204","0.0002","13.4373","0.0001","90","","98.672","0.001","90","","2999.83","0.05","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C136 H192 O24 -","8","2","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","","1.54184","CuKα","","0.0403","0.0385","","","0.098","0.0992","","","","","","1.044","","","","has coordinates","281556","2023-03-04","18:38:51","" "7159132","7.5883","0.0004","10.7072","0.0006","18.4766","0.001","83.372","0.005","83.439","0.004","78.335","0.005","1453.99","0.14","100","2","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","2","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","0.71073","MoKα","","0.0488","0.0398","","","0.097","0.1012","","","","","","1.02","","","","has coordinates","281556","2023-03-04","18:38:51","" "7159133","11.9019","0.0002","7.0079","0.0001","17.7102","0.0003","90","","102.749","0.002","90","","1440.74","0.04","102","5","102","5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","1","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","1.54184","CuKα","","0.0873","0.0727","","","0.227","0.2859","","","","","","1.306","","","","has coordinates","298703","2025-04-03","05:34:21","" "7159134","8.2032","0.0003","9.4524","0.0004","11.3516","0.0005","70.439","0.004","69.026","0.004","81.96","0.003","774.25","0.06","297.97","0.1","297.97","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C34 H48 O8 -","2","1","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","1.54184","CuKα","","0.0419","0.0397","","","0.0999","0.1014","","","","","","1.055","","","","has coordinates","281556","2023-03-04","18:38:51","" "7159135","14.2304","0.0003","8.42504","0.00017","26.0136","0.0005","90","","104.012","0.002","90","","3026.01","0.11","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 O4 -","- C17 H23 O4 -","- C136 H184 O32 -","8","2","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","1.54184","CuKα","","0.1193","0.087","","","0.2097","0.2222","","","","","","1.256","","","","has coordinates","298328","2025-03-07","16:31:40","" "7159136","5.9066","0.0005","11.7075","0.0007","17.8583","0.0017","90","","94.904","0.008","90","","1230.41","0.17","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C52 H80 O12 -","4","1","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","0.71073","MoKα","","0.0723","0.0498","","","0.132","0.1439","","","","","","1.084","","","","has coordinates","281556","2023-03-04","18:38:51","" "7159137","11.4095","0.0005","11.5799","0.0005","11.8088","0.0005","103.504","0.004","93.744","0.004","100.253","0.004","1483.49","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","2","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","0.71073","MoKα","","0.0463","0.0395","","","0.1046","0.1079","","","","","","1.088","","","","has coordinates","296876","2024-12-16","17:34:44","" "7159138","9.424","0.004","9.886","0.004","10.482","0.004","69.255","0.012","76.26","0.014","89.585","0.014","883.9","0.6","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N O3 S -","- C20 H19 N O3 S -","- C40 H38 N2 O6 S2 -","2","1","","Zheng, Jing; Gu, Hong; Chen, Qinfang; Yang, Weiran","Access to thiazoline and spiro[indoline-3,3'-thiophene] scaffolds via a formal [3 + 2] annulation reaction of crotonate-derived sulfur ylides and β-ketothioamides.","Organic & biomolecular chemistry","2023","21","10","2069","2080","10.1039/d3ob00087g","","","0.71073","MoKα","","0.0626","0.054","","","0.1469","0.1548","","","","","","1.031","","","","has coordinates","283432","2023-05-05","03:10:03","" "7159139","26.464","0.011","9.374","0.004","19.7","0.01","90","","130.263","0.013","90","","3729","3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N2 O3 S -","- C21 H20 N2 O3 S -","- C168 H160 N16 O24 S8 -","8","1","","Zheng, Jing; Gu, Hong; Chen, Qinfang; Yang, Weiran","Access to thiazoline and spiro[indoline-3,3'-thiophene] scaffolds via a formal [3 + 2] annulation reaction of crotonate-derived sulfur ylides and β-ketothioamides.","Organic & biomolecular chemistry","2023","21","10","2069","2080","10.1039/d3ob00087g","","","0.71073","MoKα","","0.0939","0.0728","","","0.1944","0.2074","","","","","","1.032","","","","has coordinates,has disorder","283432","2023-05-05","03:10:03","" "7159140","7.6322","0.0005","14.823","0.0011","15.0281","0.0012","83.056","0.007","82.898","0.006","89.355","0.006","1674.7","0.2","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N S2 -","- C21 H17 N S2 -","- C84 H68 N4 S8 -","4","2","","Chen, Shanping; Li, Zhuoqin; Hu, Kai; Feng, Wei; Mao, Guojiang; Xiao, Fuhong; Deng, Guo-Jun","Three-component selective synthesis of phenothiazines and bis-phenothiazines under metal-free conditions.","Organic & biomolecular chemistry","2023","21","9","1920","1926","10.1039/d3ob00055a","","x-ray","0.71073","MoKα","","0.0819","0.0687","","","0.1862","0.1993","","","","","","1.058","","","","has coordinates","281599","2023-03-04","18:45:25","" "7159141","6.7853","0.0001","9.8587","0.0001","28.5856","0.0002","90","","90","","90","","1912.21","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N O3 -","- C21 H31 N O3 -","- C84 H124 N4 O12 -","4","1","","Tao, Qiaoqiao; Sang, Yining; Han, Tao; Zhou, Hongling; Zhang, Peng; Cai, Xiaofeng","20-nor-Isopimarane and isopimarane diterpenoids produced by Aspergillus sp. WT03.","Organic & biomolecular chemistry","2023","21","9","1895","1902","10.1039/d3ob00005b","","x-ray","1.54184","CuKα","","0.0328","0.0317","","","0.0803","0.0817","","","","","","1.064","","","","has coordinates","281597","2023-03-04","18:45:05","" "7159142","7.4277","0.0001","10.9119","0.0001","20.6052","0.0002","90","","90","","90","","1670.06","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Tao, Qiaoqiao; Sang, Yining; Han, Tao; Zhou, Hongling; Zhang, Peng; Cai, Xiaofeng","20-nor-Isopimarane and isopimarane diterpenoids produced by Aspergillus sp. WT03.","Organic & biomolecular chemistry","2023","21","9","1895","1902","10.1039/d3ob00005b","","x-ray","1.54184","CuKα","","0.0304","0.0301","","","0.0824","0.0826","","","","","","1.065","","","","has coordinates","281597","2023-03-04","18:45:05","" "7159143","6.48213","0.00005","15.3945","0.00009","17.15474","0.00011","90","","90","","90","","1711.86","0.02","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Tao, Qiaoqiao; Sang, Yining; Han, Tao; Zhou, Hongling; Zhang, Peng; Cai, Xiaofeng","20-nor-Isopimarane and isopimarane diterpenoids produced by Aspergillus sp. WT03.","Organic & biomolecular chemistry","2023","21","9","1895","1902","10.1039/d3ob00005b","","x-ray","1.54184","CuKα","","0.029","0.0284","","","0.0762","0.0767","","","","","","1.043","","","","has coordinates","281597","2023-03-04","18:45:05","" "7159144","7.8043","0.0001","7.9255","0.0001","14.7343","0.0001","74.454","0.001","77.638","0.001","88.287","0.001","857.296","0.017","100.55","0.1","100.55","0.1","","","","","","","","4","P -1","-P 1","2","4B","","","- C22 H18 F2 O3 -","- C22 H18 F2 O3 -","- C44 H36 F4 O6 -","2","1","","Di Filippo, Mara; Baumann, Marcus","Carbene-controlled regioselectivity in photochemical cascades.","Organic & biomolecular chemistry","2023","21","14","2930","2934","10.1039/d3ob00122a","","x-ray","1.54184","CuKα","","0.0403","0.0359","","","0.0888","0.0923","","","","","","1.069","","","","has coordinates","283457","2023-05-05","03:18:42","" "7159145","8.6257","0.0003","10.2667","0.0003","10.6007","0.0003","86.328","0.002","76.801","0.003","87.255","0.003","911.56","0.05","103","2","103","2","","","","","","","","4","P -1","-P 1","2","4J","","","- C23 H21 F O4 -","- C23 H21 F O4 -","- C46 H42 F2 O8 -","2","1","","Di Filippo, Mara; Baumann, Marcus","Carbene-controlled regioselectivity in photochemical cascades.","Organic & biomolecular chemistry","2023","21","14","2930","2934","10.1039/d3ob00122a","","x-ray","1.54184","CuKα","","0.0486","0.0366","","","0.0917","0.0998","","","","","","1.035","","","","has coordinates","283457","2023-05-05","03:18:52","" "7159146","9.1455","0.0001","9.4692","0.0001","11.2256","0.0001","102.202","0.001","91.572","0.001","100.076","0.001","933.428","0.017","103.8","0.3","103.8","0.3","","","","","","","","3","P -1","-P 1","2","4K","","","- C23 H24 O5 -","- C23 H24 O5 -","- C46 H48 O10 -","2","1","","Di Filippo, Mara; Baumann, Marcus","Carbene-controlled regioselectivity in photochemical cascades.","Organic & biomolecular chemistry","2023","21","14","2930","2934","10.1039/d3ob00122a","","x-ray","1.54184","CuKα","","0.0376","0.0346","","","0.0947","0.0974","","","","","","1.064","","","","has coordinates","283457","2023-05-05","03:18:55","" "7159147","17.3929","0.0002","15.7397","0.0001","21.0528","0.0002","90","","112.606","0.001","90","","5320.59","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N5 O2 S -","- C18 H17 N5 O2 S -","- C216 H204 N60 O24 S12 -","12","3","","Dey, Sovan; Das, Arindam; Yadav, Ram Naresh; Boruah, Palash Jyoti; Bakli, Prerana; Baishya, Tania; Sarkar, Koushik; Barman, Anup; Sahu, Ranabir; Maji, Biplab; Paul, Amit Kumar; Hossain, Md Firoj","Visiblelight-induced ternary electron donor-acceptor complex enabled synthesis of 2-(2-hydrazinyl) thiazole derivatives and the assessment of their antioxidant and antidiabetic therapeutic potential.","Organic & biomolecular chemistry","2023","21","8","1771","1779","10.1039/d2ob02308c","","x-ray","1.54184","CuKα","","0.0413","0.0355","","","0.1009","0.1053","","","","","","1.053","","","","has coordinates","292638","2024-06-28","09:33:36","" "7159148","9.6178","0.0001","12.1204","0.0001","14.8624","0.0001","90","","99.539","0.001","90","","1708.58","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Br2 N3 S -","- C17 H13 Br2 N3 S -","- C68 H52 Br8 N12 S4 -","4","1","","Dey, Sovan; Das, Arindam; Yadav, Ram Naresh; Boruah, Palash Jyoti; Bakli, Prerana; Baishya, Tania; Sarkar, Koushik; Barman, Anup; Sahu, Ranabir; Maji, Biplab; Paul, Amit Kumar; Hossain, Md Firoj","Visiblelight-induced ternary electron donor-acceptor complex enabled synthesis of 2-(2-hydrazinyl) thiazole derivatives and the assessment of their antioxidant and antidiabetic therapeutic potential.","Organic & biomolecular chemistry","2023","21","8","1771","1779","10.1039/d2ob02308c","","x-ray","1.54184","CuKα","","0.0355","0.033","","","0.0849","0.0863","","","","","","1.05","","","","has coordinates","281554","2023-03-04","18:38:33","" "7159149","18.341","0.0002","7.2916","0.0001","25.2961","0.0002","90","","106.696","0.001","90","","3240.36","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-4-(4-chlorophenyl)-2-(2-nitrobenzylidene)hydrazinyl)thiazole","","- C16 H11 Cl N4 O2 S -","- C16 H11 Cl N4 O2 S -","- C128 H88 Cl8 N32 O16 S8 -","8","2","","Dey, Sovan; Das, Arindam; Yadav, Ram Naresh; Boruah, Palash Jyoti; Bakli, Prerana; Baishya, Tania; Sarkar, Koushik; Barman, Anup; Sahu, Ranabir; Maji, Biplab; Paul, Amit Kumar; Hossain, Md Firoj","Visiblelight-induced ternary electron donor-acceptor complex enabled synthesis of 2-(2-hydrazinyl) thiazole derivatives and the assessment of their antioxidant and antidiabetic therapeutic potential.","Organic & biomolecular chemistry","2023","21","8","1771","1779","10.1039/d2ob02308c","","x-ray","1.54184","CuKα","","0.0369","0.0323","","","0.0892","0.0924","","","","","","1.05","","","","has coordinates","281554","2023-03-04","18:38:33","" "7159150","5.107","0.004","24.81","0.02","9.865","0.008","90","","92.955","0.017","90","","1248.3","1.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H11 N O3 S -","- C13 H11 N O3 S -","- C52 H44 N4 O12 S4 -","4","2","","Aich, Shobhon; Nandi, Rajesh; Chatterjee, Nirbhik; Gayen, Krishnanka S.; Pal, Subhasis; Maiti, Dilip K.","Catalytic I2-moist DMSO-mediated synthesis of valuable α-amidohydroxyketones and unsymmetrical gem-bisamides from benzimidates.","Organic & biomolecular chemistry","2023","21","12","2524","2530","10.1039/d3ob00165b","","","0.71073","MoKα","","0.1834","0.0829","","","0.1819","0.2395","","","","","","1.028","","","","has coordinates","283480","2023-05-05","03:24:52","" "7159151","8.2419","0.0015","10.5399","0.0019","11.222","0.002","99.154","0.003","93.011","0.003","102.359","0.003","936.3","0.3","296","1","296","1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N O -","- C25 H21 N O -","- C50 H42 N2 O2 -","2","1","","Ma, Jin-Tian; Chen, Ting; Chen, Xiang-Long; Zhou, You; Yu, Zhi-Cheng; Zhuang, Shi-Yi; Wu, Yan-Dong; Xiang, Jia-Chen; Wu, An-Xin","Aniline assisted dimerization of phenylalanines: convenient synthesis of 2-aroyl-3-arylquinoline in an I2-DMSO system.","Organic & biomolecular chemistry","2023","21","10","2091","2095","10.1039/d2ob02283d","","","0.71073","MoKα","","0.072","0.0567","","","0.1652","0.187","","","","","","1.04","","","","has coordinates","283435","2023-05-05","03:10:28","" "7159152","21.0341","0.0005","12.7886","0.0002","26.3878","0.0006","90","","109.626","0.003","90","","6685.9","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36.5 H31.5 Cl1.5 N O5 -","- C36.5 H31.5 Cl1.5 N O5 -","- C292 H252 Cl12 N8 O40 -","8","2","","Laha, Banamali; Suresh, Alati; Namboothiri, Irishi N. N.","Regio- and stereoselective synthesis of functionalized tetrahydro-benzochromenes and hexahydrochromenochromenones via [4 + 2] annulation of curcumins with nitrochromenes.","Organic & biomolecular chemistry","2023","21","9","1872","1877","10.1039/d2ob02211g","","x-ray","0.71073","MoKα","","0.0865","0.071","","","0.2077","0.2252","","","","","","1.023","","","","has coordinates","296876","2024-12-16","17:34:44","" "7159153","10.6287","0.0009","11.9136","0.0007","12.2552","0.0009","90","","113.667","0.01","90","","1421.3","0.2","200","16","200","16","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H26 Br N O5 -","- C34 H26 Br N O5 -","- C68 H52 Br2 N2 O10 -","2","1","","Laha, Banamali; Suresh, Alati; Namboothiri, Irishi N. N.","Regio- and stereoselective synthesis of functionalized tetrahydro-benzochromenes and hexahydrochromenochromenones via [4 + 2] annulation of curcumins with nitrochromenes.","Organic & biomolecular chemistry","2023","21","9","1872","1877","10.1039/d2ob02211g","","x-ray","0.71073","MoKα","","0.1056","0.0474","","","0.0706","0.0886","","","","","","1.002","","","","has coordinates","281596","2023-03-04","18:44:57","" "7159154","8.5674","0.0006","9.4995","0.0007","9.95","0.0007","85.1","0.006","81.305","0.006","68.735","0.007","745.57","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C38 H28 O8 -","2","1","","Prakash, Meher; Samanta, Sampak","Base-promoted cyclization of ortho-hydroxyacetophenones with in situ generated cyclopropenes: diastereoselective access to spirobenzo[b]oxepines and related precursors.","Organic & biomolecular chemistry","2023","21","9","2001","2014","10.1039/d3ob00077j","","x-ray","0.71073","MoKα","","0.0719","0.0575","","","0.1447","0.1533","","","","","","1.0415","","","","has coordinates","281598","2023-03-04","18:45:19","" "7159155","11.8421","0.0003","14.4124","0.0005","20.4372","0.0007","90","","101.814","0.003","90","","3414.19","0.19","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 O3 -","- C22 H18 O3 -","- C176 H144 O24 -","8","1","","Prakash, Meher; Samanta, Sampak","Base-promoted cyclization of ortho-hydroxyacetophenones with in situ generated cyclopropenes: diastereoselective access to spirobenzo[b]oxepines and related precursors.","Organic & biomolecular chemistry","2023","21","9","2001","2014","10.1039/d3ob00077j","","x-ray","1.54184","CuKα","","0.0876","0.069","","","0.1824","0.2176","","","","","","1.0358","","","","has coordinates","281598","2023-03-04","18:45:19","" "7159156","9.1585","0.0003","10.7347","0.0004","11.6344","0.0005","93.7241","0.0017","98.7149","0.0018","99.1029","0.0017","1111.73","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O2 -","- C29 H22 N2 O2 -","- C58 H44 N4 O4 -","2","1","","Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.","Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp2)-H activation of amides with unsymmetrical 1,3-diynes.","Organic & biomolecular chemistry","2023","21","9","1942","1951","10.1039/d2ob02193e","","","0.71073","MoKα","","0.1127","0.0654","","","0.1776","0.2109","","","","","","1.057","","","","has coordinates","281595","2023-03-04","18:44:48","" "7159157","18.7888","0.0012","10.0222","0.0004","12.1293","0.0008","90","","90","","90","","2284","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H22 N2 O3 -","- C29 H22 N2 O3 -","- C116 H88 N8 O12 -","4","1","","Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.","Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp2)-H activation of amides with unsymmetrical 1,3-diynes.","Organic & biomolecular chemistry","2023","21","9","1942","1951","10.1039/d2ob02193e","","","0.71073","MoKα","","0.07","0.0541","","","0.1317","0.1438","","","","","","1.033","","","","has coordinates","281595","2023-03-04","18:44:49","" "7159158","11.3549","0.0003","10.5712","0.0004","18.7259","0.0006","90","","93.0039","0.0014","90","","2244.67","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Br N2 O2 -","- C28 H19 Br N2 O2 -","- C112 H76 Br4 N8 O8 -","4","1","","Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.","Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp2)-H activation of amides with unsymmetrical 1,3-diynes.","Organic & biomolecular chemistry","2023","21","9","1942","1951","10.1039/d2ob02193e","","","0.71073","MoKα","","0.0487","0.035","","","0.0812","0.0879","","","","","","1.026","","","","has coordinates","281595","2023-03-04","18:44:49","" "7159159","8.783","0.004","12.932","0.005","20.255","0.009","90","","90","","90","","2300.6","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 F N O2 -","- C30 H22 F N O2 -","- C120 H88 F4 N4 O8 -","4","1","","Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.","Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp2)-H activation of amides with unsymmetrical 1,3-diynes.","Organic & biomolecular chemistry","2023","21","9","1942","1951","10.1039/d2ob02193e","","","0.71073","MoKα","","0.1638","0.0669","","","0.1538","0.1909","","","","","","0.824","","","","has coordinates","281595","2023-03-04","18:44:49","" "7159160","7.0317","0.0004","18.8318","0.0012","8.3435","0.0006","90","","99.423","0.002","90","","1089.93","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C56 H40 N4 O4 -","2","1","","Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.","Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp2)-H activation of amides with unsymmetrical 1,3-diynes.","Organic & biomolecular chemistry","2023","21","9","1942","1951","10.1039/d2ob02193e","","","0.71073","MoKα","","0.1154","0.051","","","0.1175","0.1502","","","","","","0.968","","","","has coordinates","281595","2023-03-04","18:44:49","" "7159161","12.6907","0.0007","16.3431","0.0009","13.3615","0.0009","90","","118.292","0.002","90","","2440.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N2 O3 -","- C30 H24 N2 O3 -","- C120 H96 N8 O12 -","4","1","","Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.","Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp2)-H activation of amides with unsymmetrical 1,3-diynes.","Organic & biomolecular chemistry","2023","21","9","1942","1951","10.1039/d2ob02193e","","","0.71073","MoKα","","0.0805","0.0441","","","0.0994","0.121","","","","","","1.006","","","","has coordinates","281595","2023-03-04","18:44:49","" "7159162","8.3089","0.0004","16.9378","0.001","22.9234","0.0013","90","","90","","90","","3226.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","MZ-11","","","- C32 H43 N5 O4 Si -","- C32 H43 N5 O4 Si -","- C128 H172 N20 O16 Si4 -","4","1","","Bege, Miklós; Herczeg, Mihály; Bereczki, Ilona; Debreczeni, Nóra; Bényei, Attila; Herczegh, Pál; Borbás, Anikó","Triaza-tricyclanos - synthesis of a new class of tricyclic nucleoside analogues by stereoselective cascade cyclocondensation.","Organic & biomolecular chemistry","2023","21","10","2213","2219","10.1039/d3ob00154g","","","0.71073","MoKα","","0.1274","0.1001","","","0.1894","0.2021","","","","","","1.455","","","","has coordinates","283434","2023-05-05","03:10:21","" "7159163","9.2221","0.0005","9.3018","0.0006","13.1569","0.0008","72.678","0.003","89.071","0.003","76.638","0.003","1046.59","0.11","150","2","150","2","","","","","","","","5","P 1","P 1","1","Borbasa 725","","","- C46 H45 Cl2 N9 O2 -","- C46 H45 Cl2 N9 O2 -","- C46 H45 Cl2 N9 O2 -","1","1","","Bege, Miklós; Herczeg, Mihály; Bereczki, Ilona; Debreczeni, Nóra; Bényei, Attila; Herczegh, Pál; Borbás, Anikó","Triaza-tricyclanos - synthesis of a new class of tricyclic nucleoside analogues by stereoselective cascade cyclocondensation.","Organic & biomolecular chemistry","2023","21","10","2213","2219","10.1039/d3ob00154g","","x-ray","0.71073","MoKα","","0.0895","0.0622","","","0.159","0.1868","","","","","","1.042","","","","has coordinates","283434","2023-05-05","03:10:21","" "7159164","7.2246","0.0003","14.0455","0.0007","24.2928","0.0011","90","","90","","90","","2465.1","0.2","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Borbasa ERJ750","","","- C27 H30 N8 O2 -","- C27 H30 N8 O2 -","- C108 H120 N32 O8 -","4","1","","Bege, Miklós; Herczeg, Mihály; Bereczki, Ilona; Debreczeni, Nóra; Bényei, Attila; Herczegh, Pál; Borbás, Anikó","Triaza-tricyclanos - synthesis of a new class of tricyclic nucleoside analogues by stereoselective cascade cyclocondensation.","Organic & biomolecular chemistry","2023","21","10","2213","2219","10.1039/d3ob00154g","","x-ray","0.71073","MoKα","","0.0539","0.0455","","","0.1206","0.1299","","","","","","1.151","","","","has coordinates","283434","2023-05-05","03:10:21","" "7159165","14.621","0.005","7.59","0.002","25.12","0.007","90","","99.705","0.01","90","","2747.8","1.4","294","2","294","2","","","","","","","","4","P 1 2 1","P 2y","3","ERJ-724","","","- C27 H31 N5 O4 -","- C27 H31 N5 O4 -","- C108 H124 N20 O16 -","4","2","","Bege, Miklós; Herczeg, Mihály; Bereczki, Ilona; Debreczeni, Nóra; Bényei, Attila; Herczegh, Pál; Borbás, Anikó","Triaza-tricyclanos - synthesis of a new class of tricyclic nucleoside analogues by stereoselective cascade cyclocondensation.","Organic & biomolecular chemistry","2023","21","10","2213","2219","10.1039/d3ob00154g","","x-ray","0.71073","MoKα","","0.1448","0.0804","","","0.1737","0.2046","","","","","","1.088","","","","has coordinates","283434","2023-05-05","03:10:21","" "7159166","8.3506","0.0002","11.0548","0.0003","35.8931","0.0009","90","","90","","90","","3313.44","0.15","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tert-butyl (3R,5S)-3-(2-(4-chlorophenyl)-2-oxoethyl)-9-oxo-6,8-diphenyl-1-oxa-4,7,8-triazaspiro[4.4]non-6-ene-4-carboxylate","","- C30 H28 Cl N3 O5 -","- C30 H28 Cl N3 O5 -","- C120 H112 Cl4 N12 O20 -","4","1","","Gil-Ordóñez, Marta; Martín, Laura; Maestro, Alicia; Andrés, José M","Organocatalytic asymmetric synthesis of oxazolidino spiropyrazolinones via N,O-acetalization/aza Michael addition domino reaction between N-Boc pyrazolinone ketimines and γ-hydroxyenones.","Organic & biomolecular chemistry","2023","21","11","2361","2369","10.1039/d2ob02290g","","x-ray","1.54184","CuKα","","0.0599","0.0513","","","0.1406","0.156","","","","","","1.102","","","","has coordinates","283478","2023-05-05","03:24:28","" "7159167","9.96","0.002","17.857","0.004","21.419","0.004","90","","90","","90","","3809.5","1.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H41 N3 O6 S -","- C41 H41 N3 O6 S -","- C164 H164 N12 O24 S4 -","4","1","","Asmari Bardazard, Kamal; Shahrestani, Naeimeh; Zamani, Amirhosein; Eskandari, Mehdi; Jadidi, Khosrow; Hamzehloueian, Mahshid; Notash, Behrouz","Regioselective synthesis of enantiopure 1,2- and 1,3-dispirooxindoles along with a DFT study.","Organic & biomolecular chemistry","2023","21","10","2143","2161","10.1039/d2ob02311c","","","0.71073","MoKα","","0.2341","0.0994","","","0.2476","0.2975","","","","","","0.857","","","","has coordinates","283433","2023-05-05","03:10:12","" "7159168","10.491","0.002","11.952","0.002","29.973","0.006","90","","90","","90","","3758.3","1.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H43 N3 O5 S -","- C44 H43 N3 O5 S -","- C176 H172 N12 O20 S4 -","4","1","","Asmari Bardazard, Kamal; Shahrestani, Naeimeh; Zamani, Amirhosein; Eskandari, Mehdi; Jadidi, Khosrow; Hamzehloueian, Mahshid; Notash, Behrouz","Regioselective synthesis of enantiopure 1,2- and 1,3-dispirooxindoles along with a DFT study.","Organic & biomolecular chemistry","2023","21","10","2143","2161","10.1039/d2ob02311c","","","0.71073","MoKα","","0.1096","0.0767","","","0.1918","0.2294","","","","","","1.097","","","","has coordinates","283433","2023-05-05","03:10:12","" "7159169","7.8568","0.0016","10.363","0.002","30.033","0.006","90","","90","","90","","2445.3","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O5 -","- C29 H24 N2 O5 -","- C116 H96 N8 O20 -","4","1","","Asmari Bardazard, Kamal; Shahrestani, Naeimeh; Zamani, Amirhosein; Eskandari, Mehdi; Jadidi, Khosrow; Hamzehloueian, Mahshid; Notash, Behrouz","Regioselective synthesis of enantiopure 1,2- and 1,3-dispirooxindoles along with a DFT study.","Organic & biomolecular chemistry","2023","21","10","2143","2161","10.1039/d2ob02311c","","","0.71073","MoKα","","0.1933","0.0761","","","0.1086","0.1365","","","","","","0.849","","","","has coordinates","283433","2023-05-05","03:10:12","" "7159170","9.4049","0.0009","13.3896","0.0012","12.7634","0.0013","90","","91.507","0.004","90","","1606.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Halnor, Swapnil V.; Dhote, Pawan S.; Ramana, Chepuri V.","Construction of the quinobenzoxazine core via gold-catalyzed dual annulation of azide-tethered alkynones with anthranils.","Organic & biomolecular chemistry","2023","21","10","2127","2137","10.1039/d3ob00098b","","","0.71073","MoKα","","0.0464","0.043","","","0.1175","0.1209","","","","","","1.057","","","","has coordinates","283431","2023-05-05","03:09:56","" "7159171","6.5182","0.0002","12.3029","0.0005","14.3881","0.0004","90","","90","","90","","1153.82","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-4-isopropyl-3-(p-tolyl)oxazolidin-2-one","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Podrezova, Ekaterina V.; Okhina, Alina A.; Rogachev, Artem D.; Baykov, Sergey V.; Kirschning, Andreas; Yusubov, Mekhman S.; Soldatova, Natalia S.; Postnikov, Pavel S.","Ligand-free Ullmann-type arylation of oxazolidinones by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","9","1952","1957","10.1039/d2ob02122f","","x-ray","0.71073","MoKα","","0.0403","0.0366","","","0.085","0.0879","","","","","","1.048","","","","has coordinates","281600","2023-03-04","18:45:32","" "7159172","6.2495","0.0002","12.573","0.0003","15.1106","0.0005","90","","90","","90","","1187.31","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-4-(tert-butyl)-3-phenyloxazolidin-2-one","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Podrezova, Ekaterina V.; Okhina, Alina A.; Rogachev, Artem D.; Baykov, Sergey V.; Kirschning, Andreas; Yusubov, Mekhman S.; Soldatova, Natalia S.; Postnikov, Pavel S.","Ligand-free Ullmann-type arylation of oxazolidinones by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","9","1952","1957","10.1039/d2ob02122f","","x-ray","1.54184","CuKα","","0.0468","0.0405","","","0.0944","0.0969","","","","","","1.082","","","","has coordinates","281600","2023-03-04","18:45:32","" "7159173","5.5304","0.0001","8.5314","0.0002","10.1412","0.0002","90","","93.371","0.002","90","","477.655","0.017","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-3-(4-chlorophenyl)-4-methyloxazolidin-2-one","","- C10 H10 Cl N O2 -","- C10 H10 Cl N O2 -","- C20 H20 Cl2 N2 O4 -","2","1","","Podrezova, Ekaterina V.; Okhina, Alina A.; Rogachev, Artem D.; Baykov, Sergey V.; Kirschning, Andreas; Yusubov, Mekhman S.; Soldatova, Natalia S.; Postnikov, Pavel S.","Ligand-free Ullmann-type arylation of oxazolidinones by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","9","1952","1957","10.1039/d2ob02122f","","x-ray","1.54184","CuKα","","0.0199","0.0197","","","0.0521","0.0523","","","","","","1.054","","","","has coordinates","281600","2023-03-04","18:45:32","" "7159174","9.24","0.0001","15.0951","0.0002","16.2876","0.0002","68.441","0.001","87.775","0.001","85.825","0.001","2107.05","0.05","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 Cl10 N3 O P Pd -","- C39 H32 Cl10 N3 O P Pd -","- C78 H64 Cl20 N6 O2 P2 Pd2 -","2","1","","Bulygina, Ludmila A.; Khrushcheva, Natalya S.; Nelyubina, Yulia V.; Dorovatovskii, Pavel; Strelkova, Tatiana V.; Alexeev, Michael S.; Mandegani, Zeinab; Nabavizadeh, S. Masoud; Kuznetsov, Nikolai Yu","Bilateral metalloheterocyclic systems based on palladacycle and piperidine-2,4-dione pharmacophores.","Organic & biomolecular chemistry","2023","21","11","2337","2354","10.1039/d3ob00022b","","","0.71073","MoKα","","0.0367","0.0296","","","0.0614","0.0643","","","","","","1.016","","","","has coordinates,has disorder","283472","2023-05-05","03:22:57","" "7159175","10.923","0.002","11.87","0.002","15.665","0.003","96.22","0.03","101.71","0.03","113.13","0.03","1788.6","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H39 Cl N3 O3 P Pd -","- C42 H39 Cl N3 O3 P Pd -","- C84 H78 Cl2 N6 O6 P2 Pd2 -","2","1","","Bulygina, Ludmila A.; Khrushcheva, Natalya S.; Nelyubina, Yulia V.; Dorovatovskii, Pavel; Strelkova, Tatiana V.; Alexeev, Michael S.; Mandegani, Zeinab; Nabavizadeh, S. Masoud; Kuznetsov, Nikolai Yu","Bilateral metalloheterocyclic systems based on palladacycle and piperidine-2,4-dione pharmacophores.","Organic & biomolecular chemistry","2023","21","11","2337","2354","10.1039/d3ob00022b","","","0.745","synchrotron","","0.045","0.0337","","","0.0791","0.0849","","","","","","1.037","","","","has coordinates","283472","2023-05-05","03:22:57","" "7159176","35.7466","0.0013","9.275","0.0003","26.6696","0.001","90","","127.87","0.001","90","","6980.2","0.4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H29 Cl N3 O P Pd -","- C37 H29 Cl N3 O P Pd -","- C296 H232 Cl8 N24 O8 P8 Pd8 -","8","1","","Bulygina, Ludmila A.; Khrushcheva, Natalya S.; Nelyubina, Yulia V.; Dorovatovskii, Pavel; Strelkova, Tatiana V.; Alexeev, Michael S.; Mandegani, Zeinab; Nabavizadeh, S. Masoud; Kuznetsov, Nikolai Yu","Bilateral metalloheterocyclic systems based on palladacycle and piperidine-2,4-dione pharmacophores.","Organic & biomolecular chemistry","2023","21","11","2337","2354","10.1039/d3ob00022b","","","0.71073","MoKα","","0.0387","0.0364","","","0.0878","0.0889","","","","","","1.193","","","","has coordinates,has disorder","283472","2023-05-05","03:22:57","" "7159177","9.7863","0.0009","10.1591","0.0009","12.62","0.0008","83.082","0.006","68.299","0.007","63.337","0.009","1040.23","0.18","249.97","0.1","249.97","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N2 O3 S -","- C23 H20 N2 O3 S -","- C46 H40 N4 O6 S2 -","2","1","","Wang, Ting; Wan, Yuyan; Xu, Mingyao; Wang, Yi; Hong, Xu-Jia; Gao, Hui; Zhou, Zhi; Yi, Wei; Zeng, Zhongyi","Regio- and stereospecific cis-hydrophenoxylation of ynamides with acidic phenols.","Organic & biomolecular chemistry","2023","21","15","3073","3078","10.1039/d3ob00082f","","x-ray","0.71073","MoKα","","0.0574","0.0428","","","0.1023","0.1109","","","","","","1.029","","","","has coordinates","283465","2023-05-05","03:21:05","" "7159178","6.3673","0.0013","16.941","0.003","19.629","0.004","90","","90","","90","","2117.3","0.7","145","2","145","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 F N O2 -","- C25 H30 F N O2 -","- C100 H120 F4 N4 O8 -","4","1","","Manna, Utsab; Roy, Rajdip; Dutta, Abhishek; Roy, Nabanita","Phenylalanine conjugated supramolecular hydrogels developed from the mafenide and flurbiprofen multidrug for biological applications.","Organic & biomolecular chemistry","2023","21","11","2375","2389","10.1039/d2ob02300h","","","0.71073","MoKα","","0.2053","0.1653","","","0.3936","0.4309","","","","","","1.198","","","","has coordinates,has disorder","283479","2023-05-05","03:24:40","" "7159179","5.588","0.009","8.349","0.013","17.87","0.03","77.93","0.04","87.12","0.04","85.92","0.04","813","2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 O5 -","- C20 H16 O5 -","- C40 H32 O10 -","2","1","","Chen, Liying; Di, Huiming; Liu, Jian; Zhang, Jinfeng; Wang, Bingfu; Jin, Hui; Zhang, Lixin","Access to functionalized 2-pyrones through cascade reactions of α-halothioesters involving DBU-derived ammonium ylides.","Organic & biomolecular chemistry","2023","21","18","3756","3760","10.1039/d3ob00042g","","","0.71073","MoKα","","0.1139","0.0587","","","0.1303","0.1632","","","","","","1.047","","","","has coordinates","284326","2023-06-05","04:56:38","" "7159180","23.313","0.013","7.937","0.004","21.274","0.012","90","","90","","90","","3936","4","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H19 Cl O4 S -","- C20 H19 Cl O4 S -","- C160 H152 Cl8 O32 S8 -","8","2","","Chen, Liying; Di, Huiming; Liu, Jian; Zhang, Jinfeng; Wang, Bingfu; Jin, Hui; Zhang, Lixin","Access to functionalized 2-pyrones through cascade reactions of α-halothioesters involving DBU-derived ammonium ylides.","Organic & biomolecular chemistry","2023","21","18","3756","3760","10.1039/d3ob00042g","","","0.71073","MoKα","","0.273","0.1163","","","0.179","0.2261","","","","","","1.047","","","","has coordinates","284326","2023-06-05","04:56:38","" "7159181","13.57868","0.00007","5.12531","0.00003","17.35284","0.00009","90","","97.9746","0.0005","90","","1195.99","0.011","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","- C54 H66 N6 O10 -","2","1","","Jiang, Yaqin; Chen, Chunmei; Zhu, Hucheng; Li, Qin; Mao, Lina; Liao, Hong; Nan, Yiyang; Wang, Zhiping; Zhou, Hongjian; Zhou, Qun; Zhang, Yonghui","An indole diketopiperazine alkaloid and a bisabolane sesquiterpenoid with unprecedented skeletons from Aspergillus fumigatus.","Organic & biomolecular chemistry","2023","21","10","2236","2242","10.1039/d2ob02220f","","x-ray","1.54184","CuKα","","0.0272","0.0271","","","0.0713","0.0714","","","","","","1.048","","","","has coordinates","283430","2023-05-05","03:09:50","" "7159182","12.28659","0.00003","13.35886","0.00003","16.12094","0.00004","90","","90","","90","","2646.01","0.011","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O7 -","- C28 H38 O7 -","- C112 H152 O28 -","4","1","","Watanabe, Yoshihiro; Takahashi, Shuhei; Ito, Sho; Tokiwa, Toshiyuki; Noguchi, Yoshihiko; Azami, Haruki; Kojima, Hiroki; Higo, Mayuka; Ban, Sayaka; Nagai, Kenichiro; Hirose, Tomoyasu; Sunazuka, Toshiaki; Yaguchi, Takashi; Nonaka, Kenichi; Iwatsuki, Masato","Hakuhybotrol, a polyketide produced by Hypomyces pseudocorticiicola, characterized with the assistance of 3D ED/MicroED.","Organic & biomolecular chemistry","2023","21","11","2320","2330","10.1039/d2ob02286a","","x-ray","1.54184","CuKα","","0.0256","0.0251","","","0.0654","0.0659","","","","","","1.027","","","","has coordinates","283474","2023-05-05","03:23:19","" "7159183","12.69","0.13","13.47","0.13","16.8","0.4","90","","90","","90","","2872","8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O7 -","- C28 H38 O7 -","- C112 H152 O28 -","4","1","","Watanabe, Yoshihiro; Takahashi, Shuhei; Ito, Sho; Tokiwa, Toshiyuki; Noguchi, Yoshihiko; Azami, Haruki; Kojima, Hiroki; Higo, Mayuka; Ban, Sayaka; Nagai, Kenichiro; Hirose, Tomoyasu; Sunazuka, Toshiaki; Yaguchi, Takashi; Nonaka, Kenichi; Iwatsuki, Masato","Hakuhybotrol, a polyketide produced by Hypomyces pseudocorticiicola, characterized with the assistance of 3D ED/MicroED.","Organic & biomolecular chemistry","2023","21","11","2320","2330","10.1039/d2ob02286a","","electron","0.0251","200keVelectrons","","0.1938","0.1349","","","0.3044","0.3289","","","","","","1.612","","","","has coordinates","283474","2023-05-05","03:23:28","" "7159184","9.389","0.0004","11.3607","0.0004","12.5465","0.0005","95.015","0.003","110.78","0.004","99.316","0.003","1219.41","0.09","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 O8 S -","- C27 H26 O8 S -","- C54 H52 O16 S2 -","2","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones via In(OTf)3-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.0596","0.0456","","","0.1194","0.1269","","","","","","1.028","","","","has coordinates","283476","2023-05-05","03:23:58","" "7159185","9.0321","0.0003","11.3249","0.0004","13.401","0.0003","104.302","0.002","90.43","0.002","112.768","0.003","1216.59","0.07","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 O9 S -","- C27 H26 O9 S -","- C54 H52 O18 S2 -","2","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones via In(OTf)3-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.051","0.0442","","","0.1211","0.1256","","","","","","1.054","","","","has coordinates","283476","2023-05-05","03:23:58","" "7159186","7.8698","0.0002","8.091","0.0002","18.4031","0.0004","97.31","0.002","90.418","0.002","109.486","0.003","1094.16","0.05","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 O8 S -","- C26 H22 O8 S -","- C52 H44 O16 S2 -","2","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones via In(OTf)3-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.0457","0.0401","","","0.1012","0.1042","","","","","","1.046","","","","has coordinates","283476","2023-05-05","03:23:58","" "7159187","8.8838","0.0003","10.0122","0.0003","18.2465","0.0007","79.86","0.003","82.812","0.003","68.624","0.003","1484.42","0.09","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 Cl3 O9 S -","- C29 H29 Cl3 O9 S -","- C58 H58 Cl6 O18 S2 -","2","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones via In(OTf)3-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.0505","0.0436","","","0.1204","0.1248","","","","","","1.071","","","","has coordinates","283476","2023-05-05","03:23:58","" "7159188","8.8679","0.0002","19.3858","0.0005","15.9313","0.0003","90","","95.21","0.002","90","","2727.46","0.11","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 O11 S -","- C29 H30 O11 S -","- C116 H120 O44 S4 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones via In(OTf)3-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.053","0.0449","","","0.1152","0.1194","","","","","","1.04","","","","has coordinates","283476","2023-05-05","03:23:58","" "7159189","8.9241","0.0003","19.544","0.0006","14.8371","0.0004","90","","99.093","0.002","90","","2555.26","0.14","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 F O10 S -","- C28 H27 F O10 S -","- C112 H108 F4 O40 S4 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones via In(OTf)3-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.0439","0.0385","","","0.1015","0.1043","","","","","","1.05","","","","has coordinates","283476","2023-05-05","03:23:58","" "7159190","8.4568","0.0002","10.0048","0.0002","18.1713","0.0004","79.068","0.002","81.726","0.002","72.665","0.002","1434.7","0.06","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cl3 F O9 S -","- C28 H26 Cl3 F O9 S -","- C56 H52 Cl6 F2 O18 S2 -","2","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones via In(OTf)3-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.0644","0.0592","","","0.1747","0.1797","","","","","","1.063","","","","has coordinates,has disorder","283476","2023-05-05","03:23:58","" "7159191","8.4581","0.0002","12.4673","0.0003","13.9001","0.0003","114.802","0.002","99.369","0.002","91.662","0.002","1305.05","0.06","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 O8 S -","- C27 H26 O8 S -","- C54 H52 O16 S2 -","2","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones via In(OTf)3-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.049","0.0418","","","0.1173","0.122","","","","","","1.092","","","","has coordinates","283476","2023-05-05","03:23:58","" "7159192","21.9528","0.0008","12.0021","0.0005","12.5898","0.0005","90","","91.55","0.004","90","","3315.9","0.2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 O11 S -","- C34 H40 O11 S -","- C136 H160 O44 S4 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones via In(OTf)3-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.1074","0.0924","","","0.2411","0.2489","","","","","","1.091","","","","has coordinates","283476","2023-05-05","03:23:58","" "7159193","12.3628","0.0008","8.7568","0.0005","17.477","0.0012","90","","109.33","0.007","90","","1785.4","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl N2 O2 -","- C22 H17 Cl N2 O2 -","- C88 H68 Cl4 N8 O8 -","4","1","","Mai, Jiexiong; Huang, Ziwei; Lv, Shaohuan; Chen, Quan; Chen, Rongrong; Xie, Feng; Wang, Jun; Li, Bin","Visible light-induced cascade N-alkylation/amidation reaction of quinazolin-4(3H)-ones and related N-heterocycles.","Organic & biomolecular chemistry","2023","21","11","2423","2428","10.1039/d2ob02226e","","x-ray","0.71073","MoKα","","0.0474","0.0387","","","0.0875","0.093","","","","","","1.101","","","","has coordinates","283477","2023-05-05","03:24:13","" "7159194","7.6268","0.0005","9.3115","0.0007","24.2573","0.0018","90","","90","","90","","1722.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 Br O3 S -","- C19 H13 Br O3 S -","- C76 H52 Br4 O12 S4 -","4","1","","Tamanna, ?; Sharma, Deepak; Chauhan, Pankaj","Asymmetric synthesis of spirocyclic isobenzofuranones via a squaramide-catalysed sulfa-Michael desymmetrisation reaction.","Organic & biomolecular chemistry","2023","21","12","2570","2574","10.1039/d3ob00126a","","","1.54178","CuKα","","0.0261","0.0252","","","0.0632","0.0641","","","","","","1.076","","","","has coordinates","283489","2023-05-05","03:28:46","" "7159195","13.934","0.004","7.1249","0.0019","23.124","0.006","90","","102.776","0.008","90","","2238.9","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 N3 O5 -","- C27 H19 N3 O5 -","- C108 H76 N12 O20 -","4","1","","Ramkumar, Alagumalai; Sreedharan, Ramdas; Rajeshwaran, Purushothaman; Gandhi, Thirumanavelan","Ruthenium(II)-catalyzed oxidative dehydrogenation and hydroarylation of maleimides with phthalazinones - insights into additive-controlled product selectivity.","Organic & biomolecular chemistry","2023","21","13","2695","2699","10.1039/d3ob00297g","","","0.71073","MoKα","","0.0549","0.0459","","","0.1107","0.1178","","","","","","0.943","","","","has coordinates","283447","2023-05-05","03:15:07","" "7159196","10.4045","0.0009","8.869","0.0008","21.6415","0.0017","90","","102.176","0.002","90","","1952.1","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N3 O3 -","- C24 H17 N3 O3 -","- C96 H68 N12 O12 -","4","1","","Ramkumar, Alagumalai; Sreedharan, Ramdas; Rajeshwaran, Purushothaman; Gandhi, Thirumanavelan","Ruthenium(II)-catalyzed oxidative dehydrogenation and hydroarylation of maleimides with phthalazinones - insights into additive-controlled product selectivity.","Organic & biomolecular chemistry","2023","21","13","2695","2699","10.1039/d3ob00297g","","","0.71073","MoKα","","0.1012","0.0501","","","0.1004","0.1224","","","","","","1.047","","","","has coordinates","283447","2023-05-05","03:15:09","" "7159197","10.797","0.0005","11.7144","0.0005","17.2757","0.0007","109.155","0.004","106.362","0.004","90.359","0.004","1968.69","0.16","298.01","0.01","298.01","0.01","","","","","","","","5","P -1","-P 1","2","","","","- C45 H43 F N2 O -","- C45 H42 F N2 O -","- C90 H84 F2 N4 O2 -","2","1","","Singh, Gurdeep; Sharma, Sonam; Pandey, Rajat; Rekha, ?; Vijaya Anand, Ramasamy","Construction of heterocycle-fused tetrahydrocarbazoles through a formal [3 + 3]-annulation of 2-indolylmethanols with para-quinone methides.","Organic & biomolecular chemistry","2023","21","12","2493","2498","10.1039/d3ob00124e","","x-ray","0.71073","MoKα","","0.1393","0.0804","","","0.227","0.2817","","","","","","1.042","","","","has coordinates","283486","2023-05-05","03:28:05","" "7159198","9.2987","0.0004","12.1896","0.0005","17.6436","0.0008","109.223","0.004","90.262","0.004","104.83","0.004","1816.78","0.15","298","0.1","298","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H43 Cl2 N O S -","- C41 H40 N O S -","- C82 H80 N2 O2 S2 -","2","1","","Singh, Gurdeep; Sharma, Sonam; Pandey, Rajat; Rekha, ?; Vijaya Anand, Ramasamy","Construction of heterocycle-fused tetrahydrocarbazoles through a formal [3 + 3]-annulation of 2-indolylmethanols with para-quinone methides.","Organic & biomolecular chemistry","2023","21","12","2493","2498","10.1039/d3ob00124e","","x-ray","0.71073","MoKα","","0.0754","0.0575","","","0.1586","0.1808","","","","","","1.064","","","","has coordinates","283486","2023-05-05","03:28:06","" "7159199","10.9175","0.0003","10.7799","0.0003","29.2158","0.001","90","","91.629","0.003","90","","3437","0.18","298.01","0.01","298.01","0.01","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 N O2 S -","- C41 H40 N O2 S -","- C164 H160 N4 O8 S4 -","4","1","","Singh, Gurdeep; Sharma, Sonam; Pandey, Rajat; Rekha, ?; Vijaya Anand, Ramasamy","Construction of heterocycle-fused tetrahydrocarbazoles through a formal [3 + 3]-annulation of 2-indolylmethanols with para-quinone methides.","Organic & biomolecular chemistry","2023","21","12","2493","2498","10.1039/d3ob00124e","","x-ray","0.71073","MoKα","","0.1093","0.0656","","","0.18","0.2239","","","","","","1.026","","","","has coordinates","283486","2023-05-05","03:28:06","" "7159200","6.3864","0.001","10.5866","0.0017","19.684","0.003","90","","90","","90","","1330.8","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(tert-butyl (S,E)-(6-hydroxy-2-methylhex-4-en-3-yl)carbamate)","(tert-butyl (S,E)-(6-hydroxy-2-methylhex-4-en-3-yl)carbamate)","","- C12 H23 N O3 -","- C12 H23 N O3 -","- C48 H92 N4 O12 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","1.54178","CuKα","","0.0572","0.0416","","","0.0791","0.0868","","","","","","1.062","","","","has coordinates","283485","2023-05-05","03:26:17","" "7159201","11.178","0.007","21.505","0.013","6.138","0.004","90","","90","","90","","1475.5","1.6","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(tert-butyl (S,E)-(1-hydroxy-6-methylhept-2-en-4-yl)carbamate)","(tert-butyl (S,E)-(1-hydroxy-6-methylhept-2-en-4-yl)carbamate)","","- C13 H25 N O3 -","- C13 H25 N O3 -","- C52 H100 N4 O12 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.1257","0.0942","","","0.2125","0.2317","","","","","","1.021","","","","has coordinates","283485","2023-05-05","03:26:27","" "7159202","9.447","0.004","7.16","0.003","36.118","0.016","90","","90","","90","","2443","1.8","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","(ethyl (2E,4E)-6-((2E,4E)-6-((tert-butoxycarbonyl)amino)-6-methylhepta-2,4-dienamido)-6-methylhepta-2,4-dienoate)","(ethyl (2E,4E)-6-((2E,4E)-6-((tert-butoxycarbonyl)amino)-6-methylhepta-2,4-dienamido)-6-methylhepta-2,4-dienoate)","","- C23 H36 N2 O5 -","- C23 H36 N2 O5 -","- C92 H144 N8 O20 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.0956","0.0652","","","0.1504","0.1664","","","","","","1.041","","","","has coordinates","283485","2023-05-05","03:26:38","" "7159203","9.165","0.002","10.586","0.003","13.936","0.003","90.989","0.008","108.378","0.007","91.637","0.008","1282.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(tert-butyl (E)-(5-hydroxy-2-methylpent-3-en-2-yl)carbamate)","(tert-butyl (E)-(5-hydroxy-2-methylpent-3-en-2-yl)carbamate)","","- C11 H21 N O3 -","- C11 H21 N O3 -","- C44 H84 N4 O12 -","4","2","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.1417","0.0941","","","0.1383","0.1561","","","","","","1.152","","","","has coordinates","283485","2023-05-05","03:26:51","" "7159204","10.171","0.004","11.307","0.004","18.203","0.006","83.781","0.008","78.945","0.008","69.533","0.008","1922.9","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(ethyl (S,2E,4E,6E)-8-((tert-butoxycarbonyl)amino)-9-methyldeca-2,4,6-trienoate)","(ethyl (S,2E,4E,6E)-8-((tert-butoxycarbonyl)amino)-9-methyldeca-2,4,6-trienoate)","","- C18 H29 N O4 -","- C18 H29 N O4 -","- C72 H116 N4 O16 -","4","2","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.2085","0.0681","","","0.1411","0.202","","","","","","0.919","","","","has coordinates","283485","2023-05-05","03:26:58","" "7159205","35.93","0.05","5.117","0.008","10.707","0.016","90","","92.39","0.03","90","","1967","5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","(ethyl (S,2E,4E)-6-((tert-butoxycarbonyl)amino)-7-phenylhepta-2,4-dienoate)","(ethyl (S,2E,4E)-6-((tert-butoxycarbonyl)amino)-7-phenylhepta-2,4-dienoate)","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C80 H108 N4 O16 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.0863","0.0522","","","0.1352","0.1641","","","","","","0.679","","","","has coordinates","283485","2023-05-05","03:27:01","" "7159206","6.061","0.002","12.023","0.004","21.699","0.007","90","","90","","90","","1581.2","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(tert-butyl (S,E)-(5-hydroxy-1-phenylpent-3-en-2-yl)carbamate)","(tert-butyl (S,E)-(5-hydroxy-1-phenylpent-3-en-2-yl)carbamate)","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.1372","0.0865","","","0.0657","0.0679","","","","","","1.94","","","","has coordinates","283485","2023-05-05","03:27:01","" "7159207","6.5455","0.0012","9.445","0.002","19.264","0.004","90","","90","","90","","1190.9","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(tert-butyl (S,E)-(5-hydroxypent-3-en-2-yl)carbamate)","(tert-butyl (S,E)-(5-hydroxypent-3-en-2-yl)carbamate)","","- C10 H19 N O3 -","- C10 H19 N O3 -","- C40 H76 N4 O12 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.0412","0.0352","","","0.0781","0.0807","","","","","","0.995","","","","has coordinates","283485","2023-05-05","03:27:03","" "7159208","9.88","0.003","20.895","0.007","18.293","0.006","90","","105.188","0.01","90","","3645","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ethyl (2E,4E,6E)-8-((tert-butoxycarbonyl)amino)-8-methylnona-2,4,6-trienoate)","(ethyl (2E,4E,6E)-8-((tert-butoxycarbonyl)amino)-8-methylnona-2,4,6-trienoate)","","- C17 H27 N O4 -","- C17 H27 N O4 -","- C136 H216 N8 O32 -","8","2","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.14","0.0619","","","0.1811","0.2553","","","","","","0.726","","","","has coordinates","283485","2023-05-05","03:27:06","" "7159209","9.1906","0.0018","18.987","0.004","9.7142","0.0016","90","","100.338","0.006","90","","1667.6","0.6","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","(ethyl (2E,4E)-6-((tert-butoxycarbonyl)amino)-6-methylhepta-2,4-dienoate)","(ethyl (2E,4E)-6-((tert-butoxycarbonyl)amino)-6-methylhepta-2,4-dienoate)","","- C15 H25 N O4 -","- C15 H25 N O4 -","- C60 H100 N4 O16 -","4","2","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.1649","0.0866","","","0.1342","0.1628","","","","","","1.019","","","","has coordinates","283485","2023-05-05","03:27:09","" "7159210","4.2745","0.0002","16.1974","0.0007","23.4885","0.0011","106.784","0.002","92.454","0.002","95.446","0.002","1545.73","0.12","130","","130","","","","","","","","","6","P -1","-P 1","2","","Copper di-[5-(2-methoxyethoxy)methyl)pyridine-2-thiolate-N-oxide]","","- C18 H24 Cu N2 O6 S2 -","- C18 H24 Cu N2 O6 S2 -","- C54 H72 Cu3 N6 O18 S6 -","3","1.5","","Mishra, Atreyee; Djoko, Karrera Y.; Lee, Yi-Hsuan; Lord, Rianne M.; Kaul, Grace; Akhir, Abdul; Saxena, Deepanshi; Chopra, Sidharth; Walton, James W.","Water-soluble copper pyrithione complexes with cytotoxic and antibacterial activity.","Organic & biomolecular chemistry","2023","21","12","2539","2544","10.1039/d2ob01224c","","x-ray","0.71073","MoKα","","0.0557","0.0399","","","0.0694","0.074","","","","","","1.04","","","","has coordinates","283482","2023-05-05","03:25:34","" "7159211","7.0036","0.0014","9.714","0.002","16.46","0.003","80.825","0.009","87.6","0.011","76.487","0.014","1074.9","0.4","296","2","296","2","","","","","","","","3","P 1","P 1","1","glucominiotone A","","","- C18 H22 O10 -","- C18 H22 O10 -","- C36 H44 O20 -","2","2","","Yang, Sui-Qun; Song, Qi; Li, Xiao-Ming; Li, Xin; Li, Hong-Lei; Meng, Ling-Hong; Wang, Bin-Gui","Antimicrobial polyketides and sesquiterpene lactones from the deep-sea cold-seep-derived fungus Talaromyces minioluteus CS-113 triggered by the histone deacetylase inhibitor SAHA.","Organic & biomolecular chemistry","2023","21","12","2575","2585","10.1039/d3ob00058c","","","1.54178","CuKα","","0.0645","0.0586","","","0.1723","0.1817","","","","","","1.024","","","","has coordinates","283481","2023-05-05","03:25:08","" "7159212","6.671","0.0002","16.5087","0.0005","18.4122","0.0005","90","","90","","90","","2027.73","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","glucominiotone B","","","- C19 H22 O9 -","- C19 H22 O9 -","- C76 H88 O36 -","4","1","","Yang, Sui-Qun; Song, Qi; Li, Xiao-Ming; Li, Xin; Li, Hong-Lei; Meng, Ling-Hong; Wang, Bin-Gui","Antimicrobial polyketides and sesquiterpene lactones from the deep-sea cold-seep-derived fungus Talaromyces minioluteus CS-113 triggered by the histone deacetylase inhibitor SAHA.","Organic & biomolecular chemistry","2023","21","12","2575","2585","10.1039/d3ob00058c","","","1.54178","CuKα","","0.0584","0.0557","","","0.1428","0.1449","","","","","","1.073","","","","has coordinates","283481","2023-05-05","03:25:18","" "7159213","10.147","0.0003","12.3817","0.0003","18.7861","0.0005","90","","90","","90","","2360.23","0.11","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","miniluteumide E","1","","- C22 H35 N O8 -","- C22 H35 N O8 -","- C88 H140 N4 O32 -","4","1","","Yang, Sui-Qun; Song, Qi; Li, Xiao-Ming; Li, Xin; Li, Hong-Lei; Meng, Ling-Hong; Wang, Bin-Gui","Antimicrobial polyketides and sesquiterpene lactones from the deep-sea cold-seep-derived fungus Talaromyces minioluteus CS-113 triggered by the histone deacetylase inhibitor SAHA.","Organic & biomolecular chemistry","2023","21","12","2575","2585","10.1039/d3ob00058c","","x-ray","1.54184","CuKα","","0.0497","0.0417","","","0.1004","0.1086","","","","","","1.069","","","","has coordinates","283481","2023-05-05","03:25:19","" "7159214","11.3845","0.0001","16.8992","0.0001","8.1309","0.0001","90","","92.673","0.001","90","","1562.59","0.03","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1","","- C21 H12 F N S -","- C21 H12 F N S -","- C84 H48 F4 N4 S4 -","4","1","","Gao, Yong; Hua, Ruirui; Yin, Hongquan; Chen, Fu-Xue","Synthesis of thiocyanato-containing phenanthrenes and dihydronaphthalenes via Lewis acid-activated tandem electrophilic thiocyanation/carbocyclization of alkynes.","Organic & biomolecular chemistry","2023","21","11","2417","2422","10.1039/d3ob00001j","","x-ray","1.54184","CuKα","","0.0365","0.0346","","","0.093","0.0945","","","","","","1.052","","","","has coordinates","283475","2023-05-05","03:23:41","" "7159215","6.36191","0.00004","11.81085","0.00007","18.04153","0.00008","93.4492","0.0004","95.0225","0.0004","103.052","0.0005","1311.07","0.013","100","0.11","100","0.11","","","","","","","","4","P 1","P 1","1","","","","- C54 H88.25 O9.25 Si2 -","- C54 H88.25 O9.25 Si2 -","- C54 H88.25 O9.25 Si2 -","1","1","","Offei, Samuel D.; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of menarandroside A from dehydroepiandrosterone.","Organic & biomolecular chemistry","2023","21","15","3172","3176","10.1039/d3ob00054k","","x-ray","1.54184","CuKα","","0.0488","0.0476","","","0.1095","0.1105","","","","","","1.029","","","","has coordinates,has disorder","283466","2023-05-05","03:21:25","" "7159216","29.0654","0.0011","6.1584","0.0001","13.8163","0.0005","90","","129.016","0.006","90","","1921.5","0.19","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","","Offei, Samuel D.; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of menarandroside A from dehydroepiandrosterone.","Organic & biomolecular chemistry","2023","21","15","3172","3176","10.1039/d3ob00054k","","x-ray","1.54184","CuKα","","0.0408","0.038","","","0.0973","0.0993","","","","","","1.02","","","","has coordinates","283466","2023-05-05","03:21:27","" "7159217","6.3839","0.0001","11.7026","0.0002","17.9956","0.0002","92.243","0.001","92.111","0.001","102.967","0.002","1307.69","0.04","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C27 H44 O3 Si -","- C27 H44 O3 Si -","- C54 H88 O6 Si2 -","2","2","","Offei, Samuel D.; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of menarandroside A from dehydroepiandrosterone.","Organic & biomolecular chemistry","2023","21","15","3172","3176","10.1039/d3ob00054k","","x-ray","1.54184","CuKα","","0.0623","0.0601","","","0.1445","0.1457","","","","","","1.079","","","","has coordinates","283466","2023-05-05","03:21:37","" "7159218","7.5237","0.0001","22.9939","0.0002","9.7103","0.0001","90","","90.13","0.001","90","","1679.87","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","2","","Offei, Samuel D.; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of menarandroside A from dehydroepiandrosterone.","Organic & biomolecular chemistry","2023","21","15","3172","3176","10.1039/d3ob00054k","","x-ray","1.54184","CuKα","","0.0433","0.0422","","","0.1129","0.1143","","","","","","1.095","","","","has coordinates","283466","2023-05-05","03:21:37","" "7159219","11.578","0.006","10.373","0.005","13.434","0.006","90","","92.346","0.009","90","","1612.1","1.3","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Liu, Donghan; Song, Siyu; Chen, Longkun; Zhang, Mingshuai; Liu, Zhuoyuan; Lu, Xihang; Huang, Jiuzhong; Yu, Fuchao","Access to thiionized-, selenolized-, and alkylated 5-alkylidene 3-pyrrolin-2-one derivatives via a regioselective oxidative annulation reaction.","Organic & biomolecular chemistry","2023","21","12","2596","2602","10.1039/d3ob00014a","","","0.71073","MoKα","","0.1652","0.0807","","","0.1832","0.2296","","","","","","0.972","","","","has coordinates","283487","2023-05-05","03:28:20","" "7159220","11.2145","0.0017","22.855","0.004","9.3203","0.0014","90","","105.549","0.003","90","","2301.4","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N2 O S -","- C27 H26 N2 O S -","- C108 H104 N8 O4 S4 -","4","1","","Liu, Donghan; Song, Siyu; Chen, Longkun; Zhang, Mingshuai; Liu, Zhuoyuan; Lu, Xihang; Huang, Jiuzhong; Yu, Fuchao","Access to thiionized-, selenolized-, and alkylated 5-alkylidene 3-pyrrolin-2-one derivatives via a regioselective oxidative annulation reaction.","Organic & biomolecular chemistry","2023","21","12","2596","2602","10.1039/d3ob00014a","","","0.71073","MoKα","","0.1013","0.0552","","","0.1101","0.1301","","","","","","1.043","","","","has coordinates","283487","2023-05-05","03:28:20","" "7159221","32.974","0.007","9.249","0.0018","15.64","0.003","90","","91.554","0.004","90","","4768.1","1.6","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C184 H192 N16 O16 -","8","1","","Liu, Donghan; Song, Siyu; Chen, Longkun; Zhang, Mingshuai; Liu, Zhuoyuan; Lu, Xihang; Huang, Jiuzhong; Yu, Fuchao","Access to thiionized-, selenolized-, and alkylated 5-alkylidene 3-pyrrolin-2-one derivatives via a regioselective oxidative annulation reaction.","Organic & biomolecular chemistry","2023","21","12","2596","2602","10.1039/d3ob00014a","","","0.71073","MoKα","","0.1619","0.0876","","","0.2455","0.2864","","","","","","1.03","","","","has coordinates","283487","2023-05-05","03:28:20","" "7159222","19.5971","0.0013","7.6234","0.0005","19.6148","0.0013","90","","100.404","0.002","90","","2882.2","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C136 H152 N8 O24 -","8","2","","Banda, Saikumar; Villinger, Alexander; Brasholz, Malte","Synthesis of azepane-fused pyrano[3,2-b]indoles by Lewis acid-catalysed oxa Diels-Alder reactions.","Organic & biomolecular chemistry","2023","21","21","4379","4381","10.1039/d3ob00234a","","","0.71073","MoKα","","0.072","0.0594","","","0.1469","0.1543","","","","","","1.065","","","","has coordinates","284335","2023-06-05","04:57:50","" "7159223","11.38512","0.00006","9.48447","0.00004","15.80604","0.00008","90","","110.665","0.0006","90","","1596.95","0.015","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","2","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-a]cyclopenta[e]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0276","0.0275","","","0.073","0.0731","","","","","","1.04","","","","has coordinates","283448","2023-05-05","03:15:28","" "7159224","7.48251","0.00007","8.97191","0.00013","13.67021","0.00019","107.801","0.0013","96.7797","0.0009","98.0759","0.001","852.4","0.02","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C42 H40 N4 O8 -","2","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-a]cyclopenta[e]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0389","0.0377","","","0.1038","0.1049","","","","","","1.034","","","","has coordinates","283448","2023-05-05","03:15:38","" "7159225","8.16824","0.00005","16.10854","0.00012","13.62304","0.00008","90","","91.7049","0.0006","90","","1791.7","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C84 H88 N8 O20 -","4","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-a]cyclopenta[e]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0368","0.0359","","","0.0922","0.0929","","","","","","1.048","","","","has coordinates","283448","2023-05-05","03:15:41","" "7159226","11.68226","0.00012","9.54123","0.00006","15.99352","0.00016","90","","110.869","0.0011","90","","1665.73","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","2","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-a]cyclopenta[e]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0548","0.0548","","","0.1411","0.1412","","","","","","1.067","","","","has coordinates","283448","2023-05-05","03:15:50","" "7159227","22.38682","0.00016","12.13681","0.00009","13.54889","0.00007","90","","93.0248","0.0006","90","","3676.17","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H25 N2 O3.5 -","- C21.5 H25 N2 O3.5 -","- C172 H200 N16 O28 -","8","2","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-a]cyclopenta[e]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0749","0.0718","","","0.2347","0.238","","","","","","1.187","","","","has coordinates","283448","2023-05-05","03:16:00","" "7159228","8.48626","0.00008","24.4487","0.0002","12.18602","0.00009","90","","102.129","0.0008","90","","2471.89","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N4 O3 -","- C28 H34 N4 O3 -","- C112 H136 N16 O12 -","4","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-a]cyclopenta[e]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0416","0.0399","","","0.1035","0.1048","","","","","","1.076","","","","has coordinates","283448","2023-05-05","03:16:13","" "7159229","18.1847","0.0002","9.88774","0.00011","27.3603","0.0004","90","","106.553","0.0013","90","","4715.65","0.11","99.98","0.1","99.98","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C25 H24 N4 O2 -","- C25 H24 N4 O2 -","- C200 H192 N32 O16 -","8","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-a]cyclopenta[e]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0577","0.0563","","","0.1405","0.1413","","","","","","1.092","","","","has coordinates","283448","2023-05-05","03:16:24","" "7159230","28.2772","0.001","11.1135","0.0009","7.9823","0.0003","90","","90.234","0.004","90","","2508.5","0.2","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C26 H26 N4 O5 -","- C24 H20 N4 O4 -","- C96 H80 N16 O16 -","4","1","","Fares, Mohamed; Wu, Xin; McNaughton, Daniel A.; Gilchrist, Alexander M.; Lewis, William; Keller, Paul A.; Arias-Betancur, Alain; Fontova, Pere; Pérez-Tomás, Ricardo; Gale, Philip A.","A potent fluorescent transmembrane HCl transporter perturbs cellular pH and promotes cancer cell death.","Organic & biomolecular chemistry","2023","21","12","2509","2515","10.1039/d3ob00128h","","x-ray","1.54184","CuKα","K-L~2,3~","0.1531","0.0661","","","0.1579","0.2088","","","","","","0.931","","","","has coordinates,has disorder","283488","2023-05-05","03:28:28","" "7159231","19.32005","0.00012","5.34244","0.00002","11.81711","0.00004","90","","98.3058","0.0004","90","","1206.92","0.01","173","0.1","173","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C9 H13 N5 O7 -","- C9 H13 N5 O7 -","- C36 H52 N20 O28 -","4","1","","Takemura, Hirohide; Choi, Jae-Hoon; Fushimi, Keiji; Narikawa, Rei; Wu, Jing; Kondo, Mitsuru; Nelson, David C.; Suzuki, Tomohiro; Ouchi, Hitoshi; Inai, Makoto; Hirai, Hirofumi; Kawagishi, Hirokazu","Role of hypoxanthine-guanine phosphoribosyltransferase in the metabolism of fairy chemicals in rice.","Organic & biomolecular chemistry","2023","21","12","2556","2561","10.1039/d3ob00026e","","x-ray","1.54184","CuKα","","0.0288","0.0288","","","0.0784","0.0784","","","","","","1.064","","","","has coordinates","298703","2025-04-03","05:34:21","" "7159232","6.6858","0.0004","26.274","0.0017","11.3518","0.0007","90","","102.219","0.003","90","","1948.9","0.2","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H52 N4 O6 -","- C29 H52 N4 O6 -","- C58 H104 N8 O12 -","2","1","","Singh, Hanuman; Pragya, Pragya; Mittal, Aditya; Haridas, V.","Pseudopeptosomes: non-lipidated vesicular assemblies from bispidine-appended pseudopeptides.","Organic & biomolecular chemistry","2023","21","17","3557","3566","10.1039/d3ob00201b","","","0.71073","MoKα","","0.1138","0.0505","","","0.1282","0.1644","","","","","","0.9893","","","","has coordinates","283438","2023-05-05","03:11:34","" "7159233","13.65","0.013","9.887","0.01","15.827","0.016","90","","112.53","0.03","90","","1973","3","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H52 N6 O7 -","- C39 H52 N6 O7 -","- C78 H104 N12 O14 -","2","1","","Singh, Hanuman; Pragya, Pragya; Mittal, Aditya; Haridas, V.","Pseudopeptosomes: non-lipidated vesicular assemblies from bispidine-appended pseudopeptides.","Organic & biomolecular chemistry","2023","21","17","3557","3566","10.1039/d3ob00201b","","","0.71073","MoKα","","0.1539","0.0736","","","0.1508","0.1957","","","","","","1.0396","","","","has coordinates","283438","2023-05-05","03:11:34","" "7159234","29.297","0.006","8.32","0.0017","18.92","0.004","90","","115.25","0.03","90","","4171.1","1.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N2 O8 -","- C24 H18 N2 O8 -","- C192 H144 N16 O64 -","8","1","","Shahedi, Mansour; Omidi, Niloofar; Habibi, Zohreh; Yousefi, Maryam; Brask, Jesper; Notash, Behrouz; Mohammadi, Mehdi","Biocatalytic stereoselective synthesis of pyrrolidine-2,3-diones containing all-carbon quaternary stereocenters.","Organic & biomolecular chemistry","2023","21","13","2742","2747","10.1039/d2ob02294j","","","0.71073","MoKα","","0.1129","0.0647","","","0.1332","0.1501","","","","","","1.025","","","","has coordinates","283449","2023-05-05","03:16:36","" "7159235","19.6578","0.001","7.7477","0.0003","20.2282","0.0009","90","","108.834","0.006","90","","2915.9","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 N5 O -","- C16 H11 N5 O -","- C128 H88 N40 O8 -","8","1","","Neethu, K. M.; Nag, Kritika; Dar, Arif Hassan; Bajaj, Ashima; Gopal, S. Arya; Gowri, Vijayendran; Nagpure, Mithilesh; Sartaliya, Shaifali; Sharma, Raina; Solanki, Arun Kumar; Ehesan Ali, Md; Muthukrishnan, Azhagumuthu; Jayamurugan, Govindasamy","A study of [2 + 2] cycloaddition-retroelectrocyclization in water: observation of substrate-driven transient-nanoreactor-induced new reactivity.","Organic & biomolecular chemistry","2023","21","14","2922","2929","10.1039/d3ob00053b","","x-ray","0.71073","MoKα","","0.0648","0.0474","","","0.1208","0.1321","","","","","","1.056","","","","has coordinates","283459","2023-05-05","03:19:14","" "7159236","11.586","0.001","9.123","0.001","15.33","0.001","90","","91.12","0.01","90","","1620.1","0.2","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Cl2 N4 -","- C18 H14 Cl2 N4 -","- C72 H56 Cl8 N16 -","4","0.5","","Gugulothu, Kishan; Jatoth, Ramanna; Edukondalu, Peramalla; Vanga, Anusha; Matta, Raghavender; Shiva Kumar, K.","Synthesis of fused bis-indazoles/indazoles via a one-pot sequential strategy.","Organic & biomolecular chemistry","2023","21","13","2816","2821","10.1039/d3ob00121k","","","0.71073","MoKα","","0.0418","0.0371","","","0.1282","0.137","","","","","","0.989","","","","has coordinates","283453","2023-05-05","03:17:54","" "7159237","17.887","0.003","10.805","0.001","15.51","0.001","90","","113.27","0.01","90","","2753.8","0.6","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N4 -","- C17 H14 N4 -","- C136 H112 N32 -","8","2","","Gugulothu, Kishan; Jatoth, Ramanna; Edukondalu, Peramalla; Vanga, Anusha; Matta, Raghavender; Shiva Kumar, K.","Synthesis of fused bis-indazoles/indazoles via a one-pot sequential strategy.","Organic & biomolecular chemistry","2023","21","13","2816","2821","10.1039/d3ob00121k","","","0.71073","MoKα","","0.0975","0.0529","","","0.1423","0.1811","","","","","","1.005","","","","has coordinates","283453","2023-05-05","03:17:57","" "7159238","12.637","0.001","14.143","0.001","9.403","0.001","90","","122.24","0.01","90","","1421.4","0.3","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N4 -","- C18 H16 N4 -","- C72 H64 N16 -","4","0.5","","Gugulothu, Kishan; Jatoth, Ramanna; Edukondalu, Peramalla; Vanga, Anusha; Matta, Raghavender; Shiva Kumar, K.","Synthesis of fused bis-indazoles/indazoles via a one-pot sequential strategy.","Organic & biomolecular chemistry","2023","21","13","2816","2821","10.1039/d3ob00121k","","","0.71073","MoKα","","0.0628","0.0428","","","0.1237","0.1441","","","","","","0.965","","","","has coordinates","283453","2023-05-05","03:18:09","" "7159239","9.9448","0.0006","10.8509","0.0006","12.3306","0.0007","92.569","0.002","104.348","0.002","96.07","0.002","1278.38","0.13","297","2","297","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H29 Cl O4 -","- C29 H29 Cl O4 -","- C58 H58 Cl2 O8 -","2","1","","Gond, Kavyashree Kuppayya; Maddani, Mahagundappa Rachappa","Addition of sulfonylphthalides to para-quinone methides: Selective 1,6-additions and oxidative annulations.","Organic & biomolecular chemistry","2023","21","12","2504","2508","10.1039/d2ob02134j","","","0.71073","MoKα","","0.0707","0.0533","","","0.1215","0.1355","","","","","","1.027","","","","has coordinates","283483","2023-05-05","03:25:44","" "7159240","9.895","0.002","10.862","0.002","12.428","0.003","92.652","0.006","104.732","0.006","95.795","0.006","1281.6","0.5","299","2","299","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H32 O4 -","- C30 H32 O4 -","- C60 H64 O8 -","2","1","","Gond, Kavyashree Kuppayya; Maddani, Mahagundappa Rachappa","Addition of sulfonylphthalides to para-quinone methides: Selective 1,6-additions and oxidative annulations.","Organic & biomolecular chemistry","2023","21","12","2504","2508","10.1039/d2ob02134j","","","0.71073","MoKα","","0.0953","0.0686","","","0.1388","0.1579","","","","","","1.103","","","","has coordinates","283483","2023-05-05","03:25:44","" "7159241","11.4676","0.0018","23.735","0.004","24.998","0.003","90","","92.236","0.003","90","","6798.9","1.8","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Cl O5 S -","- C35.5 H36.5 Cl O5.5 S -","- C284 H292 Cl8 O44 S8 -","8","2","","Gond, Kavyashree Kuppayya; Maddani, Mahagundappa Rachappa","Addition of sulfonylphthalides to para-quinone methides: Selective 1,6-additions and oxidative annulations.","Organic & biomolecular chemistry","2023","21","12","2504","2508","10.1039/d2ob02134j","","","0.71073","MoKα","","0.0813","0.0546","","","0.1433","0.164","","","","","","1.016","","","","has coordinates","298703","2025-04-03","05:34:22","" "7159242","9.2573","0.0002","17.7086","0.0004","17.8309","0.0004","90","","90","","90","","2923.09","0.11","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 N O2 P -","- C34 H34 N O2 P -","- C136 H136 N4 O8 P4 -","4","1","","Mino, Takashi; Takaya, Kaho; Koki, Kaito; Akimoto, Natsume; Yoshida, Yasushi; Kasashima, Yoshio; Sakamoto, Masami","Axially chiral N-alkyl-N-cinnamoyl amide type P,olefin ligands for Pd-catalyzed reactions.","Organic & biomolecular chemistry","2023","21","13","2775","2778","10.1039/d3ob00224a","","","1.54178","CuKα","","0.0432","0.0418","","","0.1079","0.1117","","","","","","0.822","","","","has coordinates","283452","2023-05-05","03:17:37","" "7159243","7.0037","0.0005","8.0678","0.0004","16.6349","0.001","96.374","0.005","91.813","0.006","107.232","0.006","890.14","0.1","100","0.17","100","0.17","","","","","","","","5","P -1","-P 1","2","","ethyl 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylate","","- C20 H17 F N2 O4 -","- C20 H17 F N2 O4 -","- C40 H34 F2 N4 O8 -","2","1","","Galenko, Ekaterina E.; Zanakhov, Timur O.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Metal carbonyl mediated rearrangement of 5-(2-oxoalkyl)-1,2,4-oxadiazoles: synthesis of fully substituted pyrimidines.","Organic & biomolecular chemistry","2023","21","14","2990","3001","10.1039/d3ob00148b","","x-ray","1.54184","CuKα","","0.0628","0.0525","","","0.1404","0.1527","","","","","","1.053","","","","has coordinates,has disorder","283458","2023-05-05","03:19:07","" "7159244","16.0365","0.0003","7.7481","0.0001","20.9647","0.0004","90","","107.459","0.002","90","","2484.91","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 2-phenyl-4-(phenyl(pyridin-2-yl)amino)-6-(p-tolyl)pyrimidine-5-carboxylate","","- C31 H26 N4 O2 -","- C31 H26 N4 O2 -","- C124 H104 N16 O8 -","4","1","","Galenko, Ekaterina E.; Zanakhov, Timur O.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Metal carbonyl mediated rearrangement of 5-(2-oxoalkyl)-1,2,4-oxadiazoles: synthesis of fully substituted pyrimidines.","Organic & biomolecular chemistry","2023","21","14","2990","3001","10.1039/d3ob00148b","","x-ray","1.54184","CuKα","","0.0568","0.0485","","","0.1155","0.12","","","","","","1.041","","","","has coordinates","283458","2023-05-05","03:19:07","" "7159245","7.6114","0.0004","15.1521","0.0007","21.9238","0.0011","90","","90","","90","","2528.4","0.2","200","1","200","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H13 Cl N2 O2 -","- C14 H13 Cl N2 O2 -","- C112 H104 Cl8 N16 O16 -","8","1","","Beghennou, Anissa; Gontard, Geoffrey; Dossmann, Héloïse; Passador, Kévin; Thorimbert, Serge; Corcé, Vincent; Botuha, Candice","1,6-Naphthyridin-7(6H)-ones: synthesis and optical properties.","Organic & biomolecular chemistry","2023","21","14","2976","2982","10.1039/d3ob00081h","","","1.54178","CuKα","","0.0353","0.0311","","","0.085","0.0881","","","","","","1.049","","","","has coordinates","283454","2023-05-05","03:18:17","" "7159246","9.711","0.0001","8.912","0.0001","20.7791","0.0002","90","","99.215","0.001","90","","1775.11","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((2,5-dioxo-4-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino)benzoic acid","","- C19 H18 N2 O5 S -","- C19 H18 N2 O5 S -","- C76 H72 N8 O20 S4 -","4","1","","Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Ganusenko, Daniil D.; Kurenkov, Igor A.; Leontiev, Alexander V.; Aksenov, Alexander V.","Synthesis of 2-carboxyaniline-substituted maleimides from 2'-nitrochalcones.","Organic & biomolecular chemistry","2023","21","15","3156","3166","10.1039/d3ob00197k","","x-ray","1.54184","synchrotron","","0.0403","0.0393","","","0.1051","0.1059","","","","","","1.039","","","","has coordinates","283462","2023-05-05","03:19:57","" "7159247","9.8033","0.0006","19.8092","0.0009","9.7119","0.0007","90","","114.003","0.008","90","","1722.9","0.2","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 O4 S -","- C18 H26 O4 S -","- C72 H104 O16 S4 -","4","1","","Lu, Wen-Hua; Yang, Dan; Wang, Guo-Qin; Wang, Ting; Zhou, Yuan-Xia; Jing, Lin-Hai","Photocatalytic synthesis of alkyl-alkyl sulfones via direct C(sp3)-H bond functionalization.","Organic & biomolecular chemistry","2023","21","13","2822","2827","10.1039/d3ob00276d","","x-ray","0.71073","MoKα","","0.0633","0.0461","","","0.1097","0.1239","","","","","","1.047","","","","has coordinates","283446","2023-05-05","03:14:53","" "7159248","4.7826","0.0009","16.631","0.003","19.594","0.002","90","","90.09","0.01","90","","1558.5","0.4","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 N4 O -","- C16 H14 Cl2 N4 O -","- C64 H56 Cl8 N16 O4 -","4","1","","Lu, Changtong; Histand, Gary; Lin, Dongen","Visible light-induced direct alkylation of the purine C8-H bond with ethers.","Organic & biomolecular chemistry","2023","21","15","3167","3171","10.1039/d3ob00147d","","x-ray","1.54184","CuKα","","0.0853","0.0796","","","0.2037","0.2175","","","","","","1.029","","","","has coordinates,has disorder","283467","2023-05-05","03:21:44","" "7159249","27.34","0.004","5.3646","0.0006","10.6018","0.0013","90","","94.192","0.012","90","","1550.8","0.3","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Zhang, Zhang; Wang, Ying-Chun; Tang, Hai-Tao; Pan, Ying-Ming; Meng, Xiu-Jin","Electrocatalytic ring-opening dihydroalkoxylation of N-aryl maleimides with alcohols under metal- and oxidant-free conditions.","Organic & biomolecular chemistry","2023","21","15","3177","3182","10.1039/d3ob00178d","","x-ray","1.54184","CuKα","","0.1369","0.1125","","","0.2955","0.3212","","","","","","1.217","","","","has coordinates","283463","2023-05-05","03:20:18","" "7159250","10.24","0.007","8.487","0.005","13.274","0.009","90","","107.29","0.04","90","","1101.5","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Cu2 N4 O10 -","- C14 H28 Cu2 N4 O10 -","- C28 H56 Cu4 N8 O20 -","2","0.5","","Saikia, Rakhee; Das, Sanghamitra; Almin, Arzu; Mahanta, Abhijit; Sarma, Bipul; Thakur, Ashim J.; Bora, Utpal","N,N'-Dimethylurea as an efficient ligand for the synthesis of pharma-relevant motifs through Chan-Lam cross-coupling strategy.","Organic & biomolecular chemistry","2023","21","15","3143","3155","10.1039/d3ob00176h","","","0.71073","MoKα","","0.0814","0.0453","","","0.0811","0.0878","","","","","","0.852","","","","has coordinates","283464","2023-05-05","03:20:33","" "7159251","15.9417","0.0014","7.4061","0.0008","12.3726","0.0014","90","","107.42","0.011","90","","1393.8","0.3","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O Se -","- C16 H15 N O Se -","- C64 H60 N4 O4 Se4 -","4","1","","Li, Bin; Hu, Mingli; Ge, Jun; Xu, Wei; Wu, Jinghan; Tong, Yao; Zhao, Zhengyi; Liu, Xiuxiu; He, Ling","Regioselective C-H chalcogenylation and halogenation of arenes and alkenes under metal-free conditions.","Organic & biomolecular chemistry","2023","21","14","2910","2916","10.1039/d3ob00150d","","x-ray","0.71073","MoKα","","0.0937","0.0472","","","0.0877","0.1057","","","","","","1.013","","","","has coordinates","283455","2023-05-05","03:18:24","" "7159252","7.588","0.004","13.617","0.008","14.984","0.009","67.863","0.017","80.098","0.017","77.161","0.016","1391.6","1.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Br N2 O2 -","- C15 H15 Br N2 O2 -","- C60 H60 Br4 N8 O8 -","4","2","","Roy, Naveen J.; Pujari, Parappa L.; Talukdar, Pinaki","Bimodal structural tuning of pyrrole-2-carboxamide-based transmembrane ion transport systems.","Organic & biomolecular chemistry","2023","21","16","3323","3329","10.1039/d3ob00269a","","","0.71073","MoKα","","0.1174","0.0509","","","0.1003","0.1196","","","","","","0.963","","","","has coordinates","283441","2023-05-05","03:13:37","" "7159253","7.5114","0.0014","23.535","0.004","18.064","0.003","90","","90.01","0.01","90","","3193.4","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 Br Cl N3 O2 -","- C31 H51 Br Cl N3 O2 -","- C124 H204 Br4 Cl4 N12 O8 -","4","1","","Roy, Naveen J.; Pujari, Parappa L.; Talukdar, Pinaki","Bimodal structural tuning of pyrrole-2-carboxamide-based transmembrane ion transport systems.","Organic & biomolecular chemistry","2023","21","16","3323","3329","10.1039/d3ob00269a","","","0.71073","MoKα","","0.1339","0.0842","","","0.1778","0.2097","","","","","","1.082","","","","has coordinates,has disorder","283441","2023-05-05","03:13:47","" "7159254","18.0917","0.0006","12.0597","0.0005","35.4251","0.001","90","","91.256","0.003","90","","7727.2","0.5","123","1","123","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C37.5 H33 Cl7 N2 O6 -","- C37.5 H27 Cl7 N2 O6 -","- C300 H216 Cl56 N16 O48 -","8","1","","Sierra, Sonia; López, Rosa; Gómez-Bengoa, Enrique; Falvello, Larry R.; Urriolabeitia, Esteban P.","Synthesis of 1,2-diaminotruxinic δ-cyclobutanes by BF3-controlled [2 + 2]-photocycloaddition of 5(4H)-oxazolones and stereoselective expansion of δ-cyclobutanes to give highly substituted pyrrolidine-2,5-dicarboxylates.","Organic & biomolecular chemistry","2023","21","15","3203","3213","10.1039/d3ob00284e","","x-ray","0.71073","MoKα","","0.0841","0.0485","","","0.0971","0.1121","","","","","","1.017","","","","has coordinates,has disorder","283470","2023-05-05","03:22:07","" "7159255","9.6404","0.0008","10.1481","0.0009","17.4357","0.0015","96.554","0.001","96.045","0.001","105.312","0.001","1618","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H30 Cl2 F2 N2 O6 -","- C34 H28 F2 N2 O6 -","- C68 H56 F4 N4 O12 -","2","1","","Sierra, Sonia; López, Rosa; Gómez-Bengoa, Enrique; Falvello, Larry R.; Urriolabeitia, Esteban P.","Synthesis of 1,2-diaminotruxinic δ-cyclobutanes by BF3-controlled [2 + 2]-photocycloaddition of 5(4H)-oxazolones and stereoselective expansion of δ-cyclobutanes to give highly substituted pyrrolidine-2,5-dicarboxylates.","Organic & biomolecular chemistry","2023","21","15","3203","3213","10.1039/d3ob00284e","","","0.71073","MoKα","","0.1289","0.0851","","","0.2397","0.2648","","","","","","1.023","","","","has coordinates","283470","2023-05-05","03:22:17","" "7159256","9.4722","0.0013","10.4254","0.0015","18.483","0.003","99.183","0.002","93.99","0.002","108.186","0.002","1697.9","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H27 Cl3 F4 N2 O6 -","- C35 H26 Cl2.998 F4 N2 O6 -","- C70 H52 Cl5.996 F8 N4 O12 -","2","1","","Sierra, Sonia; López, Rosa; Gómez-Bengoa, Enrique; Falvello, Larry R.; Urriolabeitia, Esteban P.","Synthesis of 1,2-diaminotruxinic δ-cyclobutanes by BF3-controlled [2 + 2]-photocycloaddition of 5(4H)-oxazolones and stereoselective expansion of δ-cyclobutanes to give highly substituted pyrrolidine-2,5-dicarboxylates.","Organic & biomolecular chemistry","2023","21","15","3203","3213","10.1039/d3ob00284e","","","0.71073","MoKα","","0.0825","0.0453","","","0.1005","0.116","","","","","","1.011","","","","has coordinates,has disorder","283470","2023-05-05","03:22:19","" "7159257","5.37551","0.00009","7.85484","0.00012","56.3649","0.0009","90","","90","","90","","2379.94","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 O5 P -","- C25 H31 O5 P -","- C100 H124 O20 P4 -","4","1","","Huang, Zhuo; Liu, Xu-Teng; Cui, Ranran; Zhang, Qing-Wei","Nickel-catalysed enantioselective reaction of secondary phosphine oxides and activated vinylcyclopropanes.","Organic & biomolecular chemistry","2023","21","15","3096","3100","10.1039/d3ob00389b","","x-ray","1.54184","CuKα","","0.0988","0.0953","","","0.2373","0.2409","","","","","","1.094","","","","has coordinates","298703","2025-04-03","05:34:22","" "7159258","16.8319","0.0012","15.3118","0.0013","6.5989","0.0006","90","","90","","90","","1700.7","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H18 F3 N S -","- C19 H18 F3 N S -","- C76 H72 F12 N4 S4 -","4","1","","Zhang, Xinyu; Zhang, Jinli; Chen, Jie; Zhou, Banghua; Zhang, Jian; Chen, Shunhong; Wu, Jian; Jiang, Yaojia","Modular synthesis of fluorinated 2H-thiophenes via [4 + 1] cyclization of enaminothiones.","Organic & biomolecular chemistry","2023","21","16","3345","3349","10.1039/d3ob00222e","","","0.71073","","","0.0982","0.0741","","","0.1558","0.1722","","","","","","1.174","","","","has coordinates","283444","2023-05-05","03:14:32","" "7159259","13.785","0.005","8.252","0.003","12.807","0.005","90","","96.271","0.007","90","","1448.1","0.9","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 O2 -","- C21 H14 O2 -","- C84 H56 O8 -","4","1","","Geng, Meiqi; Kuang, Jinqiang; Miao, Maozhong; Ma, Yongmin","Cu(II)-catalyzed domino construction of spironaphthalenones by dearomatization of β-naphthols and using N,N-dimethylaminoethanol as a C1 synthon.","Organic & biomolecular chemistry","2023","21","15","3101","3104","10.1039/d3ob00296a","","","0.71073","MoKα","","0.1519","0.0549","","","0.112","0.1493","","","","","","0.947","","","","has coordinates","283468","2023-05-05","03:21:49","" "7159260","12.0118","0.0001","12.1812","0.0001","13.6128","0.0001","90","","90","","90","","1991.8","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 -","- C26 H26 N2 -","- C104 H104 N8 -","4","1","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.0277","0.027","","","0.0701","0.0716","","","","","","1.074","","","","has coordinates","283439","2023-05-05","03:12:05","" "7159261","8.4743","0.0001","10.547","0.0001","12.4447","0.0001","90","","98.883","0.001","90","","1098.95","0.019","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 -","- C28 H30 N2 -","- C56 H60 N4 -","2","1","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.0258","0.0255","","","0.066","0.0662","","","","","","1.059","","","","has coordinates","283439","2023-05-05","03:12:17","" "7159262","22.6368","0.0005","7.9095","0.0001","15.4739","0.0003","90","","98.224","0.002","90","","2742.05","0.09","100.02","0.13","100.02","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 B F4 N2 -","- C34 H31 B0.9999 F3.9996 N2 -","- C136 H124 B3.9996 F15.9984 N8 -","4","1","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.11","0.1039","","","0.3147","0.3205","","","","","","1.093","","","","has coordinates,has disorder","283439","2023-05-05","03:12:21","" "7159263","10.9012","0.0001","11.666","0.0001","23.8047","0.0002","90","","95.836","0.001","90","","3011.63","0.05","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N3 -","- C19 H19 N3 -","- C152 H152 N24 -","8","2","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.0612","0.0603","","","0.1299","0.1305","","","","","","1.286","","","","has coordinates,has disorder","283439","2023-05-05","03:12:38","" "7159264","7.79528","0.00012","15.428","0.0003","21.7637","0.0006","78.203","0.0019","89.1878","0.0017","76.9905","0.0014","2494.98","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 B F4 N2 -","- C28 H31 B F4 N2 -","- C112 H124 B4 F16 N8 -","4","2","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","","1.54184","CuKα","","0.0555","0.0488","","","0.1391","0.1428","","","","","","1.069","","","","has coordinates,has disorder","283439","2023-05-05","03:12:41","" "7159265","7.856","0.0001","18.388","0.0002","8.8363","0.0001","90","","98.51","0.001","90","","1262.4","0.03","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H30 N2 -","- C34 H30 N2 -","- C68 H60 N4 -","2","1","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.0314","0.0307","","","0.08","0.0808","","","","","","1.021","","","","has coordinates","283439","2023-05-05","03:12:54","" "7159266","12.9821","0.0001","14.7182","0.0001","14.696","0.0001","90","","114.641","0.001","90","","2552.31","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N2 -","- C34 H30 N2 -","- C136 H120 N8 -","4","1","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.0366","0.0343","","","0.0872","0.089","","","","","","1.027","","","","has coordinates","283439","2023-05-05","03:13:03","" "7159267","7.8664","0.0001","22.4348","0.0004","22.691","0.0003","99.363","0.001","95.434","0.001","95.906","0.001","3904.79","0.1","100.02","0.13","100.02","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 B F4 N2 -","- C26 H27 B F4.001 N2 -","- C156 H162 B6 F24.006 N12 -","6","3","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.067","0.0573","","","0.1523","0.161","","","","","","1.022","","","","has coordinates,has disorder","283439","2023-05-05","03:13:08","" "7159268","7.4375","0.0001","14.8172","0.0002","21.9398","0.0003","90","","90","","90","","2417.83","0.06","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H19 F2 N O -","- C30 H20 F2 N2 O -","- C120 H80 F8 N8 O4 -","4","1","","Beriša, Arben; Gredičak, Matija","Chiral phosphoric acid-catalyzed Friedel-Crafts reaction of 2,5-disubstituted and 2-monosubstituted pyrroles with isoindolinone-derived ketimines.","Organic & biomolecular chemistry","2023","21","16","3381","3387","10.1039/d3ob00326d","","","1.54184","CuKα","","0.0348","0.0324","","","0.0882","0.0902","","","","","","1.051","","","","has coordinates","283442","2023-05-05","03:13:58","" "7159269","9.8161","0.0005","17.3216","0.001","16.6079","0.001","90","","92.516","0.002","90","","2821.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N2 O3 S -","- C32 H34 N2 O3 S -","- C128 H136 N8 O12 S4 -","4","1","","Zhang, Tao; Ji, Danqing; Sun, Jiangtao","Catalytic aminomethylative etherification of N-allenamides with N,O-acetals enabled by Lewis/Brønsted acid catalysis.","Organic & biomolecular chemistry","2023","21","16","3340","3344","10.1039/d3ob00363a","","","0.71073","MoKα","","0.0498","0.0374","","","0.0877","0.0944","","","","","","1.015","","","","has coordinates","283443","2023-05-05","03:14:11","" "7159270","9.6485","0.0003","13.5819","0.0004","22.0979","0.0006","90","","90","","90","","2895.82","0.15","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 Br N2 O3 S -","- C32 H33 Br N2 O3 S -","- C128 H132 Br4 N8 O12 S4 -","4","1","","Zhang, Tao; Ji, Danqing; Sun, Jiangtao","Catalytic aminomethylative etherification of N-allenamides with N,O-acetals enabled by Lewis/Brønsted acid catalysis.","Organic & biomolecular chemistry","2023","21","16","3340","3344","10.1039/d3ob00363a","","","1.34139","GaKα","","0.0273","0.0262","","","0.0684","0.0694","","","","","","1.045","","","","has coordinates","283443","2023-05-05","03:14:13","" "7159271","17.7089","0.0001","14.164","0.0001","6.7592","0.0001","90","","98.5","0.001","90","","1676.78","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N6 O -","- C19 H18 N6 O -","- C76 H72 N24 O4 -","4","1","","Ng, Jia Hui; Lim, Felicia Phei Lin; Tiekink, Edward R. T.; Dolzhenko, Anton V.","3,4-Diaminopyrazolo[3,4-d]pyrimidines: a new three-component microwave-assisted synthesis and anti-leukemic properties.","Organic & biomolecular chemistry","2023","21","16","3432","3446","10.1039/d3ob00350g","","","1.54184","CuKα","","0.038","0.0355","","","0.09","0.0924","","","","","","1.049","","","","has coordinates","283440","2023-05-05","03:13:18","" "7159272","7.6452","0.0001","20.3952","0.0003","10.8627","0.0001","90","","90.594","0.001","90","","1693.68","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl F N6 O -","- C18 H16 Cl F N6 O -","- C72 H64 Cl4 F4 N24 O4 -","4","1","","Ng, Jia Hui; Lim, Felicia Phei Lin; Tiekink, Edward R. T.; Dolzhenko, Anton V.","3,4-Diaminopyrazolo[3,4-d]pyrimidines: a new three-component microwave-assisted synthesis and anti-leukemic properties.","Organic & biomolecular chemistry","2023","21","16","3432","3446","10.1039/d3ob00350g","","","1.54184","CuKα","","0.0379","0.0341","","","0.0879","0.0908","","","","","","1.054","","","","has coordinates","283440","2023-05-05","03:13:18","" "7159273","13.1511","0.0001","20.8896","0.0002","7.0074","0.0001","90","","103.52","0.001","90","","1871.73","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl N6 O2 -","- C19 H19 Cl N6 O2 -","- C76 H76 Cl4 N24 O8 -","4","1","","Ng, Jia Hui; Lim, Felicia Phei Lin; Tiekink, Edward R. T.; Dolzhenko, Anton V.","3,4-Diaminopyrazolo[3,4-d]pyrimidines: a new three-component microwave-assisted synthesis and anti-leukemic properties.","Organic & biomolecular chemistry","2023","21","16","3432","3446","10.1039/d3ob00350g","","","1.54184","CuKα","","0.0345","0.0329","","","0.091","0.0923","","","","","","1.07","","","","has coordinates","283440","2023-05-05","03:13:18","" "7159274","19.6065","0.0004","5.4112","0.0001","18.4634","0.0003","90","","114.742","0.002","90","","1779.05","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N6 -","- C20 H20 N6 -","- C80 H80 N24 -","4","1","","Ng, Jia Hui; Lim, Felicia Phei Lin; Tiekink, Edward R. T.; Dolzhenko, Anton V.","3,4-Diaminopyrazolo[3,4-d]pyrimidines: a new three-component microwave-assisted synthesis and anti-leukemic properties.","Organic & biomolecular chemistry","2023","21","16","3432","3446","10.1039/d3ob00350g","","","1.54184","CuKα","","0.041","0.0367","","","0.0933","0.0968","","","","","","1.038","","","","has coordinates","283440","2023-05-05","03:13:18","" "7159275","4.9665","0.0001","11.8329","0.0002","27.6027","0.0005","90","","90","","90","","1622.16","0.05","100","","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","MN-12R","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Falkenburg, Ruben; Notheis, Maximilian J.; Schnakenburg, Gregor; von Krbek, Larissa K. S.","Twelve-membered ring photoswitches with excellent Z → E conversion under ambient light.","Organic & biomolecular chemistry","2023","21","24","4993","4998","10.1039/d3ob00413a","","","1.54186","CuKα","","0.0251","0.0249","","","0.0641","0.0643","","","","","","1.05","","","","has coordinates","284953","2023-07-05","10:48:09","" "7159276","26.2945","0.0005","3.86139","0.00006","25.3106","0.0004","90","","94.4637","0.0017","90","","2562.07","0.08","99.95","0.1","99.95","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 F N O2 -","- C17 H14 F N O2 -","- C136 H112 F8 N8 O16 -","8","1","","Shakenov, Aldiyar; Gnyawali, Krishna Prasad; Yi, Chae S.","Concise synthesis of 2,3-disubstituted quinoline derivatives via ruthenium-catalyzed three-component deaminative coupling reaction of anilines, aldehydes and amines.","Organic & biomolecular chemistry","2023","21","17","3582","3587","10.1039/d3ob00348e","","x-ray","1.54184","CuKα","","0.0367","0.033","","","0.087","0.0912","","","","","","1.036","","","","has coordinates","283437","2023-05-05","03:10:57","" "7159277","14.9864","0.0005","4.8723","0.00014","18.6483","0.0006","90","","102.739","0.003","90","","1328.15","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Shakenov, Aldiyar; Gnyawali, Krishna Prasad; Yi, Chae S.","Concise synthesis of 2,3-disubstituted quinoline derivatives via ruthenium-catalyzed three-component deaminative coupling reaction of anilines, aldehydes and amines.","Organic & biomolecular chemistry","2023","21","17","3582","3587","10.1039/d3ob00348e","","x-ray","0.71073","MoKα","","0.0615","0.0464","","","0.1137","0.1255","","","","","","1.033","","","","has coordinates","283437","2023-05-05","03:11:00","" "7159278","6.031","0.0012","9.2468","0.0018","28.59","0.006","90","","90","","90","","1594.4","0.6","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O6 S2 -","- C12 H21 N O6 S2 -","- C48 H84 N4 O24 S8 -","4","1","","Yang, Lin-Feng; Zhang, Ming; Shimadate, Yuna; Kato, Atsushi; Hou, Tian-Yang Liu; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Design and synthesis of iso-allo-DNJ and L-isoDALDP derivatives: pursuit of potent and selective inhibitors of α-glucosidase.","Organic & biomolecular chemistry","2023","21","16","3453","3464","10.1039/d3ob00404j","","","0.71073","MoKα","","0.0381","0.0371","","","0.0939","0.095","","","","","","1.088","","","","has coordinates","283445","2023-05-05","03:14:46","" "7159279","8.5031","0.0001","11.0312","0.0001","11.5319","0.0001","90","","90","","90","","1081.69","0.019","170","0.1","170","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C40 H60 N4 O20 -","4","1","","Yang, Lin-Feng; Zhang, Ming; Shimadate, Yuna; Kato, Atsushi; Hou, Tian-Yang Liu; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Design and synthesis of iso-allo-DNJ and L-isoDALDP derivatives: pursuit of potent and selective inhibitors of α-glucosidase.","Organic & biomolecular chemistry","2023","21","16","3453","3464","10.1039/d3ob00404j","","x-ray","1.54178","CuKα","","0.0292","0.028","","","0.0754","0.0766","","","","","","1.083","","","","has coordinates","283445","2023-05-05","03:14:46","" "7159280","6.3656","0.00004","17.75841","0.00012","9.71022","0.00007","90","","90.3845","0.0006","90","","1097.65","0.013","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 Cl N O3 -","- C9 H16 Cl N O3 -","- C36 H64 Cl4 N4 O12 -","4","2","","Yang, Lin-Feng; Zhang, Ming; Shimadate, Yuna; Kato, Atsushi; Hou, Tian-Yang Liu; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Design and synthesis of iso-allo-DNJ and L-isoDALDP derivatives: pursuit of potent and selective inhibitors of α-glucosidase.","Organic & biomolecular chemistry","2023","21","16","3453","3464","10.1039/d3ob00404j","","x-ray","1.54184","CuKα","","0.0293","0.0273","","","0.071","0.0722","","","","","","1.059","","","","has coordinates","283445","2023-05-05","03:14:46","" "7159281","6.0362","0.0001","11.5263","0.0003","12.3169","0.0003","90","","90","","90","","856.95","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Cl N O4 -","- C6 H14 Cl N O4 -","- C24 H56 Cl4 N4 O16 -","4","1","","Yang, Lin-Feng; Zhang, Ming; Shimadate, Yuna; Kato, Atsushi; Hou, Tian-Yang Liu; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Design and synthesis of iso-allo-DNJ and L-isoDALDP derivatives: pursuit of potent and selective inhibitors of α-glucosidase.","Organic & biomolecular chemistry","2023","21","16","3453","3464","10.1039/d3ob00404j","","x-ray","0.71073","MoKα","","0.0204","0.0199","","","0.0514","0.0515","","","","","","1.08","","","","has coordinates","283445","2023-05-05","03:14:46","" "7159282","11.5597","0.0001","10.5831","0.0001","13.6952","0.0001","90","","108.399","0.001","90","","1589.79","0.03","169.99","0.13","169.99","0.13","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H41 N O6 Si -","- C33 H41 N O6 Si -","- C66 H82 N2 O12 Si2 -","2","1","","Yang, Lin-Feng; Zhang, Ming; Shimadate, Yuna; Kato, Atsushi; Hou, Tian-Yang Liu; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Design and synthesis of iso-allo-DNJ and L-isoDALDP derivatives: pursuit of potent and selective inhibitors of α-glucosidase.","Organic & biomolecular chemistry","2023","21","16","3453","3464","10.1039/d3ob00404j","","x-ray","1.54184","CuKα","","0.0323","0.0296","","","0.0748","0.0786","","","","","","1.044","","","","has coordinates","283445","2023-05-05","03:14:46","" "7159283","15.7306","0.0009","14.9839","0.0008","7.2686","0.0005","90","","111.748","0.008","90","","1591.31","0.19","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-(3-methyl-4-nitroso-5-phenyl-1H-pyrazol-1-yl)quinoxalin-2-ol","","- C18 H13 N5 O2 -","- C18 H13 N5 O2 -","- C72 H52 N20 O8 -","4","1","","Bobrov, Pavel S.; Kirik, Sergei D.; Peterson, Ivan V.; Suboch, Georgii A.","Regioselective synthesis of novel nitroso-pyrazolylquinoxalines via HOAc-mediated cyclocondensation of 2-hydroxyimino-1,3-diketones with hydrazinylquinoxalines.","Organic & biomolecular chemistry","2023","21","17","3604","3614","10.1039/d3ob00356f","powder diffraction","","1.54184","CuKα","","","","","","","","","7.6","2.02","","","","","","","has coordinates","283436","2023-05-05","03:10:49","" "7159284","10.001","0.0017","17.669","0.003","9.0754","0.0016","90","","98.913","0.017","90","","1584.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sensitive Hydrazine Detection and Quantification with a Fluorescent Benzothiadiazole Probe: Selective Cellular and Multicellular Imaging.","","- C20 H14 N2 O2 S -","- C20 H14 N2 O2 S -","- C80 H56 N8 O8 S4 -","4","1","","Santos, Camila O.; Passos, Saulo T. A.; Sorto, Jenny E. P.; Machado, Daniel F. S.; Correa, Jose R.; da Silva Júnior, Eufrânio N; Rodrigues, Marcelo O.; Neto, Brenno A. D.","Sensitive hydrazine detection and quantification with a fluorescent benzothiadiazole sensor: selective lipid droplets and in vivo imaging.","Organic & biomolecular chemistry","2023","21","22","4606","4619","10.1039/d3ob00007a","","x-ray","0.71073","MoKα","","0.2507","0.1071","","","0.3109","0.3918","","","","","","1.054","","","","has coordinates","284964","2023-07-05","10:53:00","" "7159285","6.2002","0.0009","9.3687","0.0012","15.799","0.002","101.093","0.004","99.079","0.004","105.428","0.004","846.7","0.2","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H16 F5 N O4 -","- C16 H16 F5 N O4 -","- C32 H32 F10 N2 O8 -","2","2","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of N-Boc-(E)-α,β-unsaturated γ-amino acid active esters into N-Boc-(Z)-α,β-unsaturated γ-lactams through E → Z isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","0.71073","MoKα","","0.0455","0.0326","","","0.0631","0.0673","","","","","","1.023","","","","has coordinates","284327","2023-06-05","04:56:51","" "7159286","10.469","0.006","9.455","0.006","11.567","0.006","90","","110.556","0.014","90","","1072.1","1.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 F5 N O4 -","- C22 H20 F5 N O4 -","- C44 H40 F10 N2 O8 -","2","1","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of N-Boc-(E)-α,β-unsaturated γ-amino acid active esters into N-Boc-(Z)-α,β-unsaturated γ-lactams through E → Z isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","0.71073","MoKα","","0.1674","0.0687","","","0.1476","0.2072","","","","","","0.893","","","","has coordinates","284327","2023-06-05","04:56:56","" "7159287","6.216","0.003","5.362","0.003","28.415","0.013","90","","95.424","0.012","90","","942.8","0.8","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C36 H48 N4 O12 -","2","1","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of N-Boc-(E)-α,β-unsaturated γ-amino acid active esters into N-Boc-(Z)-α,β-unsaturated γ-lactams through E → Z isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","0.71073","MoKα","","0.1436","0.0899","","","0.211","0.2324","","","","","","1.085","","","","has coordinates","284327","2023-06-05","04:56:56","" "7159288","6.2063","0.0011","13.323","0.003","16.945","0.003","90","","91.668","0.006","90","","1400.5","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of N-Boc-(E)-α,β-unsaturated γ-amino acid active esters into N-Boc-(Z)-α,β-unsaturated γ-lactams through E → Z isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","0.71073","MoKα","","0.0667","0.0416","","","0.0915","0.1036","","","","","","1.022","","","","has coordinates","284327","2023-06-05","04:56:56","" "7159289","6.191","0.0007","14.7184","0.0016","22.774","0.003","90","","90","","90","","2075.2","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C88 H96 N8 O24 -","4","1","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of N-Boc-(E)-α,β-unsaturated γ-amino acid active esters into N-Boc-(Z)-α,β-unsaturated γ-lactams through E → Z isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","1.54178","CuKα","","0.055","0.0408","","","0.0922","0.0993","","","","","","1.037","","","","has coordinates","284327","2023-06-05","04:56:56","" "7159290","6.146","0.003","14.129","0.007","16.674","0.008","90","","99.499","0.014","90","","1428.1","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of N-Boc-(E)-α,β-unsaturated γ-amino acid active esters into N-Boc-(Z)-α,β-unsaturated γ-lactams through E → Z isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","0.71073","MoKα","","0.1915","0.0723","","","0.1772","0.271","","","","","","0.79","","","","has coordinates","284327","2023-06-05","04:56:56","" "7159291","5.6288","0.0006","8.6039","0.0006","13.5334","0.001","101.322","0.006","97.846","0.007","91.464","0.007","635.72","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Br N O4 -","- C13 H12 Br N O4 -","- C26 H24 Br2 N2 O8 -","2","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of allo-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0596","0.0527","","0.1485","0.1396","0.1485","","","","","","0.9995","","","","has coordinates","284309","2023-06-05","04:51:14","" "7159292","7.6792","0.0003","7.7206","0.0003","18.8453","0.0008","93.826","0.004","92.511","0.004","114.147","0.004","1014.16","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 N O4 Si -","- C19 H27 N O4 Si -","- C38 H54 N2 O8 Si2 -","2","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of allo-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0502","0.041","","0.1102","0.1012","0.1102","","","","","","1.0017","","","","has coordinates","284309","2023-06-05","04:51:14","" "7159293","5.5806","0.0001","13.5108","0.0002","15.3647","0.0003","90","","99.2499","0.0017","90","","1143.41","0.04","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F N O3 -","- C13 H12 F N O3 -","- C52 H48 F4 N4 O12 -","4","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of allo-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0488","0.0454","","0.1238","0.1185","0.1238","","","","","","1.004","","","","has coordinates","284309","2023-06-05","04:51:14","" "7159294","7.5827","0.0002","14.7561","0.0004","17.4215","0.0004","90","","101.342","0.002","90","","1911.24","0.09","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 F N O4 Si -","- C19 H26 F N O4 Si -","- C76 H104 F4 N4 O16 Si4 -","4","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of allo-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","0.6889","Synchrotron","","0.1155","0.0967","","0.2386","0.2278","0.1797","","","","","","0.9946","","","","has coordinates","284309","2023-06-05","04:51:14","" "7159295","7.607","0.0003","7.9569","0.0003","18.7476","0.0006","92.034","0.003","92.705","0.003","115.382","0.004","1022.12","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 F N O4 Si -","- C19 H26 F N O4 Si -","- C38 H52 F2 N2 O8 Si2 -","2","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of allo-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0435","0.0399","","0.115","0.1109","0.115","","","","","","1.0023","","","","has coordinates","284309","2023-06-05","04:51:14","" "7159296","7.6071","0.0002","8.3244","0.0003","18.1081","0.0006","92.806","0.003","91.7","0.003","107.611","0.003","1090.44","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 N2 O6 Si -","- C19 H26 N2 O6 Si -","- C38 H52 N4 O12 Si2 -","2","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of allo-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0354","0.0315","","0.0855","0.0815","0.0855","","","","","","0.9943","","","","has coordinates","284309","2023-06-05","04:51:14","" "7159297","11.7216","0.001","7.9879","0.0006","13.3513","0.0014","90","","113.311","0.012","90","","1148.1","0.2","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H29 N O6 Si -","- C21 H29 N O6 Si -","- C42 H58 N2 O12 Si2 -","2","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of allo-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0594","0.0436","","0.1173","0.1001","0.1173","","","","","","1.0019","","","","has coordinates,has disorder","284309","2023-06-05","04:51:14","" "7159298","8.2581","0.0001","15.3881","0.0001","31.9391","0.0002","90","","90","","90","","4058.71","0.06","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H26 N2 O6 Si -","- C19 H26 N2 O6 Si -","- C152 H208 N16 O48 Si8 -","8","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of allo-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0375","0.0334","","0.0932","0.0881","0.0932","","","","","","0.9967","","","","has coordinates","284309","2023-06-05","04:51:15","" "7159299","10.4727","0.0001","8.76","0.0001","28.8275","0.0003","90","","94.2357","0.0009","90","","2637.44","0.05","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H33 N O6 Si -","- C27 H33 N O6 Si -","- C108 H132 N4 O24 Si4 -","4","2","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of allo-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.032","0.0308","","0.0832","0.0816","0.0832","","","","","","1.0042","","","","has coordinates","284309","2023-06-05","04:51:15","" "7159300","12.9946","0.0005","9.2309","0.0003","15.3935","0.0006","90","","92.249","0.004","90","","1845.06","0.12","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 N2 O -","- C12 H8 N2 O -","- C96 H64 N16 O8 -","8","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of allo-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0658","0.062","","0.1776","0.1721","0.1776","","","","","","1.0062","","","","has coordinates","284309","2023-06-05","04:51:15","" "7159301","11.4163","0.0002","12.6752","0.0002","8.4365","0.0002","90","","90","","90","","1220.79","0.04","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of allo-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0302","0.0294","","0.0774","0.076","0.0774","","","","","","1.0046","","","","has coordinates","284309","2023-06-05","04:51:15","" "7159302","12.1705","0.0009","16.4186","0.001","17.4433","0.001","90","","90","","90","","3485.6","0.4","160","2","160","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C160 H192 O40 -","8","1","","Canko, Aleksander; Athanassopoulou, Georgia D.; Psycharis, Vassilis; Raptopoulou, Catherine P.; Herniman, Julie M.; Mouchtouris, Vasileios; Foscolos, Angeliki Sofia; Couladouros, Elias A.; Vidali, Veroniki P.","First total synthesis of type II abyssomicins: (±)-abyssomicin 2 and (±)-neoabyssomicin B.","Organic & biomolecular chemistry","2023","21","18","3761","3765","10.1039/d3ob00476g","","","0.71073","MoKα","","0.0941","0.0528","","","0.1308","0.1577","","","","","","0.912","","","","has coordinates","284330","2023-06-05","04:57:14","" "7159303","5.4791","0.0001","14.148","0.0004","27.7407","0.0008","90","","90","","90","","2150.41","0.1","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4b-pCl","","- C10 H9 Br Cl N O2 -","- C10 H9 Br Cl N O2 -","- C80 H72 Br8 Cl8 N8 O16 -","8","2","","Nishiyori, Ryuichi; Mori, Taiki; Shirakawa, Seiji","Catalytic asymmetric CO2 utilization reaction for the enantioselective synthesis of chiral 2-oxazolidinones.","Organic & biomolecular chemistry","2023","21","19","4002","4006","10.1039/d3ob00555k","","x-ray","1.54184","CuKα","","0.0276","0.0264","","","0.0684","0.0693","","","","","","1.036","","","","has coordinates","296876","2024-12-16","17:34:44","" "7159304","12.3801","0.0002","5.46613","0.00014","18.0363","0.0004","90","","93.6831","0.0018","90","","1218.02","0.05","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","4d-OCF3","","- C11 H9 Br F3 N O3 -","- C11 H9 Br F3 N O3 -","- C44 H36 Br4 F12 N4 O12 -","4","1","","Nishiyori, Ryuichi; Mori, Taiki; Shirakawa, Seiji","Catalytic asymmetric CO2 utilization reaction for the enantioselective synthesis of chiral 2-oxazolidinones.","Organic & biomolecular chemistry","2023","21","19","4002","4006","10.1039/d3ob00555k","","x-ray","1.54184","CuKα","","0.0259","0.025","","","0.0613","0.062","","","","","","1.047","","","","has coordinates","284314","2023-06-05","04:52:12","" "7159305","8.7205","0.0014","13.737","0.003","11.3839","0.0019","90","","100.158","0.016","90","","1342.3","0.4","293.9","0.7","293.9","0.7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","1","","Nam, Seonghyeon; Lee, Sunhee; Kim, Woojin; Kim, Ikyon","Divergent synthesis of two types of indolizines from pyridine-2-acetonitrile, (hetero)arylglyoxal, and TMSCN.","Organic & biomolecular chemistry","2023","21","18","3881","3895","10.1039/d3ob00471f","","x-ray","0.71073","MoKα","","0.1816","0.0778","","","0.1788","0.2429","","","","","","1.009","","","","has coordinates","284328","2023-06-05","04:57:02","" "7159306","12.1137","0.0008","9.2789","0.0007","21.5088","0.0015","90","","90","","90","","2417.6","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H10 N2 O -","- C15 H10 N2 O -","- C120 H80 N16 O8 -","8","1","","Nam, Seonghyeon; Lee, Sunhee; Kim, Woojin; Kim, Ikyon","Divergent synthesis of two types of indolizines from pyridine-2-acetonitrile, (hetero)arylglyoxal, and TMSCN.","Organic & biomolecular chemistry","2023","21","18","3881","3895","10.1039/d3ob00471f","","","0.71073","MoKα","","0.0705","0.0468","","","0.1025","0.1205","","","","","","1.074","","","","has coordinates","284328","2023-06-05","04:57:03","" "7159307","8.3581","0.0007","15.8178","0.0011","24.7199","0.0017","90","","90","","90","","3268.1","0.4","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H16 N2 S -","- C20 H16 N2 S -","- C160 H128 N16 S8 -","8","1","","Liu, Yi; Gao, Wei; Yuan, Sitian; Ni, Mengjia; Hao, Tianxin; Zeng, Cuiying; Xu, Xinyi; Fu, Yang; Peng, Yiyuan; Ding, Qiuping","One-pot synthesis of 11-sulfenyl dibenzodiazepines via tandem sulfenylation/cyclization of o-isocyanodiaryl amines and diaryl disulfides.","Organic & biomolecular chemistry","2023","21","20","4257","4263","10.1039/d3ob00220a","","x-ray","0.71073","MoKα","","0.0881","0.0529","","","0.1131","0.1286","","","","","","1.08","","","","has coordinates","284317","2023-06-05","04:52:35","" "7159308","9.4108","0.0006","7.4249","0.0005","23.574","0.0016","90","","98.961","0.001","90","","1627.11","0.19","120.15","","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cl N O2 -","- C19 H20 Cl N O2 -","- C76 H80 Cl4 N4 O8 -","4","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.04","0.0333","","","0.0761","0.0802","","","","","","1.058","","","","has coordinates","284325","2023-06-05","04:56:25","" "7159309","8.269","0.0002","11.3776","0.0003","12.621","0.0003","65.347","0.001","81.305","0.002","82.114","0.002","1063.13","0.05","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N O7 -","- C23 H25 N O7 -","- C46 H50 N2 O14 -","2","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0477","0.0384","","","0.0852","0.0981","","","","","","1.094","","","","has coordinates","284325","2023-06-05","04:56:25","" "7159310","7.6481","0.0004","14.5397","0.0009","16.0367","0.0008","90","","97.315","0.002","90","","1768.78","0.17","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C76 H100 N4 O24 -","4","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0826","0.0511","","","0.0985","0.1129","","","","","","1.033","","","","has coordinates","284325","2023-06-05","04:56:25","" "7159311","16.0364","0.0003","7.7955","0.0002","29.9446","0.0005","90","","104.065","0.001","90","","3631.2","0.13","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C168 H200 N8 O32 -","8","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0503","0.0408","","","0.0973","0.105","","","","","","1.019","","","","has coordinates","284325","2023-06-05","04:56:25","" "7159312","8.3557","0.0002","12.0543","0.0003","12.7272","0.0003","90","","98.353","0.001","90","","1268.31","0.05","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C56 H76 N4 O8 -","4","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0502","0.0401","","","0.0917","0.0978","","","","","","1.045","","","","has coordinates","284325","2023-06-05","04:56:25","" "7159313","9.3222","0.0002","9.735","0.0002","20.5787","0.0004","90","","100.068","0.001","90","","1838.79","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0438","0.0403","","","0.1039","0.1066","","","","","","1.046","","","","has coordinates","284325","2023-06-05","04:56:25","" "7159314","8.2903","0.0002","11.3338","0.0003","12.6044","0.0003","65.404","0.001","81.038","0.001","82.37","0.001","1060.66","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cl N O7 -","- C22 H22 Cl N O7 -","- C44 H44 Cl2 N2 O14 -","2","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0414","0.0346","","","0.0838","0.0878","","","","","","1.031","","","","has coordinates","284325","2023-06-05","04:56:25","" "7159315","18.0942","0.0006","12.8516","0.0004","20.5407","0.0007","90","","93.074","0.002","90","","4769.6","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H27 N O7 -","- C28 H27 N O7 -","- C224 H216 N8 O56 -","8","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0779","0.0491","","","0.1055","0.1239","","","","","","1.027","","","","has coordinates,has disorder","284325","2023-06-05","04:56:25","" "7159316","7.3053","0.0003","12.1351","0.0004","18.2588","0.0009","90","","92.115","0.004","90","","1617.55","0.12","113.7","0.14","113.7","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C76 H124 N4 O8 -","4","1","","Cao, Yang; Liu, Xiaoyu; Wang, Zhe; Wang, Yuan; Jiao, Xiaozhen; Xie, Ping","Convenient synthesis of perhydrobenz[e]indene triketone, a key intermediate for the total synthesis of stelletins.","Organic & biomolecular chemistry","2023","21","18","3850","3857","10.1039/d3ob00319a","","x-ray","0.71073","MoKα","","0.0612","0.0465","","","0.1033","0.1129","","","","","","1.037","","","","has coordinates","284329","2023-06-05","04:57:08","" "7159317","4.8265","0.0007","11.8034","0.0018","16.146","0.002","74.98","0.012","85.102","0.012","79.447","0.012","872.7","0.2","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H20 N4 O6 -","- C16 H20 N4 O6 -","- C32 H40 N8 O12 -","2","2","","Tammisetti, Raviramanujayya; Chaudhari, Prakash D.; Hong, Bor-Cherng; Chien, Su-Ying","From citronellal to iridoids: asymmetric synthesis of iridoids and their analogues via organocatalytic intramolecular Michael reactions.","Organic & biomolecular chemistry","2023","21","20","4200","4205","10.1039/d3ob00439b","","","1.54178","CuKα","","0.1726","0.1206","","","0.2821","0.3346","","","","","","1.376","","","","has coordinates","294326","2024-09-02","09:37:27","" "7159318","8.6926","0.0004","10.2171","0.0005","10.4436","0.0005","73.2229","0.0017","86.5859","0.0018","65.2493","0.0015","804.46","0.07","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H23 N2 O1.5 -","- C19 H23 N2 O1.5 -","- C38 H46 N4 O3 -","2","2","","Tammisetti, Raviramanujayya; Chaudhari, Prakash D.; Hong, Bor-Cherng; Chien, Su-Ying","From citronellal to iridoids: asymmetric synthesis of iridoids and their analogues via organocatalytic intramolecular Michael reactions.","Organic & biomolecular chemistry","2023","21","20","4200","4205","10.1039/d3ob00439b","","","0.71073","MoKα","","0.0649","0.0466","","","0.092","0.1051","","","","","","1.077","","","","has coordinates","295862","2024-11-09","12:08:12","" "7159319","7.2485","0.0002","10.0179","0.0003","22.3054","0.0007","90","","90","","90","","1619.7","0.08","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl N2 O -","- C19 H21 Cl N2 O -","- C76 H84 Cl4 N8 O4 -","4","1","","Tammisetti, Raviramanujayya; Chaudhari, Prakash D.; Hong, Bor-Cherng; Chien, Su-Ying","From citronellal to iridoids: asymmetric synthesis of iridoids and their analogues via organocatalytic intramolecular Michael reactions.","Organic & biomolecular chemistry","2023","21","20","4200","4205","10.1039/d3ob00439b","","","0.71073","MoKα","","0.0519","0.042","","","0.089","0.0975","","","","","","1.122","","","","has coordinates","284324","2023-06-05","04:55:41","" "7159320","8.6495","0.0004","10.1461","0.0005","10.4409","0.0005","72.9361","0.0019","86.3302","0.0018","65.6886","0.0017","796.57","0.07","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H23 N2 O1.5 -","- C19 H23 N2 O1.5 -","- C38 H46 N4 O3 -","2","2","","Tammisetti, Raviramanujayya; Chaudhari, Prakash D.; Hong, Bor-Cherng; Chien, Su-Ying","From citronellal to iridoids: asymmetric synthesis of iridoids and their analogues via organocatalytic intramolecular Michael reactions.","Organic & biomolecular chemistry","2023","21","20","4200","4205","10.1039/d3ob00439b","","","1.54178","CuKα","","0.0401","0.0393","","","0.1019","0.1031","","","","","","1.021","","","","has coordinates","284324","2023-06-05","04:55:55","" "7159321","7.0003","0.0005","7.5875","0.0003","9.1343","0.0007","90","","106.874","0.007","90","","464.28","0.05","102","4","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-6d","","- C11 H12 O3 -","- C11 H12 O3 -","- C22 H24 O6 -","2","1","","Ojo, O. Stephen; Hughes, David L.; Richards, Christopher J.","An expedient copper-catalysed asymmetric synthesis of γ-lactones and γ-lactams. Application to the synthesis of lucidulactone A.","Organic & biomolecular chemistry","2023","21","19","4144","4149","10.1039/d3ob00563a","","x-ray","1.54184","CuKα","","0.042","0.0418","","","0.1152","0.1154","","","","","","1.071","","","","has coordinates,has disorder","284311","2023-06-05","04:51:36","" "7159322","7.1914","0.0004","10.5484","0.0005","24.6032","0.0013","90","","91.051","0.004","90","","1866.03","0.17","100","0.11","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H28 O5 Si -","- C18 H28 O5 Si -","- C72 H112 O20 Si4 -","4","2","","Ojo, O. Stephen; Hughes, David L.; Richards, Christopher J.","An expedient copper-catalysed asymmetric synthesis of γ-lactones and γ-lactams. Application to the synthesis of lucidulactone A.","Organic & biomolecular chemistry","2023","21","19","4144","4149","10.1039/d3ob00563a","","x-ray","0.71073","MoKα","","0.0667","0.0481","","","0.0988","0.1049","","","","","","1.012","","","","has coordinates","284311","2023-06-05","04:51:36","" "7159323","11.3098","0.0007","12.4371","0.0015","12.7916","0.0013","113.736","0.011","104.197","0.007","95.841","0.007","1555.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C73 H78 N8 Zn2 -","- C73 H70 N8 Zn2 -","- C73 H70 N8 Zn2 -","1","0.5","","Harinath, Adimulam; Karmakar, Himadri; Kisan, Devadkar Ajitaro; Nayek, Hari Pada; Panda, Tarun K.","NHC-Zn alkyl catalyzed cross-dehydrocoupling of amines and silanes.","Organic & biomolecular chemistry","2023","21","20","4237","4244","10.1039/d3ob00453h","","","1.54184","CuKα","","0.0918","0.0687","","","0.1934","0.2183","","","","","","0.926","","","","has coordinates","284318","2023-06-05","04:52:42","" "7159324","6.8198","0.0002","11.6463","0.0004","12.6683","0.0005","90","","99.955","0.003","90","","991.04","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N Si -","- C25 H23 N Si -","- C50 H46 N2 Si2 -","2","1","","Harinath, Adimulam; Karmakar, Himadri; Kisan, Devadkar Ajitaro; Nayek, Hari Pada; Panda, Tarun K.","NHC-Zn alkyl catalyzed cross-dehydrocoupling of amines and silanes.","Organic & biomolecular chemistry","2023","21","20","4237","4244","10.1039/d3ob00453h","","","1.54184","CuKα","","0.0547","0.0532","","","0.1464","0.1483","","","","","","1.1","","","","has coordinates","284318","2023-06-05","04:52:42","" "7159325","7.1923","0.0014","9.941","0.002","15.929","0.003","107.89","0.03","92.67","0.03","90.21","0.03","1082.5","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C48 H48 N4 O10 -","2","1","","Nazeri, Mohammad Taghi; Ahmadi, Masoomeh; Ghasemi, Maryam; Shaabani, Ahmad; Notash, Behrouz","The new synthesis of pyrrole-fused dibenzo[b,f][1,4]oxazepine/thiazepines by the pseudo-Joullié-Ugi reaction via an unexpected route with high chemoselectivity.","Organic & biomolecular chemistry","2023","21","19","4095","4108","10.1039/d3ob00250k","","","0.71073","MoKα","","0.0941","0.0594","","","0.1398","0.1547","","","","","","0.959","","","","has coordinates","284313","2023-06-05","04:51:58","" "7159326","12.6563","0.0006","9.6499","0.0004","14.6371","0.0007","90","","104.392","0.005","90","","1731.56","0.14","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 -","- C22 H19 N3 -","- C88 H76 N12 -","4","1","","Wang, Yufeng; Li, Qiang; Song, Xiaopei; Wang, Jing; Yin, Xiangcong; Li, Shuai-Shuai; Wang, Liang","Chemoselective and diastereoselective construction of 4-alkylidene-tetrahydroquinoline via a redox-neutral vinylogous cascade [1,7]-hydride transfer/6-endo-trig cyclization strategy.","Organic & biomolecular chemistry","2023","21","19","4007","4012","10.1039/d3ob00223c","","","1.54184","CuKα","","0.069","0.0518","","","0.1287","0.1457","","","","","","1.044","","","","has coordinates","284312","2023-06-05","04:51:42","" "7159327","7.6654","0.0006","23.1002","0.0014","12.1164","0.0009","90","","98.245","0.002","90","","2123.3","0.3","152","","152","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N3 O2 S -","- C25 H21 N3 O2 S -","- C100 H84 N12 O8 S4 -","4","1","","Huang, Chaoman; Jin, Zefeng; Zhang, Bei; Zhou, Yuanyuan; Lin, Huiting; Kang, Honglan; Shen, Guodong; Lv, Xin","One-pot synthesis of 4-(imidazol-1-yl)indole derivatives through a sequential dearomatization and Ag-catalyzed cyclization/Cs2CO3-mediated addition/aromatization reaction.","Organic & biomolecular chemistry","2023","21","20","4245","4256","10.1039/d3ob00316g","","","0.71073","MoKα","","0.0728","0.0467","","","0.1118","0.1315","","","","","","0.968","","","","has coordinates","284315","2023-06-05","04:52:20","" "7159328","9.3963","0.0007","9.7124","0.0009","12.0714","0.001","90","","90","","90","","1101.64","0.16","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","benzo[c]tetrazolo[2,3-a]cinnoline-2-thione","benzo[c]tetrazolo[2,3-a]cinnolinium-2-thiolate","","- C13 H8 N4 S -","- C13 H8 N4 S -","- C52 H32 N16 S4 -","4","1","","Nakata, Mirai; Hirashita, Tsunehisa; Konishi, Yoshikazu; Araki, Shuki","Synthesis of stable class 5 mesoionic benzo[c]tetrazolo[2,3-a]cinnolinium thiolate, dicyanomethylide, and amides.","Organic & biomolecular chemistry","2023","21","20","4282","4289","10.1039/d3ob00362k","","","0.71075","MoKα","","","0.0374","","","","0.0653","","","","","","0.887","","","","has coordinates","284319","2023-06-05","04:52:47","" "7159329","8.03311","0.0001","24.9979","0.0003","8.69995","0.0001","90","","99.4412","0.0012","90","","1723.38","0.04","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ray","","- C23 H16 F O2 -","- C23 H17 F O2 -","- C92 H68 F4 O8 -","4","1","","Ray, Subhasish; Yadav, Anup Kumar; Singh, Saurabh; Ansari, Monish Arbaz; Singh, Maya Shankar","Electronically-controlled diastereoselective synthesis of spirocycles via [4 + 2] cycloaddition of 2-arylidene-1-indenones with benzyne.","Organic & biomolecular chemistry","2023","21","20","4195","4199","10.1039/d3ob00417a","","","1.54184","CuKα","","0.0498","0.0462","","","0.1183","0.1221","","","","","","1.09","","","","has coordinates","284321","2023-06-05","04:53:06","" "7159330","12.38262","0.00019","11.76838","0.00019","14.2059","0.0002","90","","94.2755","0.0014","90","","2064.37","0.05","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 O -","- C29 H22 O -","- C116 H88 O4 -","4","1","","Ray, Subhasish; Yadav, Anup Kumar; Singh, Saurabh; Ansari, Monish Arbaz; Singh, Maya Shankar","Electronically-controlled diastereoselective synthesis of spirocycles via [4 + 2] cycloaddition of 2-arylidene-1-indenones with benzyne.","Organic & biomolecular chemistry","2023","21","20","4195","4199","10.1039/d3ob00417a","","","1.54184","CuKα","","0.0427","0.0362","","","0.0924","0.097","","","","","","1.0321","","","","has coordinates","284321","2023-06-05","04:53:06","" "7159331","12.4978","0.0004","12.7398","0.0004","26.8939","0.0008","89.765","0.002","78.137","0.002","89.937","0.002","4190.5","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H37 B31 F6 N2 S3 -","- C21 H37 B31 F6 N2 S3 -","- C84 H148 B124 F24 N8 S12 -","4","2","","Zaitsev, Andrei V.; Kiselev, Sergey S.; Smol'yakov, Alexander F.; Fedorov, Yury V.; Kononova, Elena G.; Borisov, Yurii A.; Ol'shevskaya, Valentina A.","BODIPY derivatives modified with carborane clusters: synthesis, characterization and DFT studies.","Organic & biomolecular chemistry","2023","21","19","4084","4094","10.1039/d3ob00255a","","","0.71073","MoKα","","0.1306","0.122","","","0.2832","0.287","","","","","","1.208","","","","has coordinates,has disorder","284310","2023-06-05","04:51:29","" "7159332","12.5301","0.0003","40.7622","0.0009","12.8513","0.0003","90","","90.024","0.001","90","","6563.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 B21 F7 N2 S2 -","- C19 H26 B21 F7 N2 S2 -","- C152 H208 B168 F56 N16 S16 -","8","2","","Zaitsev, Andrei V.; Kiselev, Sergey S.; Smol'yakov, Alexander F.; Fedorov, Yury V.; Kononova, Elena G.; Borisov, Yurii A.; Ol'shevskaya, Valentina A.","BODIPY derivatives modified with carborane clusters: synthesis, characterization and DFT studies.","Organic & biomolecular chemistry","2023","21","19","4084","4094","10.1039/d3ob00255a","","","0.71073","MoKα","","0.1285","0.1256","","","0.2916","0.2928","","","","","","1.227","","","","has coordinates","284310","2023-06-05","04:51:30","" "7159333","8.95724","0.00019","9.43219","0.00018","22.4623","0.0004","90","","90","","90","","1897.76","0.06","169.99","0.1","169.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Huang, Jia-Hua; Lv, Jian-Ming; Xie, Yan-Feng; Zhao, Huan; Xiao, Liang-Yan; Dai, Ping; Qin, Sheng-Ying; Hu, Dan; Gao, Hao; Yao, Xin-Sheng","Isolation of new compounds related to xyloketals biosynthesis implies an alternative pathway for furan-fused-chromene formation.","Organic & biomolecular chemistry","2023","21","20","4309","4318","10.1039/d3ob00426k","","x-ray","1.54184","CuKα","","0.0442","0.0388","","","0.1006","0.103","","","","","","1.094","","","","has coordinates","284320","2023-06-05","04:52:55","" "7159334","7.75334","0.00011","12.14604","0.00019","19.62","0.0003","90","","90","","90","","1847.66","0.05","199.99","0.1","199.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Huang, Jia-Hua; Lv, Jian-Ming; Xie, Yan-Feng; Zhao, Huan; Xiao, Liang-Yan; Dai, Ping; Qin, Sheng-Ying; Hu, Dan; Gao, Hao; Yao, Xin-Sheng","Isolation of new compounds related to xyloketals biosynthesis implies an alternative pathway for furan-fused-chromene formation.","Organic & biomolecular chemistry","2023","21","20","4309","4318","10.1039/d3ob00426k","","x-ray","1.54184","CuKα","","0.0417","0.0406","","","0.1002","0.1012","","","","","","1.089","","","","has coordinates","284320","2023-06-05","04:52:55","" "7159335","9.35263","0.00013","15.2684","0.0002","9.55302","0.00017","90","","90.5004","0.0015","90","","1364.12","0.04","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","2","","Huang, Jia-Hua; Lv, Jian-Ming; Xie, Yan-Feng; Zhao, Huan; Xiao, Liang-Yan; Dai, Ping; Qin, Sheng-Ying; Hu, Dan; Gao, Hao; Yao, Xin-Sheng","Isolation of new compounds related to xyloketals biosynthesis implies an alternative pathway for furan-fused-chromene formation.","Organic & biomolecular chemistry","2023","21","20","4309","4318","10.1039/d3ob00426k","","x-ray","1.54184","CuKα","","0.0389","0.0378","","","0.0955","0.0972","","","","","","1.059","","","","has coordinates","296876","2024-12-16","17:34:44","" "7159336","12.6389","0.0002","11.9203","0.0002","12.9914","0.0003","90","","108.143","0.002","90","","1859.97","0.06","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Huang, Jia-Hua; Lv, Jian-Ming; Xie, Yan-Feng; Zhao, Huan; Xiao, Liang-Yan; Dai, Ping; Qin, Sheng-Ying; Hu, Dan; Gao, Hao; Yao, Xin-Sheng","Isolation of new compounds related to xyloketals biosynthesis implies an alternative pathway for furan-fused-chromene formation.","Organic & biomolecular chemistry","2023","21","20","4309","4318","10.1039/d3ob00426k","","x-ray","1.54184","CuKα","","0.0442","0.04","","","0.102","0.1055","","","","","","1.028","","","","has coordinates","284320","2023-06-05","04:52:55","" "7159337","8.929","0.003","9.985","0.003","10.178","0.003","101.361","0.006","92.022","0.007","108.738","0.007","837.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H13 F3 N2 O S -","- C19 H13 F3 N2 O S -","- C38 H26 F6 N4 O2 S2 -","2","1","","Wang, Wei; Qin, Zhaoliang; Zhang, Xinhui; Zhao, Wanxiang; Yang, Wen","Catalyst-free C(sp3)-H functionalization of methyl azaarenes with heteroaromatic trifluoromethyl ketone hydrates: ""all-water"" synthesis of α-trifluoromethyl tertiary alcohols.","Organic & biomolecular chemistry","2023","21","20","4304","4308","10.1039/d3ob00566f","","","0.71073","MoKα","","0.1064","0.0932","","","0.2208","0.231","","","","","","1.058","","","","has coordinates","284316","2023-06-05","04:52:26","" "7159338","12.3698","0.0005","17.4754","0.0008","12.4146","0.0005","90","","117.668","0.002","90","","2376.76","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 Br O3 -","- C31 H21 Br O3 -","- C124 H84 Br4 O12 -","4","1","","Deng, Yi-Hang; Zhang, Chuan-Bao; Sun, Jun-Jie; Xu, Wen-Li; Fu, Ji-Ya","A regioselective [3 + 2] cycloaddition reaction of 2-benzylidene-1-indenones with functional olefins to access indanone-fused 2D/3D skeletons.","Organic & biomolecular chemistry","2023","21","21","4388","4392","10.1039/d3ob00559c","","","1.54178","CuKα","","0.1129","0.0816","","","0.202","0.2545","","","","","","1.2","","","","has coordinates","284332","2023-06-05","04:57:28","" "7159339","22.4516","0.0005","22.4516","0.0005","7.6085","0.0002","90","","90","","90","","3835.25","0.16","150","2","150","2","","","","","","","","4","P -4 21 c","P -4 2n","114","hd_fjy21","","","- C25 H19 Cl O2 -","- C25 H19 Cl O2 -","- C200 H152 Cl8 O16 -","8","1","","Deng, Yi-Hang; Zhang, Chuan-Bao; Sun, Jun-Jie; Xu, Wen-Li; Fu, Ji-Ya","A regioselective [3 + 2] cycloaddition reaction of 2-benzylidene-1-indenones with functional olefins to access indanone-fused 2D/3D skeletons.","Organic & biomolecular chemistry","2023","21","21","4388","4392","10.1039/d3ob00559c","","","1.54178","CuKα","","0.0773","0.0466","","","0.079","0.088","","","","","","1.047","","","","has coordinates","284332","2023-06-05","04:57:28","" "7159340","16.128","0.006","5.8764","0.0019","26.359","0.009","90","","90","","90","","2498.2","1.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C104 H104 N8 O16 S8 -","8","2","","He, Ying; Wang, Qing; Yin, Hongquan; Chen, Fu-Xue","Copper(I)-catalyzed electrophilic thiocyanation/dearomatization/spirocyclization of benzofurans to synthesize benzannulated spiroketals.","Organic & biomolecular chemistry","2023","21","20","4216","4219","10.1039/d3ob00438d","","","0.71073","MoKα","","0.2397","0.1322","","","0.2315","0.2698","","","","","","0.996","","","","has coordinates","284323","2023-06-05","04:53:21","" "7159341","11.094","0.01","12.199","0.012","22.35","0.02","90","","90","","90","","3025","5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H17 B N2 O Si -","- C15 H17 B N2 O Si -","- C120 H136 B8 N16 O8 Si8 -","8","1","","Tomota, Kazuki; Izumi, Yuki; Nakanishi, Kazuki; Nakamoto, Masaaki; Yoshida, Hiroto","Efficient one-pot synthesis of dan-substituted organo- and silyl-boron compounds.","Organic & biomolecular chemistry","2023","21","26","5347","5350","10.1039/d3ob00613a","","","0.71073","MoKα","","0.0697","0.042","","","0.0982","0.1121","","","","","","1.024","","","","has coordinates","285516","2023-08-05","09:31:52","" "7159342","11.814","0.01","7.317","0.007","24.063","0.019","90","","100.468","0.012","90","","2045","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 F N O3 -","- C26 H18 F N O3 -","- C104 H72 F4 N4 O12 -","4","1","","Banda, Bhanu Prasad; Medishetti, Nagaraju; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah","One-pot domino synthesis of five- and six-membered fused dihydropyridines promoted by PPh3-NBS in aqueous medium.","Organic & biomolecular chemistry","2023","21","21","4434","4439","10.1039/d3ob00472d","","","0.71073","MoKα","","0.1528","0.066","","","0.1366","0.1729","","","","","","1.017","","","","has coordinates","284334","2023-06-05","04:57:41","" "7159343","10.1865","0.0002","11.3004","0.0002","19.1635","0.0004","90","","103.307","0.002","90","","2146.71","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 F2 N3 -","- C27 H19 F2 N3 -","- C108 H76 F8 N12 -","4","1","","Guo, Honghong; Lin, Jianying; Liu, Qiang; Li, Xing","Construction of 1,2-dihydro-1,3,5-triazines via reactions involving amidines.","Organic & biomolecular chemistry","2023","21","20","4269","4275","10.1039/d3ob00283g","","x-ray","1.54184","CuKα","","0.0638","0.0578","","","0.1521","0.1584","","","","","","1.097","","","","has coordinates","284322","2023-06-05","04:53:14","" "7159344","9.5634","0.0005","33.8247","0.0015","12.595","0.0007","90","","111.385","0.006","90","","3793.7","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 -","- C23 H21 N3 -","- C184 H168 N24 -","8","2","","Guo, Honghong; Lin, Jianying; Liu, Qiang; Li, Xing","Construction of 1,2-dihydro-1,3,5-triazines via reactions involving amidines.","Organic & biomolecular chemistry","2023","21","20","4269","4275","10.1039/d3ob00283g","","","0.71073","MoKα","","0.1085","0.0702","","","0.1913","0.2194","","","","","","1.049","","","","has coordinates","295677","2024-10-30","18:34:33","" "7159345","10.2906","0.0008","10.4146","0.0008","10.5305","0.0007","115.04","0.003","94.445","0.003","99.671","0.003","993.93","0.13","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C25 H31 N O2 -","- C25 H31 N O2 -","- C50 H62 N2 O4 -","2","1","","Harvey, Freya M.; Heidecker, Alexandra H.; Merten, Christian; Bach, Thorsten","Diastereoselective, Lewis acid-mediated Diels-Alder reactions of allenoic acid derivatives and 1,3-cyclopentadienes.","Organic & biomolecular chemistry","2023","21","21","4422","4428","10.1039/d3ob00598d","","x-ray","0.71073","MoKα","","0.0527","0.048","","","0.1224","0.1274","","","","","","1.075","","","","has coordinates","284337","2023-06-05","04:58:17","" "7159346","10.1902","0.00011","11.29931","0.00013","21.3624","0.0003","90","","90","","90","","2459.71","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Br N2 O4 -","- C27 H23 Br N2 O4 -","- C108 H92 Br4 N8 O16 -","4","1","","Li, Kuiliang; Gao, Siyu; Zha, Zhenggen; Wang, Zhiyong","Construction of chiral N,O-hemiaminals via a copper-catalyzed enantioselective Michael/N-hemiacetalization cascade reaction.","Organic & biomolecular chemistry","2023","21","21","4404","4408","10.1039/d3ob00542a","","x-ray","1.54184","CuKα","","0.0326","0.0322","","","0.0816","0.082","","","","","","1.074","","","","has coordinates","284333","2023-06-05","04:57:34","" "7159347","8.4782","0.0013","14.044","0.002","14.818","0.002","90","","90","","90","","1764.3","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br2 N O2 -","- C18 H17 Br2 N O2 -","- C72 H68 Br8 N4 O8 -","4","1","","Zhang, Huaxin; Xiong, Yongge; Bai, Jiang; Yang, Ruchun; Song, Xian-Rong; Xiao, Qiang","Synthesis of gem-dibromo 1,3-oxazines by NBS-mediated electrophilic cyclization of propargylic amides.","Organic & biomolecular chemistry","2023","21","22","4578","4582","10.1039/d3ob00623a","","","0.71073","MoKα","","0.0424","0.0302","","","0.0599","0.0629","","","","","","0.919","","","","has coordinates","284961","2023-07-05","10:51:35","" "7159348","12.2907","0.0004","9.6187","0.0002","29.8472","0.0007","90","","97.427","0.002","90","","3498.95","0.16","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 Cl N6 O2 -","- C39 H39 Cl N6 O2 -","- C156 H156 Cl4 N24 O8 -","4","1","","Gond, Sarita; Yadav, Pranjalee; Singh, Aayoosh; Garai, Somenath; Shekher, Anusmita; Gupta, Subash Chandra; Singh, Vinod P.","A colorimetric and 'OFF-ON' fluorometric chemosensor based on a rhodamine-pyrazole derivative for the detection of Al3+, Fe3+and Cr3+metal ions, and its intracellular application.","Organic & biomolecular chemistry","2023","21","21","4482","4490","10.1039/d3ob00434a","","","0.71073","MoKα","","0.1082","0.0732","","","0.2133","0.2474","","","","","","1.063","","","","has coordinates,has disorder","284331","2023-06-05","04:57:21","" "7159349","9.1365","0.0002","21.846","0.0004","10.2421","0.0002","90","","116.044","0.001","90","","1836.7","0.07","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O2 S -","- C22 H18 N2 O2 S -","- C88 H72 N8 O8 S4 -","4","1","","Zhang, Tao; Ni, Yifeng; Sun, Jiangtao","Copper-catalyzed reaction of benzoxazinanones with sulfilimines: access to 2-ethynyl-benzoimidazoles via an abnormal skeletal rearrangement.","Organic & biomolecular chemistry","2023","21","22","4583","4586","10.1039/d3ob00569k","","","1.34139","GaKα","","0.0389","0.0351","","","0.0922","0.0948","","","","","","1.05","","","","has coordinates","284966","2023-07-05","10:54:22","" "7159350","9.1583","0.0002","21.877","0.0003","10.2542","0.0002","90","","114.233","0.002","90","","1873.46","0.07","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 N3 O4 S -","- C21 H15 N3 O4 S -","- C84 H60 N12 O16 S4 -","4","1","","Zhang, Tao; Ni, Yifeng; Sun, Jiangtao","Copper-catalyzed reaction of benzoxazinanones with sulfilimines: access to 2-ethynyl-benzoimidazoles via an abnormal skeletal rearrangement.","Organic & biomolecular chemistry","2023","21","22","4583","4586","10.1039/d3ob00569k","","","1.54184","CuKα","","0.04","0.038","","","0.1045","0.106","","","","","","1.054","","","","has coordinates","284966","2023-07-05","10:54:22","" "7159351","15.1655","0.0005","10.6137","0.0004","30.1233","0.001","90","","100.943","0.0017","90","","4760.5","0.3","180","","180","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H58 O12 S4 -","- C45.0008 H58.0018 O12.0002 S4.0002 -","- C180.003 H232.007 O48.0008 S16.0008 -","4","1","","Broftová, N; Landovský, T; Dvořáková, H; Eigner, V.; Krupička, M; Lhoták, P","Stereoselective oxidation of phenoxathiin-based thiacalix[4]arenes - stereomutation of sulfoxide groups.","Organic & biomolecular chemistry","2023","21","22","4620","4630","10.1039/d3ob00530e","","","1.54178","CuKα","","0.0575","0.0482","","0.1345","0.1269","0.1345","","","","","","0.9864","","","","has coordinates,has disorder","284965","2023-07-05","10:53:36","" "7159352","12.4947","0.0005","12.7653","0.0006","19.6418","0.0008","92.4959","0.0017","90.0704","0.0016","112.64","0.0015","2888.1","0.2","180","","180","","","","101","","","","","5","P -1","-P 1","2","","","","- C51.88 H70.34 Cl3.47 O12.16 S4 -","- C51.882 H70.337 Cl3.472 O12.163 S4 -","- C103.764 H140.674 Cl6.944 O24.326 S8 -","2","1","","Broftová, N; Landovský, T; Dvořáková, H; Eigner, V.; Krupička, M; Lhoták, P","Stereoselective oxidation of phenoxathiin-based thiacalix[4]arenes - stereomutation of sulfoxide groups.","Organic & biomolecular chemistry","2023","21","22","4620","4630","10.1039/d3ob00530e","","","0.71073","MoKα","","0.0716","0.0569","","0.1685","0.1435","0.1685","","","","","","0.9965","","","","has coordinates,has disorder","284965","2023-07-05","10:53:47","" "7159353","13.7722","0.0005","14.5337","0.0005","25.6391","0.0009","79.646","0.002","88.001","0.002","78.359","0.002","4944.5","0.3","180","","180","","","","101","","","","","4","P -1","-P 1","2","","","","- C47.18 H62.72 O12.18 S4 -","- C47.1805 H62.722 O12.1805 S4 -","- C188.722 H250.888 O48.722 S16 -","4","2","","Broftová, N; Landovský, T; Dvořáková, H; Eigner, V.; Krupička, M; Lhoták, P","Stereoselective oxidation of phenoxathiin-based thiacalix[4]arenes - stereomutation of sulfoxide groups.","Organic & biomolecular chemistry","2023","21","22","4620","4630","10.1039/d3ob00530e","","","1.54178","CuKα","","0.0841","0.0748","","0.1911","0.1832","0.1911","","","","","","0.9947","","","","has coordinates,has disorder","284965","2023-07-05","10:53:52","" "7159354","14.1073","0.0002","17.6934","0.0005","19.5984","0.0004","70.921","0.002","89.762","0.0014","83.5928","0.0017","4591.56","0.18","95","","95","","","","101","","","","","4","P -1","-P 1","2","","","","- C43 H52 O12 S4 -","- C43 H52 O12 S4 -","- C172 H208 O48 S16 -","4","2","","Broftová, N; Landovský, T; Dvořáková, H; Eigner, V.; Krupička, M; Lhoták, P","Stereoselective oxidation of phenoxathiin-based thiacalix[4]arenes - stereomutation of sulfoxide groups.","Organic & biomolecular chemistry","2023","21","22","4620","4630","10.1039/d3ob00530e","","","1.54184","CuKα","","0.0588","0.0507","","0.136","0.1286","0.136","","","","","","1.001","","","","has coordinates,has disorder","284965","2023-07-05","10:54:05","" "7159355","11.7275","0.0007","35.321","0.002","12.2803","0.0006","90","","101.324","0.0019","90","","4987.8","0.5","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C49 H64 O10 S4 -","- C49.003 H64.009 O10 S4 -","- C196.012 H256.036 O40 S16 -","4","1","","Broftová, N; Landovský, T; Dvořáková, H; Eigner, V.; Krupička, M; Lhoták, P","Stereoselective oxidation of phenoxathiin-based thiacalix[4]arenes - stereomutation of sulfoxide groups.","Organic & biomolecular chemistry","2023","21","22","4620","4630","10.1039/d3ob00530e","","","0.71073","MoKα","","0.0512","0.0413","","0.104","0.0981","0.104","","","","","","1.03","","","","has coordinates,has disorder","284965","2023-07-05","10:54:10","" "7159356","6.4411","0.0008","30.63","0.004","8.013","0.0009","90","","101.461","0.006","90","","1549.4","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C68 H72 N8 O20 -","4","2","","Mortensen, Kim T.; Wong, Denedy S. Y.; King, Thomas A.; Sore, Hannah F.; Spring, David R.","Synthesis of sp3-rich heterocyclic frameworks by a divergent synthesis strategy.","Organic & biomolecular chemistry","2023","21","22","4591","4595","10.1039/d3ob00351e","","","1.54178","CuKα","","0.1657","0.0748","","","0.1326","0.1673","","","","","","1.006","","","","has coordinates","284962","2023-07-05","10:52:03","" "7159357","11.1319","0.0006","12.1324","0.0006","12.4463","0.0006","68.619","0.002","81.912","0.002","65.651","0.002","1425.95","0.13","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 F3 N5 O6 S -","- C24 H32 F3 N5 O6 S -","- C48 H64 F6 N10 O12 S2 -","2","1","","Luo, Zhengshan; Xing, Zequn; Gao, Rui; Han, Yufang; Ren, Jun; Wang, Zhongwen","Visible-light organophotoredox-mediated intermolecular formal [4 + 2] cycloadditions of arylcyclobutylamines with olefins.","Organic & biomolecular chemistry","2023","21","22","4637","4642","10.1039/d3ob00527e","","x-ray","0.71073","MoKα","","0.1261","0.0715","","","0.1884","0.2266","","","","","","1.04","","","","has coordinates","284963","2023-07-05","10:52:38","" "7159358","8.2123","0.0004","8.7897","0.0003","30.3416","0.0012","90","","90","","90","","2190.17","0.16","193","","193","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N3 -","- C12 H15 N3 -","- C96 H120 N24 -","8","1","","Luo, Zhengshan; Xing, Zequn; Gao, Rui; Han, Yufang; Ren, Jun; Wang, Zhongwen","Visible-light organophotoredox-mediated intermolecular formal [4 + 2] cycloadditions of arylcyclobutylamines with olefins.","Organic & biomolecular chemistry","2023","21","22","4637","4642","10.1039/d3ob00527e","","x-ray","0.71073","MoKα","","0.0975","0.0684","","","0.1396","0.1531","","","","","","1.154","","","","has coordinates","284963","2023-07-05","10:52:40","" "7159359","11.3145","0.0015","4.9401","0.0006","33.363","0.004","90","","92.022","0.004","90","","1863.7","0.4","192.9","","192.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 F3 N2 O -","- C21 H23 F3 N2 O -","- C84 H92 F12 N8 O4 -","4","1","","Luo, Zhengshan; Xing, Zequn; Gao, Rui; Han, Yufang; Ren, Jun; Wang, Zhongwen","Visible-light organophotoredox-mediated intermolecular formal [4 + 2] cycloadditions of arylcyclobutylamines with olefins.","Organic & biomolecular chemistry","2023","21","22","4637","4642","10.1039/d3ob00527e","","x-ray","0.71073","MoKα","","0.1407","0.067","","","0.1408","0.1758","","","","","","1.028","","","","has coordinates","284963","2023-07-05","10:52:40","" "7159360","13.566","0.0003","13.566","0.0003","18.1175","0.0006","90","","90","","90","","3334.28","0.15","113.15","","113.15","","","","","","","","","5","I -4","I -4","82","","(1S,2R,2'R,4R)-2'-((4-(trifluoromethyl)phenyl)amino)spiro[bicyclo[2.2.1]heptane-2,1'-cyclohexan]-3-one","","- C19 H22 F3 N O -","- C19 H22 F3 N O -","- C152 H176 F24 N8 O8 -","8","1","","Luo, Zhengshan; Xing, Zequn; Gao, Rui; Han, Yufang; Ren, Jun; Wang, Zhongwen","Visible-light organophotoredox-mediated intermolecular formal [4 + 2] cycloadditions of arylcyclobutylamines with olefins.","Organic & biomolecular chemistry","2023","21","22","4637","4642","10.1039/d3ob00527e","","x-ray","0.71073","MoKα","","0.0405","0.0368","","","0.083","0.0859","","","","","","1.037","","","","has coordinates","284963","2023-07-05","10:52:40","" "7159361","15.245","0.004","18.74","0.005","8.084","0.002","90","","100.44","0.007","90","","2271.3","1","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H17 N O2 S2 -","- C31 H17 N O2 S2 -","- C124 H68 N4 O8 S8 -","4","0.5","","Ammon, Erich; Heine, Paul; Cordero, Miguel Andre Argüello; Lochbrunner, Stefan; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Dibenzoacridines: synthesis by alkyne-carbonyl-metathesis and properties.","Organic & biomolecular chemistry","2023","21","21","4504","4517","10.1039/d3ob00407d","","","0.71073","MoKα","","0.0667","0.046","","","0.113","0.1265","","","","","","1.025","","","","has coordinates","284336","2023-06-05","04:57:58","" "7159362","7.2154","0.0011","12.0896","0.0017","27.443","0.004","90","","96.196","0.004","90","","2379.9","0.6","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H21 N O2 -","- C35 H21 N O2 -","- C140 H84 N4 O8 -","4","1","","Ammon, Erich; Heine, Paul; Cordero, Miguel Andre Argüello; Lochbrunner, Stefan; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Dibenzoacridines: synthesis by alkyne-carbonyl-metathesis and properties.","Organic & biomolecular chemistry","2023","21","21","4504","4517","10.1039/d3ob00407d","","","0.71073","MoKα","","0.0816","0.0518","","","0.1252","0.1449","","","","","","1.015","","","","has coordinates","284336","2023-06-05","04:58:08","" "7159363","10.0642","0.0007","7.3128","0.0005","23.5961","0.0016","90","","97.735","0.002","90","","1720.8","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C84 H72 N8 O16 -","4","1","","Das, Jonali; Gogoi, Abhijit; Borah, Biraj Jyoti; Das, Sajal Kumar","An epoxide-opening cyclization/double Smiles rearrangement cascade approach to N-aryl-1,4-benzoxazines and N-arylindolines.","Organic & biomolecular chemistry","2023","21","23","4755","4759","10.1039/d3ob00440f","","","0.71073","MoKα","","0.0412","0.0343","","","0.0833","0.0868","","","","","","0.989","","","","has coordinates","284970","2023-07-05","10:56:16","" "7159364","10.1807","0.0003","21.2316","0.0005","16.3707","0.0004","90","","104.958","0.003","90","","3418.67","0.16","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H10 F6 N4 -","- C16 H10 F6 N4 -","- C128 H80 F48 N32 -","8","1","","Lin, Bo; Yao, Yunfei; Wu, Minze; Qin, Lu; Chen, Shouxiong; You, Yi; Weng, Zhiqiang","Synthesis of 2-trifluoromethyl benzimidazoles, benzoxazoles, and benzothiazoles via condensation of diamines or amino(thio)phenols with CF3CN.","Organic & biomolecular chemistry","2023","21","23","4788","4793","10.1039/d3ob00517h","","x-ray","1.54184","CuKα","","0.1253","0.0998","","","0.2869","0.3057","","","","","","1.07","","","","has coordinates,has disorder","284971","2023-07-05","10:57:01","" "7159365","29.3359","0.0004","9.2413","0.0001","38.2126","0.0006","90","","90.052","0.001","90","","10359.5","0.2","293","2","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C8 H8 Br F3 N4 -","- C8 H8 Br F3 N4 -","- C256 H256 Br32 F96 N128 -","32","8","","Lin, Bo; Yao, Yunfei; Wu, Minze; Qin, Lu; Chen, Shouxiong; You, Yi; Weng, Zhiqiang","Synthesis of 2-trifluoromethyl benzimidazoles, benzoxazoles, and benzothiazoles via condensation of diamines or amino(thio)phenols with CF3CN.","Organic & biomolecular chemistry","2023","21","23","4788","4793","10.1039/d3ob00517h","","","1.54178","CuKα","","0.1346","0.1209","","","0.344","0.3618","","","","","","1.414","","","","has coordinates","284971","2023-07-05","10:57:16","" "7159366","6.5034","0.0009","20.107","0.003","9.4107","0.0013","90","","108.768","0.006","90","","1165.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","","Samuel Rajan, Ida Angel Priya; Rajendran, Saravanakumar","Amidic resonance not a barrier for transamidation of N-pivaloyl activated amides: catalyst, base and additive free conditions.","Organic & biomolecular chemistry","2023","21","23","4760","4765","10.1039/d3ob00418j","","","0.71073","MoKα","","0.06","0.0451","","","0.1087","0.1162","","","","","","1.068","","","","has coordinates","284969","2023-07-05","10:55:41","" "7159367","8.6369","0.0001","15.1727","0.0002","13.7486","0.0002","90","","92.342","0.001","90","","1800.18","0.04","120","0.1","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","(1R,2R)-N,N?-Bis(salicylidene)-1,2-cyclohexanediaminoiron(III) chloride","","- C20 H20 Cl Fe N2 O2 -","- C20 H20 Cl Fe N2 O2 -","- C80 H80 Cl4 Fe4 N8 O8 -","4","2","","Hansen, Nicolai S. B.; Monda, Fabrizio; Bro, Frederik Simonsen; Liu, Xiyue; Ahlquist, Mårten S G; Madsen, Robert","Development and mechanistic investigation of the dehydrogenation of alcohols with an iron(III) salen catalyst.","Organic & biomolecular chemistry","2023","21","23","4794","4800","10.1039/d3ob00466j","","x-ray","1.54184","CuKα","","0.0279","0.0266","","","0.0682","0.0691","","","","","","1.037","","","","has coordinates","284973","2023-07-05","10:58:18","" "7159368","8.6002","0.0016","15.401","0.003","10.5083","0.0019","90","","92.277","0.005","90","","1390.7","0.5","298.15","","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H32 N O P -","- C34 H32 N O P -","- C68 H64 N2 O2 P2 -","2","1","","Su, Qin; Hou, Chuan-Jin; Wei, De-Quan; Qin, Hao; Liang, Ding-Hua; Hu, Xiang-Ping","New P,Nsp3 ligands for palladium-catalyzed asymmetric allylic substitutions.","Organic & biomolecular chemistry","2023","21","23","4874","4880","10.1039/d3ob00519d","","","1.54178","CuKα","","0.0291","0.0289","","","0.0788","0.079","","","","","","1.039","","","","has coordinates","284972","2023-07-05","10:57:47","" "7159369","12.798","0.0002","18.4962","0.0003","8.688","0.0001","90","","91.838","0.0014","90","","2055.52","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 F N O6 -","- C22 H22 F N O6 -","- C88 H88 F4 N4 O24 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0436","0.0381","","0.1043","0.0977","0.1043","","","","","","0.9978","","","","has coordinates","284974","2023-07-05","10:59:32","" "7159370","8.2739","0.0004","10.4856","0.0006","13.0102","0.0007","85.539","0.004","72.759","0.005","69.075","0.005","1006.41","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 F N O6 -","- C22 H22 F N O6 -","- C44 H44 F2 N2 O12 -","2","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0606","0.0427","","0.1125","0.0987","0.1121","","","","","","0.9969","","","","has coordinates","284974","2023-07-05","10:59:35","" "7159371","7.7501","0.0002","11.9848","0.0003","13.8497","0.0003","99.82","0.002","100.855","0.002","94.018","0.002","1237.92","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 F2 N2 O4 -","- C28 H28 F2 N2 O4 -","- C56 H56 F4 N4 O8 -","2","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0361","0.0336","","0.0911","0.0886","0.0911","","","","","","1.0021","","","","has coordinates","284974","2023-07-05","10:59:35","" "7159372","18.3885","0.0004","8.1423","0.0001","19.1867","0.0005","90","","117.342","0.003","90","","2551.78","0.12","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N2 O4 -","- C30 H34 N2 O4 -","- C120 H136 N8 O16 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0528","0.0464","","0.1352","0.1312","0.123","","","","","","1.0137","","","","has coordinates","284974","2023-07-05","10:59:35","" "7159373","10.8376","0.0004","16.1029","0.0005","14.4057","0.0005","90","","106.348","0.004","90","","2412.39","0.15","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C112 H120 N8 O16 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0581","0.0438","","0.1175","0.1043","0.1167","","","","","","1.0052","","","","has coordinates,has disorder","284974","2023-07-05","10:59:35","" "7159374","9.4512","0.0001","11.0365","0.0002","28.8706","0.0004","90","","93.6424","0.0014","90","","3005.36","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 N2 O7 -","- C33 H36 N2 O7 -","- C132 H144 N8 O28 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0417","0.0347","","0.0927","0.0854","0.0927","","","","","","1.0011","","","","has coordinates","284974","2023-07-05","10:59:35","" "7159375","9.7028","0.0003","10.3166","0.0002","17.6915","0.0004","78.751","0.002","76.109","0.002","69.254","0.002","1595.8","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H40 N2 O9 -","- C35 H40 N2 O9 -","- C70 H80 N4 O18 -","2","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0351","0.0321","","0.0842","0.0811","0.0836","","","","","","0.9937","","","","has coordinates","284974","2023-07-05","10:59:35","" "7159376","20.3461","0.0007","7.4845","0.0002","20.4659","0.0007","90","","108.544","0.004","90","","2954.74","0.18","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N2 O4 -","- C36 H34 N2 O4 -","- C144 H136 N8 O16 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0737","0.0544","","0.1504","0.1329","0.1504","","","","","","1.0153","","","","has coordinates","284974","2023-07-05","10:59:35","" "7159377","9.9393","0.0002","12.8109","0.0007","13.7065","0.0006","72.892","0.004","83.254","0.003","82.124","0.003","1646.81","0.13","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H42 N2 O7 -","- C36 H42 N2 O7 -","- C72 H84 N4 O14 -","2","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0465","0.0422","","0.1117","0.1068","0.1117","","","","","","1.0023","","","","has coordinates,has disorder","284974","2023-07-05","10:59:35","" "7159378","10.1492","0.0004","11.6174","0.0006","11.7103","0.0005","80.333","0.004","72.281","0.004","86.447","0.004","1296.47","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cl2 N2 O4 -","- C28 H28 Cl2 N2 O4 -","- C56 H56 Cl4 N4 O8 -","2","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0367","0.0336","","0.089","0.0858","0.089","","","","","","0.9936","","","","has coordinates","284974","2023-07-05","10:59:35","" "7159379","11.9604","0.0001","10.7261","0.0001","23.5537","0.0002","90","","95.4393","0.0007","90","","3008.06","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 F2 N2 O7 -","- C33 H34 F2 N2 O7 -","- C132 H136 F8 N8 O28 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0451","0.043","","0.1179","0.1149","0.1179","","","","","","1.0022","","","","has coordinates","284974","2023-07-05","10:59:35","" "7159380","10.268","0.0004","11.6652","0.0004","11.8384","0.0004","80.247","0.003","71.111","0.003","86.325","0.003","1322.17","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Br2 N2 O4 -","- C28 H28 Br2 N2 O4 -","- C56 H56 Br4 N4 O8 -","2","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0274","0.0251","","0.0665","0.0644","0.0665","","","","","","1.0078","","","","has coordinates","284974","2023-07-05","10:59:35","" "7159381","9.7168","0.0001","11.1041","0.0001","28.6225","0.0003","90","","92.0001","0.001","90","","3086.38","0.05","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 F2 N2 O7 -","- C33 H34 F2 N2 O7 -","- C132 H136 F8 N8 O28 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0437","0.0374","","0.1018","0.095","0.1018","","","","","","1.0056","","","","has coordinates","284974","2023-07-05","10:59:35","" "7159382","8.2381","0.0002","9.8787","0.0003","25.0484","0.0006","90.026","0.002","92.03","0.002","91.303","0.002","2036.67","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N2 O9 S2 -","- C18 H18 N2 O9 S2 -","- C72 H72 N8 O36 S8 -","4","2","","Wade, Peter A.; Tandon, Ruchi; Carroll, Patrick J.","Cyclic β-hydroxy-α-nitrosulfone isomers readily interconvert via open-chain aldehyde forms.","Organic & biomolecular chemistry","2023","21","24","5033","5039","10.1039/d3ob00349c","","x-ray","1.54184","CuKα","","0.0579","0.0554","","","0.1538","0.1561","","","","","","1.063","","","","has coordinates","284956","2023-07-05","10:48:34","" "7159383","5.6195","0.0005","18.5139","0.0015","12.9119","0.001","90","","99.887","0.003","90","","1323.39","0.19","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F3 N2 -","- C16 H11 F3 N2 -","- C64 H44 F12 N8 -","4","1","","Zhang, Nan; Ma, Hai; Cheung, Chi Wai; Zhang, Fa-Guang; Jasiński, Marcin; Ma, Jun-An; Nie, Jing","Regioselective [3 + 2] cycloaddition of di/trifluoromethylated hydrazonoyl chlorides with fluorinated nitroalkenes: a facile access to 3-di/trifluoroalkyl-5-fluoropyrazoles.","Organic & biomolecular chemistry","2023","21","24","5040","5045","10.1039/d3ob00644a","","x-ray","0.71073","MoKα","","0.0819","0.0465","","","0.0961","0.1091","","","","","","1.027","","","","has coordinates","284957","2023-07-05","10:48:42","" "7159384","28.851","0.0017","15.3005","0.0009","12.0037","0.0007","90","","96.747","0.002","90","","5262.2","0.5","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C65 H63 F N3 O6 Rh -","- C61 H55 F N3 O4 Rh -","- C244 H220 F4 N12 O16 Rh4 -","4","1","","Dickinson, Cody F.; Yap, Glenn P. A.; Tius, Marcus A.","Anion-accelerated asymmetric Nazarov cyclization: access to vicinal all-carbon quaternary stereocenters.","Organic & biomolecular chemistry","2023","21","24","5014","5020","10.1039/d3ob00735a","","","1.54178","CuKα","","0.0583","0.0506","","","0.1296","0.134","","","","","","1.043","","","","has coordinates","284960","2023-07-05","10:50:42","" "7159385","6.7321","0.0002","9.8995","0.0003","41.9029","0.0012","90","","90","","90","","2792.59","0.14","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 O7 -","- C32 H40 O7 -","- C128 H160 O28 -","4","1","","Dickinson, Cody F.; Yap, Glenn P. A.; Tius, Marcus A.","Anion-accelerated asymmetric Nazarov cyclization: access to vicinal all-carbon quaternary stereocenters.","Organic & biomolecular chemistry","2023","21","24","5014","5020","10.1039/d3ob00735a","","","1.54178","CuKα","","0.0622","0.0505","","","0.1025","0.1059","","","","","","1.199","","","","has coordinates","284960","2023-07-05","10:50:47","" "7159386","6.4651","0.0002","9.9755","0.0003","41.8034","0.0012","90","","90","","90","","2696.01","0.14","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 O7 -","- C31 H38 O7 -","- C124 H152 O28 -","4","1","","Dickinson, Cody F.; Yap, Glenn P. A.; Tius, Marcus A.","Anion-accelerated asymmetric Nazarov cyclization: access to vicinal all-carbon quaternary stereocenters.","Organic & biomolecular chemistry","2023","21","24","5014","5020","10.1039/d3ob00735a","","","1.54178","CuKα","","0.03","0.0285","","","0.0694","0.0704","","","","","","1.09","","","","has coordinates","284960","2023-07-05","10:50:51","" "7159387","14.5478","0.0012","9.6153","0.0008","10.2086","0.0009","90","","101.992","0.004","90","","1396.8","0.2","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F3 N3 O -","- C16 H10 F3 N3 O -","- C64 H40 F12 N12 O4 -","4","1","","Chi, Rong; Wu, Jia-Xue; Li, Da-Cheng; Dou, Jian-Min; Wang, Huai-Wei","RhIII-promoted directed C-H N-heteroarylation of 2-pyridones.","Organic & biomolecular chemistry","2023","21","25","5288","5296","10.1039/d3ob00578j","","","0.71073","MoKα","","0.1186","0.077","","","0.2114","0.2344","","","","","","1.101","","","","has coordinates","284968","2023-07-05","10:55:06","" "7159388","10.2811","0.0005","14.3963","0.0006","10.3695","0.0004","90","","116.722","0.001","90","","1370.87","0.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 F3 N2 O2 S -","- C13 H13 F3 N2 O2 S -","- C52 H52 F12 N8 O8 S4 -","4","1","","Prasad, Madavi S.; Bharani, Sankar; Sivaprakash, Murugesan; Vadivelu, Prabha; Kumar, Durairajan Siva Sundara; Chowhan, L. Raju","N-2,2,2-Trifluoroethylisatin ketimine as a 1,2-dipolarophile for [3 + 2]-addition to access optically pure spirothiazolidine oxindoles.","Organic & biomolecular chemistry","2023","21","24","4972","4976","10.1039/d3ob00685a","","","0.71073","MoKα","","0.0605","0.046","","","0.113","0.125","","","","","","1.039","","","","has coordinates","284954","2023-07-05","10:48:19","" "7159389","5.5623","0.0011","18.321","0.003","9.2234","0.0017","90","","91.534","0.016","90","","939.6","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H8 F3 N O -","- C10 H8 F3 N O -","- C40 H32 F12 N4 O4 -","4","2","","Wang, Nana; Du, Youlong; Mei, Haibo; Escorihuela, Jorge; Han, Jianlin","A Cu-promoted reaction of β-keto trifluoromethyl amines enabling stereoselective synthesis of trifluoromethylated aziridines.","Organic & biomolecular chemistry","2023","21","24","4988","4992","10.1039/d3ob00714f","","x-ray","0.71073","MoKα","","0.1106","0.0903","","","0.2458","0.2699","","","","","","1.053","","","","has coordinates","284955","2023-07-05","10:48:26","" "7159390","14.636","0.003","9.854","0.002","16.905","0.003","90","","96.34","0.03","90","","2423.2","0.8","290","","290","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 N2 O5 S -","- C27 H24 N2 O5 S -","- C108 H96 N8 O20 S4 -","4","1","","Yavari, Issa; Mohsenzadeh, Ramin; Ravaghi, Parisa; Safaei, Maryam","Synthesis of pyrrolidin-2-ylidenes and pyrrol-2-ylidenes via 1,3-dipolar cycloaddition of H-bond-assisted azomethine ylides to nitrostyrenes.","Organic & biomolecular chemistry","2023","21","25","5265","5273","10.1039/d3ob00725a","","x-ray","0.71073","MoKα","","0.0627","0.0591","","","0.1577","0.1609","","","","","","1.16","","","","has coordinates","284967","2023-07-05","10:54:56","" "7159391","8.5856","0.0001","12.1115","0.0001","21.1498","0.0001","90","","90","","90","","2199.25","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N3 O6 S -","- C22 H21 N3 O6 S -","- C88 H84 N12 O24 S4 -","4","1","","Lin, Xing; Zhang, Dajun; Li, Jing; Zhang, Lei","Catalyst- and solvent-free regioselective ring opening of aziridines with amines: application in the gram-scale synthesis of the α,β-diamino propionic derivative, aspergillomarasmine A.","Organic & biomolecular chemistry","2023","21","24","4977","4981","10.1039/d3ob00722g","","x-ray","1.54184","CuKα","","0.0259","0.0257","","","0.0682","0.0683","","","","","","1.041","","","","has coordinates","284958","2023-07-05","10:49:00","" "7159392","10.3479","0.0003","10.5057","0.0003","11.7663","0.0003","93.409","0.002","114.609","0.003","95.175","0.002","1151.55","0.06","299.07","","299.07","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O5 S -","- C24 H25 N O5 S -","- C48 H50 N2 O10 S2 -","2","1","","Debnath, Shubham; Chauhan, Sachin; Kumara Swamy, K. C.","(3 + 3) Annulation of acetoxy allenoates with enolisable carbonyl substrates leading to fused pyrans.","Organic & biomolecular chemistry","2023","21","24","5021","5032","10.1039/d3ob00597f","","x-ray","0.71073","MoKα","","0.1099","0.0656","","","0.1731","0.2083","","","","","","1.041","","","","has coordinates","284959","2023-07-05","10:49:30","" "7159393","11.7617","0.0004","21.8252","0.0008","9.9033","0.0003","90","","107.445","0.004","90","","2425.26","0.15","300.7","","300.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N O6 -","- C27 H29 N O6 -","- C108 H116 N4 O24 -","4","1","","Debnath, Shubham; Chauhan, Sachin; Kumara Swamy, K. C.","(3 + 3) Annulation of acetoxy allenoates with enolisable carbonyl substrates leading to fused pyrans.","Organic & biomolecular chemistry","2023","21","24","5021","5032","10.1039/d3ob00597f","","x-ray","0.71073","MoKα","","0.1003","0.0546","","","0.1344","0.1573","","","","","","1.053","","","","has coordinates","284959","2023-07-05","10:49:34","" "7159394","8.239","0.0002","8.5305","0.0002","12.8575","0.0003","72.914","0.002","83.275","0.002","75.314","0.002","834.67","0.04","297.1","","297.1","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C42 H36 O8 -","2","1","","Debnath, Shubham; Chauhan, Sachin; Kumara Swamy, K. C.","(3 + 3) Annulation of acetoxy allenoates with enolisable carbonyl substrates leading to fused pyrans.","Organic & biomolecular chemistry","2023","21","24","5021","5032","10.1039/d3ob00597f","","x-ray","0.71073","MoKα","","0.0538","0.0416","","","0.1079","0.117","","","","","","1.053","","","","has coordinates","284959","2023-07-05","10:49:45","" "7159395","10.5236","0.0003","11.4554","0.0005","12.9859","0.0004","100.268","0.003","113.577","0.003","98.024","0.003","1372.68","0.1","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H28 N2 O3 -","- C36 H28 N2 O3 -","- C72 H56 N4 O6 -","2","1","","Debnath, Shubham; Chauhan, Sachin; Kumara Swamy, K. C.","(3 + 3) Annulation of acetoxy allenoates with enolisable carbonyl substrates leading to fused pyrans.","Organic & biomolecular chemistry","2023","21","24","5021","5032","10.1039/d3ob00597f","","x-ray","0.71073","MoKα","","0.276","0.1228","","","0.2528","0.4444","","","","","","1.042","","","","has coordinates","284959","2023-07-05","10:50:11","" "7159396","5.7583","0.0002","10.0636","0.0004","12.6561","0.0005","66.988","0.001","86.953","0.001","87.639","0.001","673.93","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Cl6 F4 N2 O2 -","- C22 H22 Cl6 F4 N2 O2 -","- C22 H22 Cl6 F4 N2 O2 -","1","0.5","","Žabka, Matej; Clayden, Jonathan","Conformational preference in difluoroacetamide oligomers: probing the potential for foldamers with C-H⋯O hydrogen bonds.","Organic & biomolecular chemistry","2023","21","29","5939","5943","10.1039/d3ob00811h","","x-ray","0.71073","MoKα","","0.033","0.03","","","0.0676","0.0693","","","","","","1.032","","","","has coordinates","285496","2023-08-05","09:28:16","" "7159397","11.1141","0.0004","14.4848","0.0006","20.8204","0.0008","90","","90","","90","","3351.8","0.2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C160 H168 N8 O24 -","8","1","","Tian, Guang; Jin, Wei-Li; Qin, Chuanguang; Wang, Jie","Convenient synthesis of N-alkyl-3,1-benzoxazin-2-ones from carbamate protected anthranil aldehydes and ketones via one-step alkylation/alkoxy rearrangement.","Organic & biomolecular chemistry","2023","21","28","5757","5761","10.1039/d3ob00812f","","","0.71073","MoKα","","0.0631","0.0401","","","0.088","0.1033","","","","","","1.043","","","","has coordinates","285507","2023-08-05","09:30:09","" "7159398","16.649","0.0011","6.3815","0.0005","18.6164","0.0012","90","","95.783","0.002","90","","1967.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C88 H92 N4 O8 S4 -","4","1","","Xu, Shiji; Wang, Qiang; Sun, Jing; Han, Ying; Hu, Weiming; Wang, Lei; Yan, Chao-Guo","Pd/Cu-catalyzed cascade Heck-type reactions of alkenyl halides with terminal alkynes toward substituted pyrrolidine analogues.","Organic & biomolecular chemistry","2023","21","28","5742","5746","10.1039/d3ob00740e","","","0.71073","MoKα","","0.0827","0.0479","","","0.1058","0.1214","","","","","","1.04","","","","has coordinates","285506","2023-08-05","09:29:55","" "7159399","10.3448","0.0006","12.6474","0.0007","13.0332","0.0008","61.943","0.002","71.66","0.002","74.099","0.002","1412.12","0.15","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H35 Cl O3 S2 -","- C32 H35 Cl O3 S2 -","- C64 H70 Cl2 O6 S4 -","2","1","","Singh, Surya Pratap; Arora, Shivani; Bhardwaj, Prashant Kumar; Singh, Anand","Annulation of quinone methides with 2-benzylidene dithiolanes: synthesis of spirochroman dithiolanes.","Organic & biomolecular chemistry","2023","21","24","4962","4966","10.1039/d3ob00583f","","","0.71073","MoKα","","0.0774","0.0542","","","0.1037","0.1166","","","","","","1.108","","","","has coordinates","284651","2023-06-29","13:18:14","" "7159400","8.2209","0.0003","8.5666","0.0003","13.7435","0.0005","81.561","0.001","75.998","0.001","63.768","0.001","841.53","0.05","103","","103","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C42 H34 N2 O8 -","2","1","","Sarkar, Anindita; Saha, Moumita; Das, Asish R.","Ru(II) catalyzed chelation assisted C(sp2)-H bond functionalization along with concomitant (4 + 2) annulation.","Organic & biomolecular chemistry","2023","21","27","5567","5586","10.1039/d3ob00828b","","","1.54178","CuKα","","0.0528","0.0517","","","0.1378","0.1389","","","","","","1.059","","","","has coordinates","285511","2023-08-05","09:31:06","" "7159401","8.8223","0.0007","11.0053","0.0008","11.6572","0.0008","111.556","0.003","101.505","0.003","99.774","0.003","994.15","0.13","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C46 H44 N4 O4 S2 -","2","1","","Sarkar, Anindita; Saha, Moumita; Das, Asish R.","Ru(II) catalyzed chelation assisted C(sp2)-H bond functionalization along with concomitant (4 + 2) annulation.","Organic & biomolecular chemistry","2023","21","27","5567","5586","10.1039/d3ob00828b","","","1.54178","CuKα","","0.0733","0.0685","","","0.1927","0.2001","","","","","","1.088","","","","has coordinates","285511","2023-08-05","09:31:06","" "7159402","18.0446","0.0006","11.8808","0.0004","11.2129","0.0004","90","","94.5198","0.0012","90","","2396.39","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H21 F N4 -","- C34 H21 F N4 -","- C136 H84 F4 N16 -","4","0.5","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","ortho-Lithiation driven one-pot synthesis of quinazolines via [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0394","0.0377","","","0.1028","0.105","","","","","","1.012","","","","has coordinates","284653","2023-06-29","13:21:59","" "7159403","4.1687","0.0002","12.4116","0.0007","15.8272","0.0009","68.5349","0.0018","85.512","0.002","81.5452","0.0019","753.56","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Br F N2 -","- C20 H12 Br F N2 -","- C40 H24 Br2 F2 N4 -","2","1","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","ortho-Lithiation driven one-pot synthesis of quinazolines via [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0312","0.0298","","","0.0811","0.0825","","","","","","1.079","","","","has coordinates","284653","2023-06-29","13:22:03","" "7159404","7.3882","0.0002","9.8687","0.0003","21.9346","0.0006","93.6965","0.0006","93.9425","0.0006","101.977","0.0006","1555.69","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Br F N2 -","- C20 H12 Br F N2 -","- C80 H48 Br4 F4 N8 -","4","2","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","ortho-Lithiation driven one-pot synthesis of quinazolines via [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0283","0.0271","","","0.0751","0.0758","","","","","","1.046","","","","has coordinates","284653","2023-06-29","13:22:15","" "7159405","16.4004","0.001","4.9641","0.0003","19.8649","0.0012","90","","107.562","0.0018","90","","1541.88","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Bromo-5-fluoro-2,4-diphenylquinazoline","","- C20 H12 Br F N2 -","- C20 H12 Br F N2 -","- C80 H48 Br4 F4 N8 -","4","1","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","ortho-Lithiation driven one-pot synthesis of quinazolines via [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0421","0.0412","","","0.1008","0.1013","","","","","","1.195","","","","has coordinates,has disorder","284653","2023-06-29","13:22:31","" "7159406","11.6106","0.0002","13.7588","0.0003","17.4536","0.0004","109.387","0.0008","98.5209","0.0008","93.7331","0.0008","2581.46","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H37 F2 N7 -","- C61 H37 F2 N7 -","- C122 H74 F4 N14 -","2","1","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","ortho-Lithiation driven one-pot synthesis of quinazolines via [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0459","0.0426","","","0.1093","0.1128","","","","","","1.003","","","","has coordinates","284653","2023-06-29","13:22:33","" "7159407","16.0104","0.0004","11.8607","0.0003","18.9342","0.0005","90","","102.641","0.0009","90","","3508.35","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H28 F3 N5 -","- C47 H28 F3 N5 -","- C188 H112 F12 N20 -","4","1","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","ortho-Lithiation driven one-pot synthesis of quinazolines via [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0428","0.0392","","","0.1093","0.1154","","","","","","1.054","","","","has coordinates","284653","2023-06-29","13:22:37","" "7159408","13.4479","0.0004","14.709","0.0004","23.9088","0.0007","90","","93.8572","0.0013","90","","4718.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9'-(2,4-diphenylquinazolin-5-yl)-9'H-9,3':6',9''-tercarbazole","","- C56 H35 N5 -","- C56 H35 N5 -","- C224 H140 N20 -","4","1","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","ortho-Lithiation driven one-pot synthesis of quinazolines via [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0608","0.0558","","","0.1716","0.1771","","","","","","1.054","","","","has coordinates","284653","2023-06-29","13:22:52","" "7159409","25.755","0.003","6.9641","0.0008","8.7584","0.001","90","","94.153","0.004","90","","1566.8","0.3","273.15","","273.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H12 F3 N O2 S -","- C17 H12 F3 N O2 S -","- C68 H48 F12 N4 O8 S4 -","4","1","","Wang, Wei; Qin, Zhaoliang; Tan, Ze; Yang, Wen","Organocatalytic enantioselective cross-aldol reaction of aryl ketones with heteroaromatic trifluoromethyl ketone hydrates for the synthesis of α-trifluoromethyl tertiary alcohols.","Organic & biomolecular chemistry","2023","21","25","5234","5239","10.1039/d3ob00619k","","","0.71073","MoKα","","0.0279","0.0275","","","0.0699","0.0702","","","","","","1.077","","","","has coordinates","284654","2023-06-29","13:24:06","" "7159410","13.3009","0.0003","11.1099","0.0003","19.7682","0.0005","90","","93.282","0.002","90","","2916.39","0.13","258","","258","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 N O4 S -","- C34 H31 N O4 S -","- C136 H124 N4 O16 S4 -","4","1","","Sahoo, Aradhana; Dutta, Shubham; Sahoo, Akhila K.","Two-component symmetrical diarylation of ynamides","Organic & Biomolecular Chemistry","2023","21","28","5737","5741","10.1039/D3OB00793F","","x-ray","0.71073","MoKα","","0.1104","0.0568","","","0.1325","0.166","","","","","","1.02","","","","has coordinates","285505","2023-08-05","09:29:49","" "7159411","15.0723","0.0004","9.1985","0.0003","16.7522","0.0004","90","","92.202","0.002","90","","2320.85","0.11","297.92","","297.92","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 F6 N O4 -","- C25 H17 F6 N O4 -","- C100 H68 F24 N4 O16 -","4","1","","Sahoo, Aradhana; Dutta, Shubham; Sahoo, Akhila K.","Two-component symmetrical diarylation of ynamides","Organic & Biomolecular Chemistry","2023","21","28","5737","5741","10.1039/D3OB00793F","","x-ray","0.71073","MoKα","","0.1091","0.0876","","","0.2657","0.2919","","","","","","1.114","","","","has coordinates","285505","2023-08-05","09:29:49","" "7159412","8.6585","0.001","6.8558","0.0008","12.0392","0.0014","90","","103.052","0.004","90","","696.2","0.14","149.77","","149.77","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Šlachtová, Veronika; Casaretto, Nicolas; Brulíková, Lucie; Six, Yvan","Bicyclic N-dihalocyclopropylamide derivatives as precursors of nitrogen-containing fused polycyclic systems.","Organic & biomolecular chemistry","2023","21","31","6325","6341","10.1039/d3ob00643c","","","0.71073","MoKα","","0.0631","0.0491","","","0.1262","0.1352","","","","","","1.037","","","","has coordinates,has disorder","286192","2023-09-05","20:23:12","" "7159413","6.7519","0.0006","15.0413","0.0013","24.732","0.002","90","","90","","90","","2511.7","0.4","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H13 Cl N2 O -","- C14 H13 Cl N2 O -","- C112 H104 Cl8 N16 O8 -","8","1","","Vaskevych, Alla I.; Savinchuk, Nataliia O.; Vaskevych, Ruslan I.; Shishkina, Svitlana V.; Vovk, Mykhailo V.","Pd-catalyzed oxidative amination of 2-alkenylquinazolin-4(3H)-ones: synthesis of methylene and vinyl derivatives of pyrrolo(pyrido)[2,1-b]quinazolinones","Organic & Biomolecular Chemistry","2023","21","28","5866","5872","10.1039/D3OB00834G","","","0.71073","MoKα","","0.0622","0.0466","","","0.105","0.1169","","","","","","1.087","","","","has coordinates","285508","2023-08-05","09:30:15","" "7159414","20.0518","0.0004","10.0983","0.0002","10.6704","0.0003","90","","104.628","0.001","90","","2090.6","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-benzylidene-4-(4-methoxyphenyl)-3-(4-(trifluoromethyl)benzyl)oxazolidin-2-one","","- C25 H20 F3 N O3 -","- C25 H20 F3 N O3 -","- C100 H80 F12 N4 O12 -","4","1","","Egashira, Mayumi; Chen, Hsiu-Hui","Highly efficient fixation of carbon dioxide into 2-oxazolidinones under mild conditions by using a reusable ionic liquid/CuI catalyst system.","Organic & biomolecular chemistry","2023","21","26","5377","5381","10.1039/d3ob00698k","","","0.71073","MoKα","","0.0875","0.0571","","","0.1411","0.1651","","","","","","1.03","","","","has coordinates,has disorder","285517","2023-08-05","09:31:59","" "7159415","11.6847","0.0003","13.9633","0.0003","23.2986","0.0006","90","","90","","90","","3801.33","0.16","213","","213","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H17 N O6 -","- C23 H17 N O6 -","- C184 H136 N8 O48 -","8","1","","Huang, Tingzhong; Shao, Ying; Tang, Shengbiao; Sun, Jiangtao","Gold-catalyzed tandem reaction of o-alkynylphenols with diazo compounds: access to 2,3-disubstituted benzofurans.","Organic & biomolecular chemistry","2023","21","28","5752","5756","10.1039/d3ob00893b","","","1.34139","GaKα","","0.0525","0.0433","","","0.1405","0.1499","","","","","","1.192","","","","has coordinates","285509","2023-08-05","09:30:24","" "7159416","9.4331","0.0002","11.3391","0.0002","17.036","0.0003","90","","96.516","0.001","90","","1810.45","0.06","214","","214","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N O6 -","- C23 H17 N O6 -","- C92 H68 N4 O24 -","4","1","","Huang, Tingzhong; Shao, Ying; Tang, Shengbiao; Sun, Jiangtao","Gold-catalyzed tandem reaction of o-alkynylphenols with diazo compounds: access to 2,3-disubstituted benzofurans.","Organic & biomolecular chemistry","2023","21","28","5752","5756","10.1039/d3ob00893b","","","1.34139","GaKα","","0.0543","0.0401","","","0.0988","0.1064","","","","","","1.062","","","","has coordinates","285509","2023-08-05","09:30:31","" "7159417","6.1674","0.0001","28.3059","0.0004","7.817","0.0001","90","","111.001","0.002","90","","1274","0.04","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H38 N2 O7 -","- C27 H38 N2 O7 -","- C54 H76 N4 O14 -","2","1","","Xiao, Wen; Wang, Su-Jing; Yu, Ming-Zhu; Zhang, Xue-Jie; Xiang, Zheng","Chemoenzymatic synthesis of (+)-isoagatholactone, (+)-spongian-16-one, and 3-deoxychavalone A via biocatalytic polyene cyclization.","Organic & biomolecular chemistry","2023","21","27","5527","5531","10.1039/d3ob00206c","","","1.54184","CuKα","","0.0408","0.039","","","0.1066","0.1111","","","","","","1.056","","","","has coordinates","285515","2023-08-05","09:31:28","" "7159418","19.2","0.002","5.3821","0.0005","32.153","0.004","90","","98.636","0.009","90","","3284.9","0.6","293","2","293","2","","","","","","","","4","I 1 2 1","I 2y","5","","1-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-(R)-5-benzyloxyazepan-2-one","","- C34 H34 N O7 -","- C34 H34 N O7 -","- C136 H136 N4 O28 -","4","1","","Kurup, Harikrishnan M.; Kvach, Maksim V.; Harjes, Stefan; Jameson, Geoffrey B.; Harjes, Elena; Filichev, Vyacheslav V.","Seven-membered ring nucleobases as inhibitors of human cytidine deaminase and APOBEC3A.","Organic & biomolecular chemistry","2023","21","24","5117","5128","10.1039/d3ob00392b","","","1.54187","CuKα","","0.1303","0.0693","","","0.1842","0.2434","","","","","","0.914","","","","has coordinates","284661","2023-06-29","13:36:57","" "7159419","33.3058","0.0016","5.5217","0.0003","17.9538","0.0008","90","","106.418","0.002","90","","3167.2","0.3","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","1-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-(S)-5-benzyloxyazepan-2-one","","- C34 H37 N O7 -","- C34 H37 N O7 -","- C136 H148 N4 O28 -","4","1","","Kurup, Harikrishnan M.; Kvach, Maksim V.; Harjes, Stefan; Jameson, Geoffrey B.; Harjes, Elena; Filichev, Vyacheslav V.","Seven-membered ring nucleobases as inhibitors of human cytidine deaminase and APOBEC3A.","Organic & biomolecular chemistry","2023","21","24","5117","5128","10.1039/d3ob00392b","","","1.54178","CuKα","","0.0582","0.0536","","","0.1439","0.1481","","","","","","1.078","","","","has coordinates","284661","2023-06-29","13:37:26","" "7159420","5.8957","0.0008","19.877","0.003","20.288","0.003","90","","90","","90","","2377.5","0.6","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O2 S2 -","- C22 H25 N O2 S2 -","- C88 H100 N4 O8 S8 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.1253","0.1133","","","0.2653","0.2722","","","","","","1.136","","","","has coordinates","285503","2023-08-05","09:29:25","" "7159421","6.0206","0.0004","18.0652","0.0012","9.4916","0.0007","90","","100.221","0.003","90","","1015.96","0.12","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H29 N O2 S2 -","- C20 H29 N O2 S2 -","- C40 H58 N2 O4 S4 -","2","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0355","0.0318","","","0.0769","0.0804","","","","","","1.047","","","","has coordinates","285503","2023-08-05","09:29:25","" "7159422","11.215","0.0012","29.247","0.003","5.8198","0.0007","90","","90","","90","","1908.9","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 S2 -","- C18 H23 N O2 S2 -","- C72 H92 N4 O8 S8 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0857","0.0788","","","0.1756","0.1787","","","","","","1.172","","","","has coordinates","285503","2023-08-05","09:29:25","" "7159423","6.0077","0.0003","15.196","0.0007","19.967","0.0012","90","","90","","90","","1822.85","0.17","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 N O2 S2 -","- C16 H27 N O2 S2 -","- C64 H108 N4 O8 S8 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0494","0.0354","","","0.0772","0.0865","","","","","","1.106","","","","has coordinates","285503","2023-08-05","09:29:25","" "7159424","5.8356","0.0004","19.1473","0.0011","9.4506","0.0007","90","","98.968","0.004","90","","1043.06","0.12","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 N O2 S2 -","- C22 H25 N O2 S2 -","- C44 H50 N2 O4 S4 -","2","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.1072","0.0734","","","0.1251","0.1377","","","","","","1.149","","","","has coordinates","285503","2023-08-05","09:29:25","" "7159425","5.7979","0.0003","11.3878","0.0006","13.236","0.0007","90","","99.733","0.002","90","","861.33","0.08","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H25 N O2 S2 -","- C15 H25 N O2 S2 -","- C30 H50 N2 O4 S4 -","2","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0315","0.0292","","","0.0728","0.0743","","","","","","1.092","","","","has coordinates","285503","2023-08-05","09:29:25","" "7159426","27.661","0.002","5.945","0.0004","12.9885","0.0011","90","","100.737","0.004","90","","2098.5","0.3","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H29 N O2 S2 -","- C20 H29 N O2 S2 -","- C80 H116 N4 O8 S8 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0754","0.046","","","0.0976","0.1082","","","","","","0.93","","","","has coordinates","285503","2023-08-05","09:29:25","" "7159427","6.0258","0.0004","17.9919","0.0012","9.501","0.0006","90","","99.556","0.002","90","","1015.76","0.12","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H29 N O3 S2 -","- C20 H29 N O3 S2 -","- C40 H58 N2 O6 S4 -","2","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0617","0.0437","","","0.0818","0.0907","","","","","","1.068","","","","has coordinates","285503","2023-08-05","09:29:25","" "7159428","9.7251","0.0003","11.3374","0.0003","14.2512","0.0004","90","","90","","90","","1571.3","0.08","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Cl2 N O Pd S -","- C12 H19 Cl2 N O Pd S -","- C48 H76 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0184","0.0169","","","0.0392","0.0403","","","","","","1.104","","","","has coordinates","285503","2023-08-05","09:29:25","" "7159429","6.309","0.005","13.919","0.01","20.755","0.014","90","","90","","90","","1823","2","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl2 N O Pd S -","- C18 H17 Cl2 N O Pd S -","- C72 H68 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.1173","0.094","","","0.2358","0.2475","","","","","","1.065","","","","has coordinates","285503","2023-08-05","09:29:25","" "7159430","8.554","0.0004","10.1169","0.0004","16.2154","0.0007","90","","90","","90","","1403.28","0.11","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C9 H21 Cl2 N O Pd S -","- C9 H21 Cl2 N O Pd S -","- C36 H84 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.016","0.0151","","","0.0357","0.0362","","","","","","1.08","","","","has coordinates","285503","2023-08-05","09:29:25","" "7159431","8.1116","0.0005","12.0151","0.0007","14.6744","0.0007","90","","90","","90","","1430.19","0.14","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 Cl2 N O Pd S -","- C11 H17 Cl2 N O Pd S -","- C44 H68 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0301","0.0261","","","0.0472","0.0484","","","","","","1.073","","","","has coordinates","285503","2023-08-05","09:29:25","" "7159432","5.8774","0.0005","12.2061","0.0009","24.8164","0.0016","90","","90","","90","","1780.3","0.2","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 Cl2 N O Pd S -","- C16 H21 Cl2 N O Pd S -","- C64 H84 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0482","0.0408","","","0.0951","0.1009","","","","","","1.053","","","","has coordinates","285503","2023-08-05","09:29:25","" "7159433","6.0101","0.0003","14.6331","0.0006","19.1993","0.0008","90","","90","","90","","1688.51","0.13","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H29 N O2 S2 -","- C13 H29 N O2 S2 -","- C52 H116 N4 O8 S8 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0489","0.0352","","","0.0726","0.0804","","","","","","1.103","","","","has coordinates","285503","2023-08-05","09:29:25","" "7159434","14.1201","0.0003","14.1201","0.0003","19.4225","0.0006","90","","90","","120","","3353.6","0.14","193","2","193","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H25 N O3 S2 -","- C18 H25 N O3 S2 -","- C108 H150 N6 O18 S12 -","6","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0754","0.0631","","","0.1643","0.1736","","","","","","1.039","","","","has coordinates","285503","2023-08-05","09:29:25","" "7159435","12.6204","0.0008","6.6213","0.0003","22.7235","0.0014","90","","95.562","0.003","90","","1889.91","0.19","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H17 Cl2 N O Pd S -","- C18 H17 Cl2 N O Pd S -","- C72 H68 Cl8 N4 O4 Pd4 S4 -","4","2","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0713","0.0594","","","0.1306","0.135","","","","","","1.09","","","","has coordinates","285503","2023-08-05","09:29:25","" "7159436","6.148","0.002","13.389","0.004","20.42","0.006","90","","90","","90","","1680.9","0.9","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Cl2 N O Pd S -","- C14 H15 Cl2 N O Pd S -","- C56 H60 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH2/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0836","0.0578","","","0.1222","0.1292","","","","","","1.091","","","","has coordinates","285503","2023-08-05","09:29:25","" "7159437","23.66","0.002","6.1601","0.0006","14.0178","0.0013","90","","112.573","0.002","90","","1886.5","0.3","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H19 N5 O6 -","- C19 H19 N5 O6 -","- C76 H76 N20 O24 -","4","1","","Fuchi, Yasufumi; Watanabe, Kouki; Shoji, Misa; Ito, Yuta; Hari, Yoshiyuki","Synthesis of purine derivatives of Me-TaNA and properties of Me-TaNA-modified oligonucleotides.","Organic & biomolecular chemistry","2023","21","25","5203","5213","10.1039/d3ob00745f","","","0.71073","MoKa","","0.0367","0.0365","","","0.0972","0.0974","","","","","","1.029","","","","has coordinates","284663","2023-06-29","13:47:27","" "7159438","8.1476","0.0005","9.0775","0.0006","27.2326","0.0017","90","","90","","90","","2014.1","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 I2 O3 -","- C23 H16 I2 O3 -","- C92 H64 I8 O12 -","4","1","","Kumari, Akanksha; Jain, Anshul; Shukla, Khyati; Patra, Ranjan; Rana, Nirmal K.","A reusable polymer anchored pyridine mediated formal [4 + 1] annulation reaction for the diastereoselective synthesis of 2,3-dihydrobenzofurans.","Organic & biomolecular chemistry","2023","21","27","5542","5546","10.1039/d3ob00804e","","","0.71073","MoKα","","0.0216","0.019","","","0.0389","0.0403","","","","","","1.056","","","","has coordinates","285510","2023-08-05","09:30:59","" "7159439","22.3743","0.0007","5.3342","0.0002","13.0665","0.0004","90","","90","","90","","1559.47","0.09","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H15 N O -","- C23 H15 N O -","- C92 H60 N4 O4 -","4","1","","Kumari, Akanksha; Jain, Anshul; Shukla, Khyati; Patra, Ranjan; Rana, Nirmal K.","A reusable polymer anchored pyridine mediated formal [4 + 1] annulation reaction for the diastereoselective synthesis of 2,3-dihydrobenzofurans.","Organic & biomolecular chemistry","2023","21","27","5542","5546","10.1039/d3ob00804e","","","0.71073","MoKα","","0.052","0.0433","","","0.1005","0.105","","","","","","1.048","","","","has coordinates","285510","2023-08-05","09:31:00","" "7159440","16.5618","0.0013","9.8374","0.0005","13.4401","0.001","90","","109.596","0.009","90","","2062.9","0.3","293","10","293","10","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 B N2 O3 -","- C25 H21 B N2 O3 -","- C100 H84 B4 N8 O12 -","4","1","","Li, Lin; Ouyang, Hao; Long, Zhiqing; Zhang, Qinpeng; Jiang, Yunqi; Cai, Meng; Xiong, Shenglun; Peng, Sangshan; Xu, Guangyu; He, Qing","A triphenylamine-based fluorescent probe with phenylboronic acid for highly selective detection of Hg2+ and CH3Hg+ in groundwater.","Organic & biomolecular chemistry","2023","21","27","5560","5566","10.1039/d3ob00183k","","x-ray","1.54184","CuKα","","0.0817","0.0714","","","0.188","0.1939","","","","","","1.113","","","","has coordinates","285513","2023-08-05","09:31:17","" "7159441","12.3643","0.0004","7.5268","0.0004","31.4217","0.0012","90","","90","","90","","2924.2","0.2","296.71","","296.71","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C40 H26 O4 -","- C40 H26 O4 -","- C160 H104 O16 -","4","1","","Gugulothu, Kishan; Jatoth, Ramanna; Gudipati, Ramakrishna; Rajitha, Nampally; Dandela, Rambabu; Shiva Kumar, K.","Pd-catalyzed homo-coupling of benzofurans: one-pot synthesis of diverse 3,3'-bisbenzofurans.","Organic & biomolecular chemistry","2023","21","27","5587","5591","10.1039/d3ob00658a","","x-ray","0.71073","MoKα","","0.2374","0.1349","","","0.3198","0.4051","","","","","","1.154","","","","has coordinates","285514","2023-08-05","09:31:23","" "7159442","8.3025","0.0012","9.7428","0.0013","10.8769","0.0013","71.098","0.012","81.271","0.011","71.101","0.012","786.4","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C38 H44 O6 -","2","1","","Saejong, Peerawat; Rojas, Juan J.; Denis, Camille; White, Andrew J. P.; Voisin-Chiret, Anne Sophie; Choi, Chulho; Bull, James A.","Synthesis of oxetane and azetidine ethers as ester isosteres by Brønsted acid catalysed alkylation of alcohols with 3-aryl-oxetanols and 3-aryl-azetidinols.","Organic & biomolecular chemistry","2023","21","27","5553","5559","10.1039/d3ob00731f","","","1.54184","CuKα","","0.0897","0.05","","","0.1105","0.1385","","","","","","1.035","","","","has coordinates","285512","2023-08-05","09:31:12","" "7159443","10.7892","0.0005","17.3283","0.0006","8.0868","0.0003","90","","110.601","0.004","90","","1415.22","0.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C64 H88 O12 -","4","1","","Saejong, Peerawat; Rojas, Juan J.; Denis, Camille; White, Andrew J. P.; Voisin-Chiret, Anne Sophie; Choi, Chulho; Bull, James A.","Synthesis of oxetane and azetidine ethers as ester isosteres by Brønsted acid catalysed alkylation of alcohols with 3-aryl-oxetanols and 3-aryl-azetidinols.","Organic & biomolecular chemistry","2023","21","27","5553","5559","10.1039/d3ob00731f","","","0.71073","MoKα","","0.0592","0.0429","","","0.0944","0.103","","","","","","1.048","","","","has coordinates","285512","2023-08-05","09:31:12","" "7159444","7.817","0.003","12.371","0.005","19.295","0.007","90","","90","","90","","1865.9","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N2 O2 S -","- C22 H18 N2 O2 S -","- C88 H72 N8 O8 S4 -","4","1","","Li, Jiani; Feng, Jing; Chen, Tao; Xu, Ze-Feng; Li, Chuan-Ying","Synthesis of 3-aminoquinolines from α-imino rhodium carbenes and 2-aminobenzaldehydes.","Organic & biomolecular chemistry","2023","21","29","5935","5938","10.1039/d3ob00843f","","","0.71073","MoKα","","0.0438","0.0373","","","0.0937","0.0981","","","","","","1.031","","","","has coordinates","285499","2023-08-05","09:28:38","" "7159445","16.9533","0.0015","7.7548","0.0006","17.8906","0.0015","90","","110.685","0.002","90","","2200.4","0.3","293","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N2 O S4 -","- C20 H26 N2 O S4 -","- C80 H104 N8 O4 S16 -","4","1","","Mondal, Manas; Saha, Debajyoti; Saha, Amit","Metal-free trifunctionalization of phenylacetylenes: an efficient one-pot two-step synthesis of gem-bis(dithiocarbamates).","Organic & biomolecular chemistry","2023","21","29","5924","5928","10.1039/d3ob00712j","","","0.71073","MoKα","","0.1889","0.1652","","","0.2717","0.28","","","","","","1.562","","","","has coordinates","285500","2023-08-05","09:28:44","" "7159446","10.9325","0.0005","16.9864","0.0007","9.6085","0.0005","90","","108.177","0.005","90","","1695.29","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","SKP-02","","- C21 H15 Br N2 -","- C21 H15 Br N2 -","- C84 H60 Br4 N8 -","4","1","","Parida, Sushanta Kumar; Joshi, Saurav; Murarka, Sandip","Copper-catalyzed tandem cyclization/arylation of α,β-alkynic hydrazones with diaryliodonium salts: synthesis of N-arylpyrazoles.","Organic & biomolecular chemistry","2023","21","28","5784","5789","10.1039/d3ob00899a","","x-ray","0.71073","MoKα","","0.0437","0.0321","","","0.0986","0.1067","","","","","","0.828","","","","has coordinates","285504","2023-08-05","09:29:41","" "7159447","9.5218","0.0011","10.047","0.0012","18.931","0.003","90","","90","","90","","1811","0.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br N O3 -","- C20 H16 Br N O3 -","- C80 H64 Br4 N4 O12 -","4","1","","Nagesh, Kommu; Manda, Jagadish; Sridhar, B.; Subba Reddy, B. V.","Rh(III)-catalyzed [3 + 2] spiroannulation of 2,3-dihydro-1,4-benzoxazines with 4-hydroxy-2-alkynoates through ortho-C-H bond functionalization.","Organic & biomolecular chemistry","2023","21","30","6169","6173","10.1039/d3ob00786c","","","0.71073","MoKα","","0.0338","0.028","","","0.0707","0.0726","","","","","","1.054","","","","has coordinates","285520","2023-08-05","09:32:47","" "7159448","8.5755","0.0004","9.8662","0.0005","11.7817","0.0006","94.918","0.001","108.527","0.001","90.485","0.001","941.01","0.08","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N3 O3 -","- C22 H19 N3 O3 -","- C44 H38 N6 O6 -","2","1","","Yang, Dezhi; Zhu, Meng; Wang, Taimin; He, Yixuan; Xie, Lang; Zhang, Jiayong; Cheng, Bin","Catalyst-free inverse-electron-demand aza-Diels-Alder reaction of 4,4-dicyano-2-methylenebut-3-enoates and 1,3,5-triazinanes: access to polysubstituted tetrahydropyridines.","Organic & biomolecular chemistry","2023","21","26","5413","5418","10.1039/d3ob00511a","","x-ray","1.34138","GaKα","","0.0727","0.0337","","","0.0987","0.1024","","","","","","1.097","","","","has coordinates","285010","2023-07-06","00:43:40","" "7159449","9.7031","0.0007","10.4099","0.0007","17.796","0.001","90","","95.421","0.002","90","","1789.5","0.2","100","0.2","100","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Yang, Dezhi; Zhu, Meng; Wang, Taimin; He, Yixuan; Xie, Lang; Zhang, Jiayong; Cheng, Bin","Catalyst-free inverse-electron-demand aza-Diels-Alder reaction of 4,4-dicyano-2-methylenebut-3-enoates and 1,3,5-triazinanes: access to polysubstituted tetrahydropyridines.","Organic & biomolecular chemistry","2023","21","26","5413","5418","10.1039/d3ob00511a","","x-ray","0.71073","MoKα","","0.0303","0.0286","","","0.0728","0.074","","","","","","1.048","","","","has coordinates","285010","2023-07-06","00:43:41","" "7159450","17.893","0.001","7.7491","0.0004","13.6613","0.0007","90","","90.97","0.005","90","","1893.93","0.17","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C14 H9 O -","- C14 H9 O -","- C112 H72 O8 -","8","1","","Qi, Rui; Bai, Tianwen; Tang, Shuwang; Hou, Ming; Zhang, Zhide; Xie, Wenlin; Deng, Yangling; Zhou, Hongwei; Qiu, Guanyinsheng","Solvent-promoted photochemical carbonylation of benzylic C-H bonds under iron catalysis.","Organic & biomolecular chemistry","2023","21","26","5382","5386","10.1039/d3ob00328k","","x-ray","1.54184","CuKα","","0.0759","0.067","","","0.1604","0.1731","","","","","","1.085","","","","has coordinates","285011","2023-07-06","00:45:01","" "7159451","11.748","0.013","7.359","0.005","21.472","0.014","90","","94.5","0.03","90","","1851","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 F2 N -","- C24 H17 F2 N -","- C96 H68 F8 N4 -","4","1","","Chatterjee, Rana; Bhukta, Swadhapriya; Angajala, Kishore Kumar; Dandela, Rambabu","Copper catalysed oxidative cascade deamination/cyclization of vinyl azide and benzylamine for the synthesis of 2,4,6-triarylpyridines.","Organic & biomolecular chemistry","2023","21","26","5419","5423","10.1039/d3ob00625e","","","0.71073","MoKα","","0.1073","0.0588","","","0.1487","0.2056","","","","","","0.927","","","","has coordinates","285012","2023-07-06","00:45:24","" "7159452","17.6839","0.0009","11.2101","0.0006","15.0773","0.0007","90","","106.593","0.002","90","","2864.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 O4 S -","- C31 H34 O4 S -","- C124 H136 O16 S4 -","4","1","","Subbi Reddy, Manyam; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Design and development of intramolecular doubly vinylogous Michael addition to access 3-aryl substituted 2-alkenyl-benzofurans and -indoles.","Organic & biomolecular chemistry","2023","21","26","5387","5397","10.1039/d3ob00861d","","","0.71073","MoKα","","0.1352","0.0571","","","0.1314","0.172","","","","","","1.02","","","","has coordinates","285013","2023-07-06","00:46:01","" "7159453","10.294","0.002","19.579","0.004","17.114","0.003","90","","99.109","0.008","90","","3405.8","1.1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 N O5 S2 -","- C37 H39 N O5 S2 -","- C148 H156 N4 O20 S8 -","4","1","","Subbi Reddy, Manyam; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Design and development of intramolecular doubly vinylogous Michael addition to access 3-aryl substituted 2-alkenyl-benzofurans and -indoles.","Organic & biomolecular chemistry","2023","21","26","5387","5397","10.1039/d3ob00861d","","","0.71073","MoKα","","0.1265","0.0523","","","0.105","0.1392","","","","","","1.005","","","","has coordinates,has disorder","285013","2023-07-06","00:46:01","" "7159454","13.7698","0.0007","14.193","0.0005","12.6454","0.0006","90","","108.45","0.005","90","","2344.3","0.2","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 B F2 N2 -","- C29 H29 B F2 N2 -","- C116 H116 B4 F8 N8 -","4","1","","Yamamoto, Koji; Matsui, Shun; Kato, Shin-Ichiro; Nakamura, Yosuke","A series of boron difluoride complexes of azinylcarbazoles: synthesis and structure-property relationships.","Organic & biomolecular chemistry","2023","21","26","5398","5405","10.1039/d3ob00795b","","x-ray","0.71073","MoKα","","0.073","0.0483","","","0.1118","0.1209","","","","","","1.04","","","","has coordinates,has disorder","285014","2023-07-06","00:47:01","" "7159455","20.9381","0.0005","9.9194","0.0003","11.6477","0.0003","90","","100.414","0.002","90","","2379.3","0.11","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 B F2 N2 -","- C29 H29 B F2 N2 -","- C116 H116 B4 F8 N8 -","4","1","","Yamamoto, Koji; Matsui, Shun; Kato, Shin-Ichiro; Nakamura, Yosuke","A series of boron difluoride complexes of azinylcarbazoles: synthesis and structure-property relationships.","Organic & biomolecular chemistry","2023","21","26","5398","5405","10.1039/d3ob00795b","","x-ray","0.71073","MoKα","","0.0501","0.0423","","","0.1194","0.1238","","","","","","1.06","","","","has coordinates,has disorder","285014","2023-07-06","00:47:02","" "7159456","7.4073","0.0002","12.8859","0.0003","15.5809","0.0003","90","","95.475","0.002","90","","1480.41","0.06","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F2 N2 -","- C20 H13 B F2 N2 -","- C80 H52 B4 F8 N8 -","4","1","","Yamamoto, Koji; Matsui, Shun; Kato, Shin-Ichiro; Nakamura, Yosuke","A series of boron difluoride complexes of azinylcarbazoles: synthesis and structure-property relationships.","Organic & biomolecular chemistry","2023","21","26","5398","5405","10.1039/d3ob00795b","","x-ray","0.71073","MoKα","","0.0444","0.0425","","","0.1204","0.1219","","","","","","1.035","","","","has coordinates","285014","2023-07-06","00:47:02","" "7159457","16.1855","0.0003","11.2431","0.0002","11.9494","0.0002","90","","109.172","0.002","90","","2053.89","0.07","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 B F2 N3 -","- C24 H26 B F2 N3 -","- C96 H104 B4 F8 N12 -","4","1","","Yamamoto, Koji; Matsui, Shun; Kato, Shin-Ichiro; Nakamura, Yosuke","A series of boron difluoride complexes of azinylcarbazoles: synthesis and structure-property relationships.","Organic & biomolecular chemistry","2023","21","26","5398","5405","10.1039/d3ob00795b","","x-ray","0.71073","MoKα","","0.0412","0.0397","","","0.1101","0.111","","","","","","1.045","","","","has coordinates","285014","2023-07-06","00:47:02","" "7159458","17.7244","0.0008","10.0495","0.0003","12.6371","0.0005","90","","110.399","0.005","90","","2109.78","0.16","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 B F2 N3 -","- C24 H26 B F2 N3 -","- C96 H104 B4 F8 N12 -","4","1","","Yamamoto, Koji; Matsui, Shun; Kato, Shin-Ichiro; Nakamura, Yosuke","A series of boron difluoride complexes of azinylcarbazoles: synthesis and structure-property relationships.","Organic & biomolecular chemistry","2023","21","26","5398","5405","10.1039/d3ob00795b","","x-ray","0.71073","MoKα","","0.0699","0.0482","","","0.1183","0.1282","","","","","","1.041","","","","has coordinates,has disorder","285014","2023-07-06","00:47:02","" "7159459","7.2137","0.0005","6.6371","0.0005","20.4802","0.0015","90","","95.575","0.002","90","","975.91","0.12","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C48 H44 O8 -","2","1","","Moktan, Sangay; Rotta, Mahendra K. V.; Halder, Suvendu; Pradhan, Priyanka; Kancharla, Pavan K.","ortho-[1-(p-MeOPhenyl)vinyl]benzoate PMPVB as a recyclable auxiliary for C-O and C-S bond formation reactions under Brønsted acid catalysis.","Organic & biomolecular chemistry","2023","21","29","5929","5934","10.1039/d3ob00839h","","","0.71073","MoKα","","0.0736","0.0681","","","0.1838","0.1882","","","","","","1.133","","","","has coordinates","285501","2023-08-05","09:28:57","" "7159460","12.5684","0.0018","10.8101","0.0019","13.734","0.003","90","","93.963","0.015","90","","1861.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O3 S -","- C20 H28 O3 S -","- C80 H112 O12 S4 -","4","1","","Moktan, Sangay; Rotta, Mahendra K. V.; Halder, Suvendu; Pradhan, Priyanka; Kancharla, Pavan K.","ortho-[1-(p-MeOPhenyl)vinyl]benzoate PMPVB as a recyclable auxiliary for C-O and C-S bond formation reactions under Brønsted acid catalysis.","Organic & biomolecular chemistry","2023","21","29","5929","5934","10.1039/d3ob00839h","","","0.71073","MoKα","","0.2251","0.0851","","","0.1566","0.2251","","","","","","0.938","","","","has coordinates","285501","2023-08-05","09:29:01","" "7159461","10.9191","0.0006","15.44","0.0009","21.1104","0.0012","90","","96.9191","0.0016","90","","3533.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N4 O6 -","- C36 H34 N4 O6 -","- C144 H136 N16 O24 -","4","1","","Huang, Li; Han, Ying; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Tandem ring-opening and formal [3 + 2] cycloaddition of furo[2,3-d]pyrimidine-2,4-diones.","Organic & biomolecular chemistry","2023","21","29","6028","6033","10.1039/d3ob00769c","","","0.71073","MoKα","","0.1679","0.0861","","","0.1978","0.2362","","","","","","1.04","","","","has coordinates","285498","2023-08-05","09:28:32","" "7159462","11.46","0.002","11.71","0.002","17.019","0.003","93.646","0.006","106.656","0.006","116.853","0.005","1901.7","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H40 Cl N5 O5 -","- C43 H40 Cl N5 O5 -","- C86 H80 Cl2 N10 O10 -","2","1","","Huang, Li; Han, Ying; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Tandem ring-opening and formal [3 + 2] cycloaddition of furo[2,3-d]pyrimidine-2,4-diones.","Organic & biomolecular chemistry","2023","21","29","6028","6033","10.1039/d3ob00769c","","","0.71073","MoKα","","0.1853","0.0867","","","0.134","0.1684","","","","","","1.049","","","","has coordinates","285498","2023-08-05","09:28:32","" "7159463","8.5237","0.0014","36.249","0.006","20.786","0.004","90","","95.263","0.005","90","","6395.3","1.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 N4 O6 -","- C36 H34 N4 O6 -","- C288 H272 N32 O48 -","8","2","","Huang, Li; Han, Ying; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Tandem ring-opening and formal [3 + 2] cycloaddition of furo[2,3-d]pyrimidine-2,4-diones.","Organic & biomolecular chemistry","2023","21","29","6028","6033","10.1039/d3ob00769c","","","0.71073","MoKα","","0.1902","0.0751","","","0.1475","0.1886","","","","","","1.013","","","","has coordinates","285498","2023-08-05","09:28:32","" "7159464","5.8721","0.0002","21.5158","0.0007","12.7252","0.0004","90","","98.689","0.003","90","","1589.29","0.09","293","10","293","10","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Wani, Mohmad Muzafar; Rashid, Auqib; Bhat, Bilal A.","A micelle-mediated approach enables facile access to bridged oxabicyclo[n.3.1]alkene scaffolds.","Organic & biomolecular chemistry","2023","21","30","6151","6159","10.1039/d3ob00918a","","x-ray","0.71073","MoKα","","0.1059","0.0607","","","0.176","0.1994","","","","","","1.078","","","","has coordinates","285521","2023-08-05","09:32:52","" "7159465","15.423","0.003","4.9337","0.0009","11.308","0.002","90","","110.313","0.002","90","","806.9","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Cl O -","- C9 H7 Cl O -","- C36 H28 Cl4 O4 -","4","1","","Wang, Miao; Jiang, Shan; Lu, Xin-Xin; Zhang, Kun; Yuan, Zi-Yi; Xu, Rui-Li; Zhao, Bang-Tun; Wu, An-Xin","Synthesis of primary propargylic alcohols from terminal alkynes using rongalite as the C1 unit.","Organic & biomolecular chemistry","2023","21","29","5949","5952","10.1039/d3ob00902e","","","0.71073","MoKα","","0.0675","0.0625","","","0.1976","0.2021","","","","","","1.059","","","","has coordinates,has disorder","285497","2023-08-05","09:28:22","" "7159466","7.6869","0.0002","5.978","0.0001","10.041","0.0002","90","","95.575","0.002","90","","459.224","0.017","373","2","373","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H10 Br O3 -","- C9 H11 Br O3 -","- C18 H22 Br2 O6 -","2","1","","Ding, Xiao-Bo; Wung, Alexander; Furkert, Daniel P.; Brimble, Margaret A.","Synthesis of the spiroimine fragment of portimines A and B.","Organic & biomolecular chemistry","2023","21","29","6008","6017","10.1039/d3ob00998j","","","1.54184","CuKα","","0.0168","0.0167","","","0.0447","0.0447","","","","","","0.977","","","","has coordinates","285502","2023-08-05","09:29:06","" "7159467","11.3041","0.0009","12.1883","0.001","15.3961","0.0013","73.037","0.002","80.723","0.002","67.275","0.002","1868.6","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H41 N3 Na O9 Pd -","- C39 H41 N3 Na O9 Pd -","- C78 H82 N6 Na2 O18 Pd2 -","2","1","","García-Mejía, Carlos D; Hernández-Vázquez, Eduardo; Alejandro Ibarra-Hernández, Javier; Tarbuck-Valle, Atl; Ramírez-Apán, María T","A regioselective synthesis of 3,4-diaryl-1H-pyrazoles through a 1,3-dipolar cycloaddition of tosylhydrazones and nitroalkenes.","Organic & biomolecular chemistry","2023","21","30","6205","6217","10.1039/d3ob00753g","","","0.71073","MoKα","","0.0395","0.0363","","","0.1022","0.1047","","","","","","1.067","","","","has coordinates,has disorder","285518","2023-08-05","09:32:35","" "7159468","9.931","0.0008","11.5257","0.0009","31.731","0.003","90.58","0.003","92.359","0.003","109.744","0.003","3414.5","0.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C180 H130 N10 O20 -","10","5","","Dasi, Rajesh; Villinger, Alexander; Brasholz, Malte","Visible light-induced iridium(III)-sensitized [2 + 2] and [3 + 2] photocycloadditions of 2-cyanochromone with alkenes.","Organic & biomolecular chemistry","2023","21","30","6103","6106","10.1039/d3ob00862b","","","0.71073","MoKα","","0.0907","0.0696","","","0.1597","0.1724","","","","","","1.126","","","","has coordinates,has disorder","285526","2023-08-05","09:33:31","" "7159469","8.0634","0.001","9.8825","0.0012","10.1049","0.0013","114.137","0.004","98.043","0.005","97.708","0.004","711.1","0.16","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Cl N O2 -","- C18 H12 Cl N O2 -","- C36 H24 Cl2 N2 O4 -","2","1","","Dasi, Rajesh; Villinger, Alexander; Brasholz, Malte","Visible light-induced iridium(III)-sensitized [2 + 2] and [3 + 2] photocycloadditions of 2-cyanochromone with alkenes.","Organic & biomolecular chemistry","2023","21","30","6103","6106","10.1039/d3ob00862b","","","0.71073","MoKα","","0.0528","0.0391","","","0.0959","0.1052","","","","","","1.036","","","","has coordinates","285526","2023-08-05","09:33:31","" "7159470","14.6451","0.0009","6.3929","0.0004","17.5863","0.001","90","","112.361","0.002","90","","1522.7","0.16","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Dasi, Rajesh; Villinger, Alexander; Brasholz, Malte","Visible light-induced iridium(III)-sensitized [2 + 2] and [3 + 2] photocycloadditions of 2-cyanochromone with alkenes.","Organic & biomolecular chemistry","2023","21","30","6103","6106","10.1039/d3ob00862b","","","0.71073","MoKα","","0.0559","0.0447","","","0.1152","0.1252","","","","","","1.021","","","","has coordinates","285526","2023-08-05","09:33:31","" "7159471","9.4965","0.0012","10.7884","0.0013","15.316","0.002","90","","104.883","0.005","90","","1516.5","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cl N O2 -","- C19 H14 Cl N O2 -","- C76 H56 Cl4 N4 O8 -","4","1","","Dasi, Rajesh; Villinger, Alexander; Brasholz, Malte","Visible light-induced iridium(III)-sensitized [2 + 2] and [3 + 2] photocycloadditions of 2-cyanochromone with alkenes.","Organic & biomolecular chemistry","2023","21","30","6103","6106","10.1039/d3ob00862b","","","0.71073","MoKα","","0.0491","0.041","","","0.1104","0.1164","","","","","","1.013","","","","has coordinates","285526","2023-08-05","09:33:31","" "7159472","10.2547","0.0013","6.2786","0.0008","18.091","0.003","90","","100.081","0.005","90","","1146.8","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C56 H40 N8 O8 -","4","1","","Dasi, Rajesh; Villinger, Alexander; Brasholz, Malte","Visible light-induced iridium(III)-sensitized [2 + 2] and [3 + 2] photocycloadditions of 2-cyanochromone with alkenes.","Organic & biomolecular chemistry","2023","21","30","6103","6106","10.1039/d3ob00862b","","","0.71073","MoKα","","0.0553","0.0458","","","0.1124","0.1202","","","","","","1.036","","","","has coordinates,has disorder","285526","2023-08-05","09:33:31","" "7159473","7.3664","0.0003","8.4028","0.0003","20.5541","0.001","90","","90","","90","","1272.27","0.09","120","2","120","2","","","","","","","synthesized by the authors","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 O2 -","- C18 H12 O2 -","- C72 H48 O8 -","4","1","","Fadeev, Alexander A.; Kotora, Martin","Catalytic vs. uncatalyzed [2 + 2] photocycloadditions of quinones with alkynes.","Organic & biomolecular chemistry","2023","21","30","6174","6179","10.1039/d3ob00636k","","","0.71073","MoKα","","0.0314","0.0311","","","0.0885","0.0888","","","","","","1.082","","","","has coordinates","285523","2023-08-05","09:33:08","" "7159474","12.4042","0.0004","8.1827","0.0002","12.1889","0.0004","90","","99.91","0.001","90","","1218.71","0.06","120","2","120","2","","","","","","","synthesized by the authors","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","","Fadeev, Alexander A.; Kotora, Martin","Catalytic vs. uncatalyzed [2 + 2] photocycloadditions of quinones with alkynes.","Organic & biomolecular chemistry","2023","21","30","6174","6179","10.1039/d3ob00636k","","","0.71073","MoKα","","0.0357","0.035","","","0.0879","0.0886","","","","","","1.029","","","","has coordinates","285523","2023-08-05","09:33:08","" "7159475","9.466","0.004","16.073","0.006","26.339","0.009","90","","90","","90","","4007","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H44 N O7 P -","- C47 H44 N O7 P -","- C188 H176 N4 O28 P4 -","4","1","","Gbubele, Joseph D.; Misiaszek, Tomasz; Siczek, Miłosz; Olszewski, Tomasz K.","α-Amido sulphones as useful intermediates in the preparation of C-chiral α-aminophosphonates and α-aminophosphonic acids.","Organic & biomolecular chemistry","2023","21","30","6180","6191","10.1039/d3ob00924f","","x-ray","1.54184","CuKα","","0.0634","0.0527","","","0.1346","0.1463","","","","","","1.058","","","","has coordinates","285525","2023-08-05","09:33:22","" "7159476","10.768","0.003","11.588","0.003","31.149","0.007","90","","98.37","0.02","90","","3845.4","1.7","100","2","100","2","","","","","","","","5","P 1 2 1","P 2y","3","","","","- C46 H42 N O7 P -","- C46 H42 N O7 P -","- C184 H168 N4 O28 P4 -","4","2","","Gbubele, Joseph D.; Misiaszek, Tomasz; Siczek, Miłosz; Olszewski, Tomasz K.","α-Amido sulphones as useful intermediates in the preparation of C-chiral α-aminophosphonates and α-aminophosphonic acids.","Organic & biomolecular chemistry","2023","21","30","6180","6191","10.1039/d3ob00924f","","x-ray","1.54184","CuKα","","0.0478","0.0463","","","0.1197","0.1206","","","","","","1.112","","","","has coordinates","285525","2023-08-05","09:33:22","" "7159477","10.073","0.001","11.31","0.001","11.486","0.001","75.83","0.01","81.71","0.01","80.98","0.01","1245.4","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N3 O -","- C14 H15 N3 O -","- C56 H60 N12 O4 -","4","2","","Gaware, Sujeet; Chatterjee, Rana; Kapdi, Anant R.; Dandela, Rambabu","Copper-catalysed chemoselective C-OH bond activation of N-benzoyl cytosine: facile access to 2-(dimethylamino)pyrimidine.","Organic & biomolecular chemistry","2023","21","29","5944","5948","10.1039/d3ob00659j","","","0.71073","MoKα","","0.1733","0.0797","","","0.196","0.272","","","","","","1.065","","","","has coordinates","285495","2023-08-05","09:28:02","" "7159478","49.6825","0.0009","6.41808","0.00012","13.263","0.0002","90","","95.324","0.007","90","","4210.88","0.14","93","","93","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C26 H38 O -","- C26 H37 O -","- C208 H296 O8 -","8","2","","Taguchi, Haruki; Kawaguchi, Mayuko; Nagamitsu, Tohru; Ohtawa, Masaki","Concise syntheses of (-)-habiterpenol and (+)-2,3-epi-habiterpenol via redox radical cyclization of alkenylsilane.","Organic & biomolecular chemistry","2023","21","30","6129","6133","10.1039/d3ob01062g","","","1.54187","CuKα","","0.1219","0.0912","","","0.2112","0.2313","","","","","","1.043","","","","has coordinates","285522","2023-08-05","09:33:02","" "7159479","13.3948","0.0003","6.5207","0.00014","13.5565","0.0003","90","","111.239","0.008","90","","1103.65","0.07","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H40 O -","- C27 H40 O -","- C54 H80 O2 -","2","1","","Taguchi, Haruki; Kawaguchi, Mayuko; Nagamitsu, Tohru; Ohtawa, Masaki","Concise syntheses of (-)-habiterpenol and (+)-2,3-epi-habiterpenol via redox radical cyclization of alkenylsilane.","Organic & biomolecular chemistry","2023","21","30","6129","6133","10.1039/d3ob01062g","","","1.54187","CuKα","","0.0969","0.0712","","","0.1478","0.1608","","","","","","1.041","","","","has coordinates","285522","2023-08-05","09:33:02","" "7159480","11.4265","0.0002","14.3062","0.0003","27.604","0.0005","90","","90","","90","","4512.42","0.15","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O2 -","- C27 H40 O2 -","- C216 H320 O16 -","8","2","","Taguchi, Haruki; Kawaguchi, Mayuko; Nagamitsu, Tohru; Ohtawa, Masaki","Concise syntheses of (-)-habiterpenol and (+)-2,3-epi-habiterpenol via redox radical cyclization of alkenylsilane.","Organic & biomolecular chemistry","2023","21","30","6129","6133","10.1039/d3ob01062g","","","1.54187","CuKα","","0.1002","0.0594","","","0.1282","0.1519","","","","","","1.037","","","","has coordinates","285522","2023-08-05","09:33:02","" "7159481","11.1261","0.0007","7.8636","0.0005","25.4825","0.0016","90","","90","","90","","2229.5","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H8 Cl N3 O -","- C12 H8 Cl N3 O -","- C96 H64 Cl8 N24 O8 -","8","1","","Zhu, Chen; Zhou, Jubao; Li, Tianxing; Yang, Jiaxin; Jin, Hui; Zhang, Lixin","Access to 2-pyridinones comprising enaminonitriles via AgOAc promoted cascade reactions of thioesters with aminomethylene malononitriles.","Organic & biomolecular chemistry","2023","21","34","6881","6885","10.1039/d3ob00915g","","","0.71073","MoKα","","0.1099","0.0533","","","0.1111","0.1385","","","","","","1.049","","","","has coordinates","286194","2023-09-05","20:23:35","" "7159482","8.98207","0.00019","13.3543","0.0003","29.0314","0.0005","90","","90","","90","","3482.29","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 F N2 O5 -","- C18 H15 F N2 O5 -","- C144 H120 F8 N16 O40 -","8","2","","Wu, Ruoran; Chen, Peng; Chai, Yu; Zhou, Junyu; Ou, Jianhua; Min, Yan; Wang, Haoting; Liang, Guojuan; Zhang, Dong; Zhou, Jing; Zhou, Hui","High diastereo- and enantioselective Michael addition of 3-acetoxy-2-oxindoles with nitroalkenes catalyzed by nickel/PyBisulidine.","Organic & biomolecular chemistry","2023","21","30","6225","6229","10.1039/d3ob01024d","","x-ray","1.54184","CuKα","","0.0587","0.0473","","","0.1165","0.1288","","","","","","1.043","","","","has coordinates","285519","2023-08-05","09:32:41","" "7159483","9.0366","0.0006","9.9845","0.0006","12.3996","0.0008","93.071","0.002","104.114","0.002","110.062","0.0017","1007.52","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15 N O2 S -","- C26 H15 N O2 S -","- C52 H30 N2 O4 S2 -","2","1","","Reddy, Chada Raji; Ajaykumar, Uprety; Patil, Amol D.; Ramesh, Remya","ipso-Cyclization of unactivated biaryl ynones leading to thio-functionalized spirocyclic enones.","Organic & biomolecular chemistry","2023","21","31","6379","6388","10.1039/d3ob00974b","","","0.71073","MoKα","","0.0719","0.0526","","","0.1515","0.1709","","","","","","1.14","","","","has coordinates","286191","2023-09-05","20:23:06","" "7159484","11.679","0.002","15.814","0.003","13.357","0.003","90","","101.12","0.03","90","","2420.6","0.9","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 O5 -","- C30 H22 N2 O5 -","- C120 H88 N8 O20 -","4","1","","Alizadeh, Abdolali; Rostampoor, Azar","Base-promoted synthesis of dihydrochromeno[4,3-d]pyrrolo[3,4-b]pyridines from 4-chloro-3-substituted coumarins and α-aminomaleimides.","Organic & biomolecular chemistry","2023","21","30","6160","6168","10.1039/d3ob00632h","","","0.71073","MoKα","","0.0628","0.0536","","","0.1211","0.1262","","","","","","1.128","","","","has coordinates","285524","2023-08-05","09:33:14","" "7159485","23.599","0.0006","23.599","0.0006","10.4104","0.0004","90","","90","","120","","5020.9","0.3","150","2","150","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C16 H23 F3 N2 O4 -","- C16 H23 F3 N2 O4 -","- C144 H207 F27 N18 O36 -","9","1","","Ghosh, Arun K.; Yadav, Monika","Synthesis of optically active SARS-CoV-2 Mpro inhibitor drug nirmatrelvir (Paxlovid): an approved treatment of COVID-19.","Organic & biomolecular chemistry","2023","21","28","5768","5774","10.1039/d3ob00653k","","","1.54178","CuKα","","0.0262","0.0258","","","0.0692","0.0695","","","","","","1.063","","","","has coordinates,has disorder","285292","2023-07-20","00:52:13","" "7159486","6.911","0.002","20.066","0.007","11.124","0.004","90","","106.903","0.015","90","","1476","0.9","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H5 N7 O10 -","- C10 H5 N7 O10 -","- C40 H20 N28 O40 -","4","1","","Pandey, Krishna; Bhatia, Prachi; Mohammad, Khwaja; Ghule, Vikas D.; Kumar, Dheeraj","Polynitro-functionalized 4-phenyl-1H-pyrazoles as heat-resistant explosives.","Organic & biomolecular chemistry","2023","21","32","6604","6616","10.1039/d3ob00949a","","","0.71073","MoKα","","0.0647","0.0478","","","0.1454","0.1557","","","","","","0.923","","","","has coordinates","286180","2023-09-05","20:21:13","" "7159487","13.2504","0.0007","22.4474","0.0012","7.5543","0.0004","90","","96.148","0.001","90","","2234","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N15 O13 -","- C13 H15 N15 O13 -","- C52 H60 N60 O52 -","4","1","","Pandey, Krishna; Bhatia, Prachi; Mohammad, Khwaja; Ghule, Vikas D.; Kumar, Dheeraj","Polynitro-functionalized 4-phenyl-1H-pyrazoles as heat-resistant explosives.","Organic & biomolecular chemistry","2023","21","32","6604","6616","10.1039/d3ob00949a","","","0.71073","MoKα","","0.0561","0.0459","","","0.1099","0.1164","","","","","","1.038","","","","has coordinates","286180","2023-09-05","20:21:13","" "7159488","15.0786","0.0004","21.5444","0.0007","7.8455","0.0002","90","","93.189","0.002","90","","2544.74","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 N O3 S -","- C30 H37 N O3 S -","- C120 H148 N4 O12 S4 -","4","1","","Kratena, Nicolas; Weil, Matthias; Gärtner, Peter","A biomimetic approach for the concise total synthesis of greenwaylactams A-C.","Organic & biomolecular chemistry","2023","21","31","6317","6319","10.1039/d3ob01001e","","","1.54186","CuKα","","0.059","0.0423","","","0.0957","0.1043","","","","","","1.051","","","","has coordinates","286190","2023-09-05","20:23:01","" "7159489","19.1728","0.0005","12.7276","0.0003","19.2357","0.0006","90","","117.121","0.004","90","","4177.8","0.2","299","1","299","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 N3 O5 -","- C24 H23 N3 O5 -","- C192 H184 N24 O40 -","8","1","","Wang, Maorui; Zhang, Min","Diastereoselective construction of carbo-bridged polyheterocycles by a three-component tandem annulation reaction.","Organic & biomolecular chemistry","2023","21","31","6342","6347","10.1039/d3ob01013a","","x-ray","1.54184","CuKα","","0.0521","0.0447","","","0.1203","0.1249","","","","","","1.061","","","","has coordinates","286189","2023-09-05","20:22:55","" "7159490","10.3471","0.0007","11.5677","0.0008","12.0428","0.0007","83.169","0.005","72.223","0.006","71.119","0.006","1298.42","0.16","113.15","","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N O4 S -","- C31 H27 N O4 S -","- C62 H54 N2 O8 S2 -","2","1","","Cai, Lu-Yu; Song, Xiu-Qing; Wang, Kuo; Zhang, Yue; Zhao, Hong-Wu","Pd-catalyzed decarboxylative 1,4-addition reactions of benzofuran-based azadienes with allyl phenyl carbonates.","Organic & biomolecular chemistry","2023","21","32","6556","6564","10.1039/d3ob00968h","","x-ray","0.71073","MoKα","","0.1322","0.0761","","","0.183","0.2166","","","","","","1.042","","","","has coordinates","286181","2023-09-05","20:21:18","" "7159491","21.1418","0.0011","6.3999","0.0003","27.776","0.0013","90","","96.557","0.004","90","","3733.7","0.3","285","2","285","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H20 F2 O3 S -","- C19 H20 F2 O3 S -","- C152 H160 F16 O24 S8 -","8","1","","Ishu, Km; Prabhakar, Neha Sharma; Singh, Krishna Nand","A regioselective synthesis of β-difluoromethoxy vinyl sulfones via O-difluoromethylation of β-ketosulfones using sodium chlorodifluoroacetate.","Organic & biomolecular chemistry","2023","21","32","6588","6594","10.1039/d3ob01142a","","","1.54184","CuKα","","0.1546","0.106","","","0.2711","0.3195","","","","","","1.044","","","","has coordinates","286789","2023-10-06","00:44:57","" "7159492","6.0743","0.0001","7.2917","0.0001","12.6835","0.0002","90","","100.602","0.001","90","","552.187","0.015","100","0.2","100","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H13 N -","- C16 H13 N -","- C32 H26 N2 -","2","1","","Lin, Tzu-Chun; Chan, Chieh-Kai; Chung, Yi-Hsiu; Wang, Cheng-Chung","Environmentally friendly Nafion-catalyzed synthesis of 3-substituted isoquinoline by using hexamethyldisilazane as a nitrogen source under microwave irradiation.","Organic & biomolecular chemistry","2023","21","36","7316","7326","10.1039/d3ob01032e","","","1.54178","CuKα","","0.0294","0.0292","","","0.08","0.0801","","","","","","1.09","","","","has coordinates","286793","2023-10-06","00:46:26","" "7159493","6.1473","0.0001","7.4004","0.0001","24.669","0.0003","90","","90","","90","","1122.25","0.03","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N -","- C16 H13 N -","- C64 H52 N4 -","4","1","","Lin, Tzu-Chun; Chan, Chieh-Kai; Chung, Yi-Hsiu; Wang, Cheng-Chung","Environmentally friendly Nafion-catalyzed synthesis of 3-substituted isoquinoline by using hexamethyldisilazane as a nitrogen source under microwave irradiation.","Organic & biomolecular chemistry","2023","21","36","7316","7326","10.1039/d3ob01032e","","","1.54178","CuKα","","0.0266","0.026","","","0.0664","0.0666","","","","","","1.04","","","","has coordinates","286793","2023-10-06","00:46:37","" "7159494","12.0705","0.0002","7.4759","0.0001","26.1572","0.0004","90","","97.409","0.001","90","","2340.66","0.06","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O -","- C16 H13 N O -","- C128 H104 N8 O8 -","8","2","","Lin, Tzu-Chun; Chan, Chieh-Kai; Chung, Yi-Hsiu; Wang, Cheng-Chung","Environmentally friendly Nafion-catalyzed synthesis of 3-substituted isoquinoline by using hexamethyldisilazane as a nitrogen source under microwave irradiation.","Organic & biomolecular chemistry","2023","21","36","7316","7326","10.1039/d3ob01032e","","","1.54178","CuKα","","0.0833","0.0473","","","0.1201","0.1289","","","","","","1.059","","","","has coordinates","286793","2023-10-06","00:46:39","" "7159495","5.7924","0.0003","11.1413","0.0005","12.024","0.0006","110.796","0.002","90.433","0.002","91.711","0.002","724.95","0.06","150","2","150","","","","","","","","","5","P 1","P 1","1","","","","- C29 H23 Cl4 N O7 -","- C29 H23 Cl4 N O7 -","- C29 H23 Cl4 N O7 -","1","1","","Yuan, Peng; Liu, Rui; Zhu, Hui-Min; Liao, Zhixin; Xiang, Jia-Chen; Wu, An-Xin","An I2-DMSO catalytic manifold enabled aromatization for C-ring editing of podophyllotoxone.","Organic & biomolecular chemistry","2023","21","32","6468","6473","10.1039/d3ob00927k","","","0.71073","MoKα","","0.0597","0.0526","","","0.1352","0.1408","","","","","","1.112","","","","has coordinates","286179","2023-09-05","20:21:06","" "7159496","23.6452","0.0006","12.0393","0.0003","24.3383","0.0006","90","","93.136","0.002","90","","6918","0.3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 Cl6 N O9 -","- C31 H25 Cl6 N O9 -","- C248 H200 Cl48 N8 O72 -","8","1","","Yuan, Peng; Liu, Rui; Zhu, Hui-Min; Liao, Zhixin; Xiang, Jia-Chen; Wu, An-Xin","An I2-DMSO catalytic manifold enabled aromatization for C-ring editing of podophyllotoxone.","Organic & biomolecular chemistry","2023","21","32","6468","6473","10.1039/d3ob00927k","","","1.54178","CuKα","","0.1224","0.0892","","","0.2709","0.3066","","","","","","1.08","","","","has coordinates","286179","2023-09-05","20:21:06","" "7159497","11.7949","0.0005","10.0157","0.0004","20.5833","0.0011","90","","90.996","0.002","90","","2431.22","0.19","150","2","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 F3 N4 O -","- C30 H21 F3 N4 O -","- C120 H84 F12 N16 O4 -","4","1","","Deng, Yi-Hang; Xu, Wen-Li; Wang, Lei; Tang, Cheng-Yang; Fu, Ji-Ya; Zhang, Chuan-Bao","Regio- and diastereoselective synthesis of diverse spirocyclic indenes by cyclization with indene-dienes as two carbon building blocks.","Organic & biomolecular chemistry","2023","21","33","6681","6686","10.1039/d3ob00982c","","","0.71073","MoKα","","0.1268","0.0616","","","0.1212","0.1525","","","","","","1.017","","","","has coordinates","298703","2025-04-03","05:34:22","" "7159498","9.946","0.005","32.16","0.02","11.104","0.006","90","","110.73","0.016","90","","3322","3","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H37 Cl N2 O2 -","- C40 H37 Cl N2 O2 -","- C160 H148 Cl4 N8 O8 -","4","1","","Deng, Yi-Hang; Xu, Wen-Li; Wang, Lei; Tang, Cheng-Yang; Fu, Ji-Ya; Zhang, Chuan-Bao","Regio- and diastereoselective synthesis of diverse spirocyclic indenes by cyclization with indene-dienes as two carbon building blocks.","Organic & biomolecular chemistry","2023","21","33","6681","6686","10.1039/d3ob00982c","","","0.71073","MoKα","","0.2231","0.0863","","","0.1941","0.2777","","","","","","1.015","","","","has coordinates","298703","2025-04-03","05:34:22","" "7159499","10.8858","0.0002","12.1164","0.0002","12.8017","0.0003","90.79","0.001","90.401","0.001","108.749","0.001","1598.63","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H37 N3 O2 -","- C41 H37 N3 O2 -","- C82 H74 N6 O4 -","2","1","","Deng, Yi-Hang; Xu, Wen-Li; Wang, Lei; Tang, Cheng-Yang; Fu, Ji-Ya; Zhang, Chuan-Bao","Regio- and diastereoselective synthesis of diverse spirocyclic indenes by cyclization with indene-dienes as two carbon building blocks.","Organic & biomolecular chemistry","2023","21","33","6681","6686","10.1039/d3ob00982c","","","1.54178","CuKα","","0.0469","0.0414","","","0.112","0.1157","","","","","","1.056","","","","has coordinates","286186","2023-09-05","20:22:00","" "7159500","8.4142","0.0002","25.3815","0.0004","8.4387","0.0002","90","","119.088","0.003","90","","1574.91","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F3 O3 Se -","- C16 H15 F3 O3 Se -","- C64 H60 F12 O12 Se4 -","4","1","","Radzhabov, Amirbek D.; Soldatova, Natalia S.; Ivanov, Daniil M.; Yusubov, Mekhman S.; Kukushkin, Vadim Yu; Postnikov, Pavel S.","Metal-free and atom-efficient protocol for diarylation of selenocyanate by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","33","6743","6749","10.1039/d3ob00833a","","x-ray","1.54184","CuKα","","0.0778","0.0767","","","0.1803","0.1807","","","","","","1.257","","","","has coordinates","286188","2023-09-05","20:22:12","" "7159501","7.1991","0.0001","14.1649","0.0002","12.8571","0.0002","90","","90.327","0.001","90","","1311.08","0.03","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 N2 O4 Se2 -","- C12 H8 N2 O4 Se2 -","- C48 H32 N8 O16 Se8 -","4","0.5","","Radzhabov, Amirbek D.; Soldatova, Natalia S.; Ivanov, Daniil M.; Yusubov, Mekhman S.; Kukushkin, Vadim Yu; Postnikov, Pavel S.","Metal-free and atom-efficient protocol for diarylation of selenocyanate by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","33","6743","6749","10.1039/d3ob00833a","","x-ray","1.54184","CuKα","","0.03","0.0293","","","0.0817","0.0824","","","","","","1.04","","","","has coordinates","286188","2023-09-05","20:22:13","" "7159502","14.6406","0.0009","4.3593","0.0003","23.6861","0.0019","90","","104.016","0.008","90","","1466.71","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O3 Se -","- C16 H15 N O3 Se -","- C64 H60 N4 O12 Se4 -","4","1","","Radzhabov, Amirbek D.; Soldatova, Natalia S.; Ivanov, Daniil M.; Yusubov, Mekhman S.; Kukushkin, Vadim Yu; Postnikov, Pavel S.","Metal-free and atom-efficient protocol for diarylation of selenocyanate by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","33","6743","6749","10.1039/d3ob00833a","","x-ray","1.54184","CuKα","","0.0925","0.0709","","","0.1714","0.1883","","","","","","1.076","","","","has coordinates","286188","2023-09-05","20:22:13","" "7159503","9.2466","0.0007","11.7371","0.0008","33.379","0.003","90","","90","","90","","3622.6","0.5","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H56 N2 O4 -","- C42 H56 N2 O4 -","- C168 H224 N8 O16 -","4","1","","Borade, Somnath Arjun; Naharwal, Sushma; Bhambri, Himanshi; Mandal, Sanjay K.; Bajaj, Kiran; Chitkara, Deepak; Sakhuja, Rajeev","Synthesis of modified bile acids via palladium-catalyzed C(sp3)-H (hetero)arylation.","Organic & biomolecular chemistry","2023","21","33","6719","6729","10.1039/d3ob00916e","","","0.71073","MoKα","","0.0701","0.0446","","","0.0924","0.1021","","","","","","1.024","","","","has coordinates","286184","2023-09-05","20:21:46","" "7159504","10.4551","0.0008","10.5908","0.0007","14.0367","0.0009","97.348","0.005","110.905","0.007","92.79","0.006","1432.54","0.19","120.01","0.1","120.01","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H44 N4 O2 -","- C32 H44 N4 O2 -","- C64 H88 N8 O4 -","2","1","","Pamuła, Małgorzata; Bulatov, Evgeny; Martínez-Crespo, Luis; Kiesilä, Anniina; Naulapää, Julia; Kalenius, Elina; Helttunen, Kaisa","Anion binding and transport with meso-alkyl substituted two-armed calix[4]pyrroles bearing urea and hydroxyl groups.","Organic & biomolecular chemistry","2023","21","32","6595","6603","10.1039/d3ob00919j","","","1.54184","CuKα","","0.0851","0.0523","","","0.1109","0.1265","","","","","","1.046","","","","has coordinates","286178","2023-09-05","20:20:57","" "7159505","16.5102","0.0009","12.6105","0.0006","20.3179","0.0011","90","","102.428","0.0019","90","","4131.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H50 N6 O4 -","- C48 H50 N6 O4 -","- C192 H200 N24 O16 -","4","0.5","","Pamuła, Małgorzata; Bulatov, Evgeny; Martínez-Crespo, Luis; Kiesilä, Anniina; Naulapää, Julia; Kalenius, Elina; Helttunen, Kaisa","Anion binding and transport with meso-alkyl substituted two-armed calix[4]pyrroles bearing urea and hydroxyl groups.","Organic & biomolecular chemistry","2023","21","32","6595","6603","10.1039/d3ob00919j","","","0.71073","MoKα","","0.0983","0.0503","","","0.1125","0.1311","","","","","","1.031","","","","has coordinates","286178","2023-09-05","20:20:57","" "7159506","18.0787","0.0009","18.1527","0.0005","22.8772","0.0012","90","","108.69","0.005","90","","7111.9","0.6","120.01","0.1","120.01","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C74 H118 Cl2 N10 O5 -","- C74 H118 Cl2 N10 O5 -","- C296 H472 Cl8 N40 O20 -","4","0.5","","Pamuła, Małgorzata; Bulatov, Evgeny; Martínez-Crespo, Luis; Kiesilä, Anniina; Naulapää, Julia; Kalenius, Elina; Helttunen, Kaisa","Anion binding and transport with meso-alkyl substituted two-armed calix[4]pyrroles bearing urea and hydroxyl groups.","Organic & biomolecular chemistry","2023","21","32","6595","6603","10.1039/d3ob00919j","","","1.54184","CuKα","","0.1019","0.0954","","","0.2272","0.2306","","","","","","1.144","","","","has coordinates,has disorder","286178","2023-09-05","20:20:57","" "7159507","8.9833","0.0006","8.8691","0.0005","22.8632","0.0013","90","","95.4001","0.0018","90","","1813.51","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C84 H84 N12 O8 -","4","1","","Pamuła, Małgorzata; Bulatov, Evgeny; Martínez-Crespo, Luis; Kiesilä, Anniina; Naulapää, Julia; Kalenius, Elina; Helttunen, Kaisa","Anion binding and transport with meso-alkyl substituted two-armed calix[4]pyrroles bearing urea and hydroxyl groups.","Organic & biomolecular chemistry","2023","21","32","6595","6603","10.1039/d3ob00919j","","","0.71073","MoKα","","0.0662","0.049","","","0.1255","0.1365","","","","","","1.048","","","","has coordinates","286178","2023-09-05","20:20:57","" "7159508","34.488","0.0003","34.488","0.0003","10.2956","0.0001","90","","90","","90","","12245.8","0.19","120.01","0.1","120.01","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C33 H46 N4 O2.25 -","- C33 H46 N4 O2.25 -","- C528 H736 N64 O36 -","16","1","","Pamuła, Małgorzata; Bulatov, Evgeny; Martínez-Crespo, Luis; Kiesilä, Anniina; Naulapää, Julia; Kalenius, Elina; Helttunen, Kaisa","Anion binding and transport with meso-alkyl substituted two-armed calix[4]pyrroles bearing urea and hydroxyl groups.","Organic & biomolecular chemistry","2023","21","32","6595","6603","10.1039/d3ob00919j","","","1.54184","CuKα","","0.0623","0.0559","","","0.1681","0.177","","","","","","1.032","","","","has coordinates","286178","2023-09-05","20:20:57","" "7159509","10.3501","0.0003","14.2207","0.0003","33.7063","0.0011","90","","98.456","0.003","90","","4907.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H59 N9 O4 -","- C54 H59 N9 O4 -","- C216 H236 N36 O16 -","4","1","","Pamuła, Małgorzata; Bulatov, Evgeny; Martínez-Crespo, Luis; Kiesilä, Anniina; Naulapää, Julia; Kalenius, Elina; Helttunen, Kaisa","Anion binding and transport with meso-alkyl substituted two-armed calix[4]pyrroles bearing urea and hydroxyl groups.","Organic & biomolecular chemistry","2023","21","32","6595","6603","10.1039/d3ob00919j","","","0.71075","MoKα","","0.1161","0.0829","","","0.2049","0.2188","","","","","","1.147","","","","has coordinates","286178","2023-09-05","20:20:57","" "7159510","11.2988","0.0004","29.2753","0.0007","8.8713","0.0003","90","","108.177","0.004","90","","2787.98","0.16","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 Fe N2 O8 -","- C27 H37 Fe N2 O8 -","- C108 H148 Fe4 N8 O32 -","4","1","","Ricca, Michael; Yao, Shaolei; Le, Tommy; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","A cis-β-iron(III) SALPN catalyst for hydrogen atom transfer reductions and olefin cross couplings.","Organic & biomolecular chemistry","2023","21","33","6789","6793","10.1039/d3ob01085f","","x-ray","0.71073","MoKα","","0.0639","0.0399","","","0.0871","0.095","","","","","","1.047","","","","has coordinates","286182","2023-09-05","20:21:33","" "7159511","33.115","0.007","8.069","0.0016","23.502","0.005","90","","128.93","0.03","90","","4885","3","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H31 Fe N2 O6 -","- C26 H31 Fe N2 O6 -","- C208 H248 Fe8 N16 O48 -","8","1","","Ricca, Michael; Yao, Shaolei; Le, Tommy; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","A cis-β-iron(III) SALPN catalyst for hydrogen atom transfer reductions and olefin cross couplings.","Organic & biomolecular chemistry","2023","21","33","6789","6793","10.1039/d3ob01085f","","","0.71073","Synchrotron","","0.0516","0.0466","","","0.1262","0.1313","","","","","","1.07","","","","has coordinates","286182","2023-09-05","20:21:33","" "7159512","7.3197","0.0001","7.1491","0.0001","10.908","0.0002","90","","96.041","0.002","90","","567.638","0.015","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H22 O -","- C13 H22 O -","- C26 H44 O2 -","2","1","","Ricca, Michael; Yao, Shaolei; Le, Tommy; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","A cis-β-iron(III) SALPN catalyst for hydrogen atom transfer reductions and olefin cross couplings.","Organic & biomolecular chemistry","2023","21","33","6789","6793","10.1039/d3ob01085f","","x-ray","1.54184","CuKα","","0.0366","0.0355","","","0.0937","0.0951","","","","","","1.064","","","","has coordinates","286182","2023-09-05","20:21:33","" "7159513","9.35425","0.00016","11.58392","0.00018","21.9396","0.0003","90","","93.5438","0.0015","90","","2372.8","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 O4 Si -","- C25 H34 O4 Si -","- C100 H136 O16 Si4 -","4","1","","Ricca, Michael; Yao, Shaolei; Le, Tommy; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","A cis-β-iron(III) SALPN catalyst for hydrogen atom transfer reductions and olefin cross couplings.","Organic & biomolecular chemistry","2023","21","33","6789","6793","10.1039/d3ob01085f","","x-ray","0.71073","MoKα","","0.1132","0.0555","","","0.1349","0.1572","","","","","","1.024","","","","has coordinates","286182","2023-09-05","20:21:33","" "7159514","7.424","0.0003","8.9236","0.0004","14.0704","0.0006","104.564","0.004","99.048","0.003","94.974","0.004","883.16","0.07","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","ethyl (E)-3-(2-(dimethylamino)-2-oxoethyl)-5,5-dimethyl-4-((methylthio)methyl)hex-2-enoate","","- C16 H29 N O3 S -","- C16 H29 N O3 S -","- C32 H58 N2 O6 S2 -","2","1","","García-Castro, Miguel; Moya-Utrera, Federico; Sarabia, Francisco","Transition metal-free [2,3]-sigmatropic rearrangement in the reaction of sulfur ylides with allenoates.","Organic & biomolecular chemistry","2023","21","30","6096","6102","10.1039/d3ob00657c","","x-ray","1.54184","CuKα","","0.0766","0.0653","","","0.1702","0.1783","","","","","","1.08","","","","has coordinates","285434","2023-08-03","00:47:53","" "7159515","11.3533","0.0002","5.068","0.0001","13.1835","0.0002","90","","101.957","0.002","90","","742.1","0.02","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C36 H26 N2 O6 -","2","1","","Prieto, Elena; Martín, Jorge D; Nieto, Javier; Andrés, Celia","Enantioselective synthesis of 3-hydroxy- and 3-amino-3-alkynyl-2-oxindoles by the dimethylzinc-mediated addition of terminal alkynes to isatins and isatin-derived ketimines.","Organic & biomolecular chemistry","2023","21","34","6940","6948","10.1039/d3ob01023f","","x-ray","1.54184","CuKα","","0.0369","0.0329","","","0.0854","0.0893","","","","","","1.052","","","","has coordinates","286195","2023-09-05","20:23:41","" "7159516","12.1758","0.0003","5.3402","0.0001","21.8778","0.0006","90","","101.147","0.003","90","","1395.68","0.06","298.15","","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H20 Cl4 N2 O2 -","- C30 H20 Cl4 N2 O2 -","- C60 H40 Cl8 N4 O4 -","2","1","","Prieto, Elena; Martín, Jorge D; Nieto, Javier; Andrés, Celia","Enantioselective synthesis of 3-hydroxy- and 3-amino-3-alkynyl-2-oxindoles by the dimethylzinc-mediated addition of terminal alkynes to isatins and isatin-derived ketimines.","Organic & biomolecular chemistry","2023","21","34","6940","6948","10.1039/d3ob01023f","","x-ray","1.54184","CuKα","","0.0532","0.0457","","","0.1139","0.1205","","","","","","1.045","","","","has coordinates","286195","2023-09-05","20:23:41","" "7159517","10.3685","0.0001","10.752","0.0001","15.8732","0.0001","90","","99.443","0.001","90","","1745.6","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 O2 S -","- C23 H18 O2 S -","- C92 H72 O8 S4 -","4","2","","Wang, Xilong; Luo, Yu; Zhao, Jiaji; Luo, Shuang","CPA-catalyzed asymmetric domino thia-Michael/aldol reactions for simultaneous chiral center and axial chirality formation.","Organic & biomolecular chemistry","2023","21","33","6697","6701","10.1039/d3ob01087b","","x-ray","1.54184","CuKα","","0.0385","0.0373","","","0.0998","0.1008","","","","","","1.126","","","","has coordinates","286185","2023-09-05","20:21:52","" "7159518","5.4603","0.0002","20.5881","0.0009","12.9406","0.0006","90","","93.864","0.002","90","","1451.44","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H13 N3 O -","- C18 H13 N3 O -","- C72 H52 N12 O4 -","4","2","","Zhao, Jianbo; Wu, Min; Luo, Jiamin; Shi, Lei; Li, Hao","N-Heterocyclic carbene-catalyzed enantioselective annulation of 2-amino-1H-indoles and bromoenals for the synthesis of chiral 2-aryl-2,3-dihydropyrimido[1,2-a]indol-4 (1H)-ones.","Organic & biomolecular chemistry","2023","21","33","6675","6680","10.1039/d3ob01006f","","","1.54178","CuKα","","0.0812","0.0644","","","0.1718","0.1932","","","","","","1.053","","","","has coordinates","286187","2023-09-05","20:22:06","" "7159519","14.1324","0.0005","8.3919","0.0003","11.1269","0.0004","90","","103.587","0.001","90","","1282.69","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl)pyridine","","- C15 H12 Cl N3 -","- C15 H12 Cl N3 -","- C60 H48 Cl4 N12 -","4","1","","García-Mejía, Carlos D; Hernández-Vázquez, Eduardo; Alejandro Ibarra-Hernández, Javier; Tarbuck-Valle, Atl; Ramírez-Apán, María T","A regioselective synthesis of 3,4-diaryl-1H-pyrazoles through a 1,3-dipolar cycloaddition of tosylhydrazones and nitroalkenes.","Organic & biomolecular chemistry","2023","21","30","6205","6217","10.1039/d3ob00753g","","","0.71073","MoKα","","0.0323","0.0304","","","0.0845","0.0861","","","","","","1.07","","","","has coordinates","285447","2023-08-04","20:15:35","" "7159520","11.754","0.0004","13.704","0.0004","18.2969","0.0005","90","","90","","90","","2947.21","0.15","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H5 F3 N2 O2 -","- C6 H5 F3 N2 O2 -","- C96 H80 F48 N32 O32 -","16","4","","Coufal, Radek; Tošner, Zdeněk; Drahoňovský, Dušan; Vohlídal, Jiří","Hemiacetal-based dynamic systems: a new mechanistic insight.","Organic & biomolecular chemistry","2023","21","34","6956","6968","10.1039/d3ob00668a","","","0.71073","MoKα","","0.0357","0.0304","","","0.0701","0.0728","","","","","","1.023","","","","has coordinates","286196","2023-09-05","20:23:49","" "7159521","8.4072","0.0012","9.8706","0.0014","13.707","0.002","106.49","0.005","93.08","0.005","94.165","0.005","1084.5","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H37 N5 O2 -","- C21 H37 N5 O2 -","- C42 H74 N10 O4 -","2","1","","Wagh, Mahendra A.; Shinde, Dinesh R.; Gamidi, Rama Krishna; Sanjayan, Gangadhar J.","2-Amino-5-methylene-pyrimidine-4,6-dione-based Janus G-C nucleobase as a versatile building block for self-assembly.","Organic & biomolecular chemistry","2023","21","34","6914","6918","10.1039/d3ob01174g","","","0.71073","MoKα","","0.1215","0.0892","","","0.2274","0.255","","","","","","1.069","","","","has coordinates,has disorder","286801","2023-10-06","00:47:44","" "7159522","6.22994","0.00011","10.4767","0.00016","24.3448","0.0004","90","","90","","90","","1588.97","0.05","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Wei, Jiangchun; Li, Zhiyue; Shan, Min; Wu, Fengzhi; Li, Limin; Ma, Yucui; Wu, Junhong; Li, Xinping; Liu, Yaqian; Hu, Zhengxi; Zhang, Yonghui; Wu, Zhengzhi","Discovery of two ent-atisane diterpenoid lactones with AChE inhibitory activity from the roots of Euphorbia fischeriana.","Organic & biomolecular chemistry","2023","21","34","6949","6955","10.1039/d3ob01007d","","x-ray","1.54184","CuKα","","0.0285","0.0281","","","0.0739","0.0744","","","","","","1.089","","","","has coordinates","286193","2023-09-05","20:23:27","" "7159523","8.3871","0.0011","16.0084","0.0017","19.711","0.0019","90","","106.856","0.003","90","","2532.8","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cl I N2 O4 S -","- C25 H22 Cl I N2 O4 S -","- C100 H88 Cl4 I4 N8 O16 S4 -","4","1","","Jiang, Dong-Fang; Qi, Zhenjie; Li, Dengfeng; Wen, Si-Miaomiao; Liu, Zhao; Hao, Wen-Juan; Jiang, Bo","PhI(OAc)2-mediated aminoacyloxylation of β,γ-unsaturated hydrazones using Togni reagent II as an acyloxyl precursor.","Organic & biomolecular chemistry","2023","21","33","6757","6761","10.1039/d3ob01125a","","","1.54178","CuKα","","0.1158","0.0628","","","0.0996","0.1209","","","","","","1.018","","","","has coordinates","286790","2023-10-06","00:45:13","" "7159524","21.044","0.0012","5.1578","0.0003","19.5025","0.0011","90","","119.164","0.002","90","","1848.46","0.19","273.15","","273.15","","","","","","","","","6","C 1 2 1","C 2y","5","","IISRX02RT","","- C19 H16 F3 N O3 S -","- C19 H16 F3 N O3 S -","- C76 H64 F12 N4 O12 S4 -","4","1","","Racochote, Sasirome; Naweephattana, Phiphob; Surawatanawong, Panida; Kuhakarn, Chutima; Leowanawat, Pawaret; Reutrakul, Vichai; Soorukram, Darunee","Base-catalyzed diastereodivergent thia-Michael addition to chiral β-trifluoromethyl-α,β-unsaturated N-acylated oxazolidin-2-ones.","Organic & biomolecular chemistry","2023","21","35","7180","7187","10.1039/d3ob00999h","","x-ray","1.54178","CuKα","K-L~3~","0.0452","0.0417","","","0.116","0.1197","","","","","","1.047","","","","has coordinates","286796","2023-10-06","00:47:09","" "7159525","5.4848","0.0003","11.8755","0.0007","32.4602","0.0019","90","","90","","90","","2114.3","0.2","273.15","","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","II_SR_XRD_03_RT_2","","- C17 H20 F3 N O3 S -","- C17 H20 F3 N O3 S -","- C68 H80 F12 N4 O12 S4 -","4","1","","Racochote, Sasirome; Naweephattana, Phiphob; Surawatanawong, Panida; Kuhakarn, Chutima; Leowanawat, Pawaret; Reutrakul, Vichai; Soorukram, Darunee","Base-catalyzed diastereodivergent thia-Michael addition to chiral β-trifluoromethyl-α,β-unsaturated N-acylated oxazolidin-2-ones.","Organic & biomolecular chemistry","2023","21","35","7180","7187","10.1039/d3ob00999h","","x-ray","1.54178","CuKα","K-L~3~","0.0793","0.0726","","","0.2032","0.2141","","","","","","1.091","","","","has coordinates","286796","2023-10-06","00:47:09","" "7159526","10.3827","0.0003","15.5971","0.0004","19.3486","0.0006","68.486","0.003","74.716","0.003","88.134","0.002","2804.72","0.16","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- C60.5 H50.5 Cl4.5 N9 O6 -","- C60.5 H50.5 Cl4.5 N9 O6 -","- C121 H101 Cl9 N18 O12 -","2","2","","Pike, Sarah J.; Telford, Richard; Male, Louise","Reversible conformational switching of a photo-responsive ortho-azobenzene/2,6-pyridyldicarboxamide heterofoldamer.","Organic & biomolecular chemistry","2023","21","38","7717","7723","10.1039/d3ob01137b","","x-ray","1.54178","CuKα","","0.0661","0.0627","","","0.1733","0.1767","","","","","","1.016","","","","has coordinates,has disorder","286809","2023-10-06","00:48:53","" "7159527","4.7704","0.0002","9.7654","0.0004","26.4117","0.0012","90","","90","","90","","1230.39","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N4 O -","- C14 H14 N4 O -","- C56 H56 N16 O4 -","4","1","","Pike, Sarah J.; Telford, Richard; Male, Louise","Reversible conformational switching of a photo-responsive ortho-azobenzene/2,6-pyridyldicarboxamide heterofoldamer.","Organic & biomolecular chemistry","2023","21","38","7717","7723","10.1039/d3ob01137b","","x-ray","1.54184","CuKα","","0.0403","0.0388","","","0.0969","0.0982","","","","","","1.061","","","","has coordinates","286809","2023-10-06","00:48:53","" "7159528","9.668","0.0001","16.949","0.0002","30.1249","0.0004","90","","90","","90","","4936.35","0.1","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H29 N O6 -","- C28 H29 N O6 -","- C224 H232 N8 O48 -","8","1","","Li, Wenhui; Lin, Jianying; Huang, Shuangping; Liu, Qiang; Wei, Wenlong; Li, Xing","Cycloaddition of N-arylnitrones with donor-acceptor oxiranes via C-C bond cleavage to construct 1,5,2-dioxazinanes.","Organic & biomolecular chemistry","2023","21","33","6778","6782","10.1039/d3ob00375b","","x-ray","1.54184","CuKα","","0.0542","0.0484","","","0.1281","0.1331","","","","","","1.055","","","","has coordinates","286183","2023-09-05","20:21:39","" "7159529","11.7405","0.0007","11.7405","0.0007","16.9107","0.0015","90","","90","","90","","2331","0.3","298","2","298","","","","","","","","","5","P 43","P 4cw","78","","","","- C25 H21 N3 O4 S -","- C25 H21 N3 O4 S -","- C100 H84 N12 O16 S4 -","4","1","","Xue, Aiqi; Wei, Shiqiang; Wei, Xingfu; Huang, Yue; Qu, Jingping; Wang, Baomin","Squaramide-catalyzed asymmetric regioselective allylic alkylation of 4-aminopyrazolones with Morita-Baylis-Hillman carbonates.","Organic & biomolecular chemistry","2023","21","35","7173","7179","10.1039/d3ob01098h","","","0.71073","MoKα","","0.0895","0.058","","","0.1527","0.1722","","","","","","1.017","","","","has coordinates","286798","2023-10-06","00:47:26","" "7159530","9.8337","0.001","10.0674","0.001","11.425","0.0011","70.975","0.003","81.134","0.003","85.203","0.003","1055.84","0.18","272","","272","","","","","","","","","5","P 1","P 1","1","","","","- C43 H36 Cl5 N4 O5 -","- C43 H36 Cl5 N4 O5 -","- C43 H36 Cl5 N4 O5 -","1","1","","Xue, Aiqi; Wei, Shiqiang; Wei, Xingfu; Huang, Yue; Qu, Jingping; Wang, Baomin","Squaramide-catalyzed asymmetric regioselective allylic alkylation of 4-aminopyrazolones with Morita-Baylis-Hillman carbonates.","Organic & biomolecular chemistry","2023","21","35","7173","7179","10.1039/d3ob01098h","","","0.71073","MoKα","","0.1034","0.0663","","","0.1356","0.1498","","","","","","1.037","","","","has coordinates,has disorder","286798","2023-10-06","00:47:27","" "7159531","9.941","0.003","15.496","0.004","10.942","0.003","90","","95.198","0.003","90","","1678.6","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Wang, Jiao-Mei; Zhao, Yu; Li, Wen-Ping; Kong, Xiang-Jun; Yao, Chang-Sheng; Zhang, Kai","Synthesis of tetracyclic dibenzo[b,f][1,4]oxazepine-fused β-lactams via visible-light-induced Staudinger annulation.","Organic & biomolecular chemistry","2023","21","35","7106","7114","10.1039/d3ob01078c","","","0.71073","MoKα","","0.0704","0.05","","","0.1257","0.1404","","","","","","1.033","","","","has coordinates","286797","2023-10-06","00:47:20","" "7159532","13.9007","0.0014","8.9383","0.0008","16.3695","0.0016","90","","100.127","0.003","90","","2002.2","0.3","273","2","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26.57 H22.71 O2 -","- C26.569 H22.707 O2 -","- C106.276 H90.828 O8 -","4","1","","Goel, Komal; Satyanarayana, Gedu","A two-step access to fused-/spiro-polycyclic frameworks via double Heck cascade and acid-driven processes.","Organic & biomolecular chemistry","2023","21","34","6919","6925","10.1039/d3ob01112g","","","0.71073","MoKα","","0.1456","0.0771","","","0.2323","0.279","","","","","","1.071","","","","has coordinates","286802","2023-10-06","00:47:52","" "7159533","9.722","0.005","12.02","0.006","16.073","0.006","90","","90","","90","","1878.3","1.5","273","2","273.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C25 H18 O3 -","- C25 H18 O3 -","- C100 H72 O12 -","4","1","","Goel, Komal; Satyanarayana, Gedu","A two-step access to fused-/spiro-polycyclic frameworks via double Heck cascade and acid-driven processes.","Organic & biomolecular chemistry","2023","21","34","6919","6925","10.1039/d3ob01112g","","","0.71073","MoKα","","0.1723","0.0596","","","0.1217","0.1623","","","","","","0.96","","","","has coordinates","286802","2023-10-06","00:47:52","" "7159534","14.118","0.003","10.404","0.003","18.151","0.004","90","","101.378","0.009","90","","2613.7","1.1","299","2","299","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 O2 -","- C34 H30 O2 -","- C136 H120 O8 -","4","1","","Goel, Komal; Satyanarayana, Gedu","A two-step access to fused-/spiro-polycyclic frameworks via double Heck cascade and acid-driven processes.","Organic & biomolecular chemistry","2023","21","34","6919","6925","10.1039/d3ob01112g","","","0.71073","MoKα","","0.069","0.0454","","","0.1049","0.1173","","","","","","1.029","","","","has coordinates","286802","2023-10-06","00:47:52","" "7159535","9.7342","0.0007","12.3271","0.0009","21.0097","0.0015","98.273","0.002","95.45","0.002","104.946","0.002","2387.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 N O5 S -","- C26 H25 N O5 S -","- C104 H100 N4 O20 S4 -","4","2","","Raji Reddy, Chada; Fatima, Sana; Kolgave, Dattahari H.; Sridhar, Balasubramanian","Radical-mediated sulfonylative/thiolative cyclization of biaryl enones to phenanthrone derivatives.","Organic & biomolecular chemistry","2023","21","36","7327","7338","10.1039/d3ob01068f","","","0.71073","MoKα","","0.1215","0.0641","","","0.1422","0.1715","","","","","","1.009","","","","has coordinates,has disorder","286792","2023-10-06","00:46:14","" "7159536","14.441","0.004","4.9171","0.0015","25.385","0.007","90","","103.485","0.009","90","","1752.8","0.9","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O2 S -","- C23 H20 O2 S -","- C92 H80 O8 S4 -","4","1","","Raji Reddy, Chada; Fatima, Sana; Kolgave, Dattahari H.; Sridhar, Balasubramanian","Radical-mediated sulfonylative/thiolative cyclization of biaryl enones to phenanthrone derivatives.","Organic & biomolecular chemistry","2023","21","36","7327","7338","10.1039/d3ob01068f","","","0.71073","MoKα","","0.1519","0.0772","","","0.1856","0.2386","","","","","","1.002","","","","has coordinates","286792","2023-10-06","00:46:14","" "7159537","10.448","0.009","11.226","0.009","14.378","0.012","111.204","0.017","98.515","0.018","95.224","0.019","1536","2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H46 O2 -","- C35 H46 O2 -","- C70 H92 O4 -","2","1","","Wang, Kunpeng; Li, Jingping; Zhang, Haoxiang; Chen, Yan; Li, Mengfan; Xu, Junju; Liao, Benren; Yi, Weiyin","DMSO-promoted direct δ-selective arylation of p-quinone methenylpiperidine bearinides to generate fuchsones under metal-free conditions by employing p-QMs themselves or substituted phenols as aryl sources.","Organic & biomolecular chemistry","2023","21","35","7151","7157","10.1039/d3ob01018j","","","0.71073","MoKα","","0.2475","0.0965","","","0.2324","0.2933","","","","","","1.035","","","","has coordinates,has disorder","286799","2023-10-06","00:47:32","" "7159538","9.131","0.0004","8.5709","0.0003","13.8389","0.0005","90","","91.507","0.002","90","","1082.67","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Benzyl-3-phenyl-4-(phenylethynyl)-5-(thiophen-2-yl)-1H-pyrrole","","- C29 H21 N S -","- C29 H21 N S -","- C58 H42 N2 S2 -","2","1","","Schmidt, Elena Yu; Tatarinova, Inna V.; Lobanova, Natal'ya A.; Ushakov, Igor A.; Bagryanskaya, Irina Yu; Trofimov, Boris A.","Rapid, room-temperature self-organization of polyarylated 1H-pyrroles from acetylenes and nitriles in the KOBut/DMSO system.","Organic & biomolecular chemistry","2023","21","35","7209","7218","10.1039/d3ob01311a","","","0.71073","MoKα","","0.045","0.033","","","0.0703","0.0756","","","","","","1.022","","","","has coordinates,has disorder","286800","2023-10-06","00:47:37","" "7159539","8.2694","0.00012","11.01204","0.00019","12.41759","0.00017","66.2311","0.0015","74.671","0.0013","76.7962","0.0014","988.49","0.03","99.95","0.16","99.95","0.16","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N4 O5 -","- C22 H22 N4 O5 -","- C44 H44 N8 O10 -","2","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","x-ray","1.54184","CuKα","","0.0373","0.0354","","","0.0922","0.0935","","","","","","1.035","","","","has coordinates","286795","2023-10-06","00:47:01","" "7159540","11.6926","0.0001","11.7439","0.0001","13.5914","0.0001","90","","97.317","0.001","90","","1851.13","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C84 H88 N8 O20 -","4","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","x-ray","1.54184","CuKα","","0.0406","0.039","","","0.1034","0.105","","","","","","1.031","","","","has coordinates","286795","2023-10-06","00:47:01","" "7159541","19.5566","0.0002","9.6517","0.0001","21.0321","0.0002","90","","95.94","0.001","90","","3948.59","0.07","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H23 N5 O5 -","- C19 H23 N5 O5 -","- C152 H184 N40 O40 -","8","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","x-ray","1.54184","CuKα","","0.0567","0.0562","","","0.1258","0.126","","","","","","1.285","","","","has coordinates,has disorder","286795","2023-10-06","00:47:01","" "7159542","10.0344","0.0001","10.7052","0.0001","11.2666","0.0001","70.496","0.001","89.354","0.001","79.094","0.001","1118.45","0.02","99.97","0.1","99.97","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 N3 O5 S -","- C24 H29 N3 O5 S -","- C48 H58 N6 O10 S2 -","2","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","x-ray","1.54184","CuKα","","0.0335","0.0333","","","0.0898","0.09","","","","","","1.051","","","","has coordinates,has disorder","286795","2023-10-06","00:47:01","" "7159543","9.1768","0.0003","9.47","0.0003","21.5491","0.0008","90","","90","","90","","1872.71","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","","0.71073","MoKα","","0.0367","0.0332","","","0.086","0.0889","","","","","","1.062","","","","has coordinates","286795","2023-10-06","00:47:01","" "7159544","9.8084","0.0001","14.3535","0.0001","12.2463","0.0001","90","","108.403","0.001","90","","1635.92","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","x-ray","1.54184","CuKα","","0.0377","0.0369","","","0.0938","0.0944","","","","","","1.061","","","","has coordinates","286795","2023-10-06","00:47:01","" "7159545","19.321","0.0002","7.16745","0.00008","20.949","0.0003","90","","110.033","0.0014","90","","2725.53","0.06","100","0.2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 N4 O6 -","- C30 H32 N4 O6 -","- C120 H128 N16 O24 -","4","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","","1.54184","CuKα","","0.0481","0.0413","","","0.1061","0.1108","","","","","","1.054","","","","has coordinates","286795","2023-10-06","00:47:01","" "7159546","13.407","0.002","7.2877","0.0013","9.884","0.0017","90","","90","","90","","965.7","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H11 F O2 S -","- C9 H11 F O2 S -","- C36 H44 F4 O8 S4 -","4","0.5","","Ma, Yuyang; Pan, Qijun; Ou, Caiyun; Cai, Yinxia; Ma, Xiaoyu; Liu, Chao","Aryl sulfonyl fluoride synthesis via organophotocatalytic fluorosulfonylation of diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","37","7597","7601","10.1039/d3ob01200j","","","0.71073","MoKα","","0.0471","0.0402","","","0.1178","0.1253","","","","","","1.114","","","","has coordinates,has disorder","286784","2023-10-06","00:44:20","" "7159547","11.3559","0.0004","8.1137","0.0002","16.0334","0.0004","90","","101.324","0.003","90","","1448.53","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Peng, Rui-Jun; Chen, Yuan; Zhang, Xue-Jing; Yan, Ming","Regioselective ortho C-H insertion of N-nitrosoanilines with naphthoquinone carbenes.","Organic & biomolecular chemistry","2023","21","37","7525","7529","10.1039/d3ob01104f","","x-ray","1.54184","CuKα","","0.0483","0.0429","","","0.1177","0.1226","","","","","","1.079","","","","has coordinates","286786","2023-10-06","00:44:32","" "7159548","8.1543","0.0002","10.425","0.0002","12.7925","0.0003","66.467","0.001","77.14","0.001","80.707","0.001","968.81","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 Br2 N O3 S -","- C17 H15 Br2 N O3 S -","- C34 H30 Br4 N2 O6 S2 -","2","1","","Ren, Hai; Wang, Rui-An; Shi, Jun; Song, Jun-Rong; Wu, Wei; Chi, Qin; Zhang, Ni","Electrochemical bromocyclization enables 3,5-diversification of heterocyclic indolines.","Organic & biomolecular chemistry","2023","21","36","7290","7294","10.1039/d3ob00985h","","","1.54178","CuKα","","0.0485","0.041","","","0.1077","0.113","","","","","","1.056","","","","has coordinates","298703","2025-04-03","05:34:22","" "7159549","11.5249","0.0009","11.4884","0.001","22.947","0.003","90","","98.346","0.008","90","","3006.1","0.5","114.85","0.1","114.85","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C144 H112 N16 O16 -","8","2","","Lan, Wenjie; Yu, Xuan; Li, Mengzhu; Lei, Rongchao; Qin, Zhaohai; Fu, Bin","A concise approach to 2-pyrrolin-5-one scaffold construction from α-halohydroxamates and β-keto compounds.","Organic & biomolecular chemistry","2023","21","37","7535","7540","10.1039/d3ob01140b","","x-ray","0.71073","MoKα","","0.071","0.0551","","","0.1118","0.1253","","","","","","1.023","","","","has coordinates","286788","2023-10-06","00:44:46","" "7159550","8.3944","0.0005","10.9479","0.0008","15.5175","0.0009","76.896","0.006","86.581","0.005","70.851","0.006","1311.92","0.16","118.25","0.1","118.25","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N4 O6 -","- C29 H26 N4 O6 -","- C58 H52 N8 O12 -","2","1","","Lan, Wenjie; Yu, Xuan; Li, Mengzhu; Lei, Rongchao; Qin, Zhaohai; Fu, Bin","A concise approach to 2-pyrrolin-5-one scaffold construction from α-halohydroxamates and β-keto compounds.","Organic & biomolecular chemistry","2023","21","37","7535","7540","10.1039/d3ob01140b","","x-ray","0.71073","MoKα","","0.1261","0.0764","","","0.1665","0.2052","","","","","","1.021","","","","has coordinates","286788","2023-10-06","00:44:46","" "7159551","8.9695","0.0004","10.9993","0.0005","11.5562","0.0005","62.1699","0.001","79.6611","0.001","79.0306","0.001","984.41","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 N2 O8 -","- C44 H46 N2 O8 -","- C44 H46 N2 O8 -","1","0.5","","Budnikov, Alexander S.; Krylov, Igor B.; Lastovko, Andrey V.; Dolotov, Roman A.; Shevchenko, Mikhail I.; Terent'ev, Alexander O.","The diacetyliminoxyl radical in oxidative functionalization of alkenes.","Organic & biomolecular chemistry","2023","21","38","7758","7766","10.1039/d3ob00925d","","","0.71073","MoKα","","0.0653","0.0474","","","0.1074","0.1208","","","","","","1.052","","","","has coordinates,has disorder","286807","2023-10-06","00:48:37","" "7159552","11.2566","0.0002","5.4186","0.0001","18.4668","0.0003","90","","92.997","0.001","90","","1124.84","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C48 H48 N4 O12 -","2","0.5","","Budnikov, Alexander S.; Krylov, Igor B.; Lastovko, Andrey V.; Dolotov, Roman A.; Shevchenko, Mikhail I.; Terent'ev, Alexander O.","The diacetyliminoxyl radical in oxidative functionalization of alkenes.","Organic & biomolecular chemistry","2023","21","38","7758","7766","10.1039/d3ob00925d","","x-ray","1.54184","CuKα","","0.0466","0.0441","","","0.1203","0.1223","","","","","","1.1","","","","has coordinates","286807","2023-10-06","00:48:37","" "7159553","11.6766","0.0003","15.178","0.0004","12.1389","0.0003","90","","104.95","0.002","90","","2078.53","0.09","99.9","0.2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O5 -","- C24 H22 N2 O5 -","- C96 H88 N8 O20 -","4","1","","Budnikov, Alexander S.; Krylov, Igor B.; Lastovko, Andrey V.; Dolotov, Roman A.; Shevchenko, Mikhail I.; Terent'ev, Alexander O.","The diacetyliminoxyl radical in oxidative functionalization of alkenes.","Organic & biomolecular chemistry","2023","21","38","7758","7766","10.1039/d3ob00925d","","","1.54184","CuKα","","0.0707","0.0655","","","0.174","0.1776","","","","","","1.044","","","","has coordinates,has disorder","286807","2023-10-06","00:48:37","" "7159554","7.3422","0.0016","14.469","0.003","13.051","0.003","90","","102.207","0.007","90","","1355.1","0.5","273","","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 S6 -","- C32 H24 S6 -","- C64 H48 S12 -","2","0.5","","Mishra, Vishnu; Udaya, Hosahalli S.; Anand, Venkataramanarao G.","Tetra S-confused porphyrinoids.","Organic & biomolecular chemistry","2023","21","38","7691","7695","10.1039/d3ob01270k","","","0.71073","MoKα","","0.1023","0.0551","","","0.1449","0.1724","","","","","","1.025","","","","has coordinates","286808","2023-10-06","00:48:45","" "7159555","5.446","0.003","12.775","0.006","22.985","0.01","76.667","0.015","88.76","0.015","81.168","0.015","1537.4","1.3","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H30 S6 -","- C36 H30 S6 -","- C72 H60 S12 -","2","1","","Mishra, Vishnu; Udaya, Hosahalli S.; Anand, Venkataramanarao G.","Tetra S-confused porphyrinoids.","Organic & biomolecular chemistry","2023","21","38","7691","7695","10.1039/d3ob01270k","","","0.71073","MoKα","","0.2341","0.08","","","0.1615","0.2278","","","","","","0.885","","","","has coordinates","286808","2023-10-06","00:48:46","" "7159556","23.035","0.004","4.0257","0.0006","23.664","0.004","90","","114.896","0.004","90","","1990.5","0.6","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 S4 -","- C24 H20 S4 -","- C96 H80 S16 -","4","0.5","","Mishra, Vishnu; Udaya, Hosahalli S.; Anand, Venkataramanarao G.","Tetra S-confused porphyrinoids.","Organic & biomolecular chemistry","2023","21","38","7691","7695","10.1039/d3ob01270k","","","0.71073","MoKα","","0.0682","0.0401","","","0.088","0.0989","","","","","","1.022","","","","has coordinates","286808","2023-10-06","00:48:46","" "7159557","15.595","0.006","17.734","0.007","17.811","0.007","90","","108.212","0.009","90","","4679","3","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C84 H20 S4 -","- C84 H20 S4 -","- C336 H80 S16 -","4","1","","Mishra, Vishnu; Udaya, Hosahalli S.; Anand, Venkataramanarao G.","Tetra S-confused porphyrinoids.","Organic & biomolecular chemistry","2023","21","38","7691","7695","10.1039/d3ob01270k","","","0.71073","MoKα","","0.2907","0.0938","","","0.182","0.2646","","","","","","0.971","","","","has coordinates","286808","2023-10-06","00:48:46","" "7159558","27.6191","0.0012","9.9208","0.0005","20.1969","0.0008","90","","120.649","0.002","90","","4761","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C200 H232 N8 O24 -","8","1","","Winge, Tobias; Schepmann, Dirk; Schmidt, Judith; Daniliuc, Constantin; Würthwein, Ernst-Ulrich; Wünsch, Bernhard","Diastereoselective synthesis and structure-affinity relationships of σ1 receptor ligands with spirocyclic scaffold.","Organic & biomolecular chemistry","2023","21","38","7730","7752","10.1039/d3ob01169k","","x-ray","1.54178","CuKα","","0.075","0.05","","","0.113","0.1257","","","","","","1.033","","","","has coordinates","286804","2023-10-06","00:48:13","" "7159559","9.8436","0.0004","18.806","0.0007","18.806","0.0007","90","","90","","90","","3481.3","0.2","273.15","","273.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ukaji 6","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","1","","Ohno, Haruki; Takahashi, Ryosuke; Suga, Takuya; Soeta, Takahiro; Ukaji, Yutaka","Divergent transformation of C,N-cyclic-N'-acyl azomethine imines by reaction with diazo compounds.","Organic & biomolecular chemistry","2023","21","39","7891","7894","10.1039/d3ob01165h","","","1.54178","CuKα","","0.0369","0.0347","","","0.0853","0.0871","","","","","","1.038","","","","has coordinates","287415","2023-11-06","08:21:55","" "7159560","4.9174","0.0003","16.0704","0.0009","11.619","0.0007","90","","90.199","0.003","90","","918.18","0.09","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ukaji 4a","","- C20 H20 N4 O3 -","- C20 H20 N4 O3 -","- C40 H40 N8 O6 -","2","1","","Ohno, Haruki; Takahashi, Ryosuke; Suga, Takuya; Soeta, Takahiro; Ukaji, Yutaka","Divergent transformation of C,N-cyclic-N'-acyl azomethine imines by reaction with diazo compounds.","Organic & biomolecular chemistry","2023","21","39","7891","7894","10.1039/d3ob01165h","","","1.54178","CuKα","","0.0573","0.0562","","","0.1587","0.1597","","","","","","1.075","","","","has coordinates,has disorder","287415","2023-11-06","08:21:58","" "7159561","27.15","0.05","9.961","0.016","8.81","0.015","90","","90.85","0.04","90","","2382","7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O2 S -","- C25 H24 N2 O2 S -","- C100 H96 N8 O8 S4 -","4","1","","Fan, Yongbo; Xu, Shengting; Cai, Xinxin; Hou, Zhijing; Chen, Tianxiang; Fu, Guozhang; Zhu, Zhongzhi; Chen, Xiuwen","Bifunctionalization of styrene through ring-opening-recombination strategy of phenylpropathiazole salt.","Organic & biomolecular chemistry","2023","21","37","7593","7596","10.1039/d3ob01271a","","","0.71073","MoKα","","0.1734","0.0789","","","0.1554","0.1893","","","","","","1.052","","","","has coordinates","286787","2023-10-06","00:44:39","" "7159562","9.131","0.0004","8.5709","0.0003","13.8389","0.0005","90","","91.507","0.002","90","","1082.67","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Benzyl-3-phenyl-4-(phenylethynyl)-5-(thiophen-2-yl)-1H-pyrrole","","- C29 H21 N S -","- C29 H21 N S -","- C58 H42 N2 S2 -","2","1","","Xie, Xin; Huang, He; Fan, Yu; Luo, Yuan; Pang, Qiwen; Li, Xiang; Huang, Wei","Assembly of spirocyclic pyrazolone-pyrrolo[4,3,2-de]quinoline skeleton via cascade [1,5] hydride transfer/cyclization by C(sp3)-H functionalization.","Organic & biomolecular chemistry","2023","21","36","7300","7304","10.1039/d3ob01063e","","","0.71073","MoKα","","0.045","0.033","","","0.0703","0.0756","","","","","","1.022","","","","has coordinates,has disorder","286791","2023-10-06","00:46:06","" "7159563","24.2499","0.0008","8.8129","0.0003","20.6678","0.0006","90","","108.763","0.001","90","","4182.2","0.2","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O3 -","- C26 H24 O3 -","- C208 H192 O24 -","8","2","","Jantrapirom, Jantra; Yongpanich, Phornphan; Tummatorn, Jumreang; Chainok, Kittipong; Jiajaroen, Suwadee; Thongsornkleeb, Charnsak; Ruchirawat, Somsak","Selective electrophilic cyclization of ortho-carbonylarylacetylenols for the synthesis of cyclopenta[a]naphthalenol and 2-phenylnaphthalen-1-ol analogs.","Organic & biomolecular chemistry","2023","21","42","8500","8515","10.1039/d3ob01344h","","x-ray","0.71073","MoKα","K-L~3~","0.0931","0.0577","","","0.1306","0.1503","","","","","","1.054","","","","has coordinates,has disorder","287410","2023-11-06","08:20:59","" "7159564","8.9346","0.0005","10.7463","0.0006","11.7878","0.0006","67.915","0.002","80.436","0.002","65.89","0.001","957.15","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 Cl O2 -","- C26 H21 Cl O2 -","- C52 H42 Cl2 O4 -","2","1","","Jantrapirom, Jantra; Yongpanich, Phornphan; Tummatorn, Jumreang; Chainok, Kittipong; Jiajaroen, Suwadee; Thongsornkleeb, Charnsak; Ruchirawat, Somsak","Selective electrophilic cyclization of ortho-carbonylarylacetylenols for the synthesis of cyclopenta[a]naphthalenol and 2-phenylnaphthalen-1-ol analogs.","Organic & biomolecular chemistry","2023","21","42","8500","8515","10.1039/d3ob01344h","","x-ray","1.54178","CuKα","K-L~3~","0.0434","0.0429","","","0.12","0.1204","","","","","","1.089","","","","has coordinates,has disorder","287410","2023-11-06","08:20:59","" "7159565","8.672","0.002","10.126","0.003","12.865","0.004","80.213","0.01","76.589","0.009","67.977","0.009","1014.4","0.5","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 O4 -","- C26 H22 O4 -","- C52 H44 O8 -","2","1","","Jantrapirom, Jantra; Yongpanich, Phornphan; Tummatorn, Jumreang; Chainok, Kittipong; Jiajaroen, Suwadee; Thongsornkleeb, Charnsak; Ruchirawat, Somsak","Selective electrophilic cyclization of ortho-carbonylarylacetylenols for the synthesis of cyclopenta[a]naphthalenol and 2-phenylnaphthalen-1-ol analogs.","Organic & biomolecular chemistry","2023","21","42","8500","8515","10.1039/d3ob01344h","","x-ray","0.71073","MoKα","K-L~3~","0.0917","0.0732","","","0.1588","0.1683","","","","","","1.099","","","","has coordinates,has disorder","287410","2023-11-06","08:20:59","" "7159566","16.4838","0.0004","11.3226","0.0003","8.5334","0.0002","90","","98.046","0.001","90","","1576.99","0.07","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl O2 -","- C19 H15 Cl O2 -","- C76 H60 Cl4 O8 -","4","1","","Sreenivasulu, Gottam; Sridhar, Balasubramanian; Karunakar, Galla V.","Dual gold-catalyzed regioselective synthesis of benzofulvenes via 5-endo dig cyclization.","Organic & biomolecular chemistry","2023","21","38","7799","7807","10.1039/d3ob01079a","","","0.71073","MoKα","","0.0953","0.046","","","0.1168","0.1462","","","","","","1.018","","","","has coordinates","286806","2023-10-06","00:48:29","" "7159567","20.6627","0.0008","5.9304","0.0002","23.2569","0.0009","90","","114.236","0.001","90","","2598.68","0.17","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 N2 O4 -","- C33 H28 N2 O4 -","- C132 H112 N8 O16 -","4","1","","Hao, Liqiang; Wang, Zhichao; Wang, Yangyang; Yang, Zhaoziyuan; Liu, Xian; Xu, Xiaobo; Ji, Yafei","Synthesis of pyrazoles from sulfonyl hydrazone and benzyl acrylate under transition-metal-free conditions.","Organic & biomolecular chemistry","2023","21","37","7611","7615","10.1039/d3ob01172k","","","1.54178","CuKα","","0.0463","0.037","","","0.0944","0.0968","","","","","","1.098","","","","has coordinates,has disorder","286785","2023-10-06","00:44:26","" "7159568","10.264","0.003","8.475","0.002","22.934","0.006","90","","94.71","0.03","90","","1988.2","0.9","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O3 S2 -","- C22 H20 O3 S2 -","- C88 H80 O12 S8 -","4","1","","Yu, Shi-Wei; Chen, Zu-Jia; Chen, Zhao-Hua; Chen, Si-Hong; Yang, Kai; Xu, Wen-Jin; Wang, Zhao-Yang","Trace water in a BF3·OEt2 system: a facile access to sulfinyl alkenylsulfones from alkynes and sodium sulfinates.","Organic & biomolecular chemistry","2023","21","38","7776","7781","10.1039/d3ob01249b","","x-ray","0.71073","MoKα","","0.1266","0.0718","","","0.136","0.1606","","","","","","1.062","","","","has coordinates","286805","2023-10-06","00:48:19","" "7159569","8.4367","0.0009","10.2011","0.0007","24.4853","0.0015","101.895","0.006","92.033","0.007","91.343","0.007","2059.7","0.3","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 F O3 S2 -","- C22 H19 F O3 S2 -","- C88 H76 F4 O12 S8 -","4","2","","Yu, Shi-Wei; Chen, Zu-Jia; Chen, Zhao-Hua; Chen, Si-Hong; Yang, Kai; Xu, Wen-Jin; Wang, Zhao-Yang","Trace water in a BF3·OEt2 system: a facile access to sulfinyl alkenylsulfones from alkynes and sodium sulfinates.","Organic & biomolecular chemistry","2023","21","38","7776","7781","10.1039/d3ob01249b","","x-ray","0.71073","MoKα","","0.0999","0.0614","","","0.114","0.133","","","","","","1.057","","","","has coordinates","286805","2023-10-06","00:48:19","" "7159570","7.7599","0.0008","11.1126","0.0009","24.7491","0.0014","82.51","0.006","83.524","0.007","69.585","0.009","1977.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 I N2 Se -","- C22 H23 I N2 Se -","- C88 H92 I4 N8 Se4 -","4","2","","Mondal, Iswar Chandra; Rawat, Priya; Galkin, Maksym; Deka, Snata; Karmakar, Anirban; Mondal, Prosenjit; Ghosh, Subrata","Julolidine-based small molecular probes for fluorescence imaging of RNA in live cells.","Organic & biomolecular chemistry","2023","21","38","7831","7840","10.1039/d3ob01314f","","","1.54184","CuKα","","0.0594","0.0504","","","0.1304","0.142","","","","","","0.972","","","","has coordinates","295862","2024-11-09","12:08:12","" "7159571","7.6612","0.0003","8.6533","0.0003","8.7731","0.0003","107.81","0.0012","94.3444","0.0013","95.6658","0.0013","547.57","0.03","180","","180","","","","","","","","","5","P -1","-P 1","2","","1-(perfluoroethyl)-1H-indole-2-carboxylic acid","","- C11 H6 F5 N O2 -","- C11 H6 F5 N O2 -","- C22 H12 F10 N2 O4 -","2","1","","Bakhanovich, Olga; Klepetářová, Blanka; Beier, Petr","Rhodium(II)-catalyzed transannulation approach to N-fluoroalkylated indoles.","Organic & biomolecular chemistry","2023","21","39","7924","7927","10.1039/d3ob01415k","","x-ray","1.54178","CuKα","","0.0438","0.0438","","0.0555","0.0555","0.0555","","","","","","1.0102","","","","has coordinates","287414","2023-11-06","08:21:35","" "7159572","8.8519","0.0009","9.9144","0.0011","12.8442","0.0014","108.28","0.001","93.063","0.001","108.366","0.001","1001.21","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","1","","He, Heng; Liu, Jian-Quan; Wang, Xiang-Shan","Synthesis of pyrimidine-fused skeletons through copper-catalyzed consecutive Sonogashira coupling and aminocyclization.","Organic & biomolecular chemistry","2023","21","39","7886","7890","10.1039/d3ob01248d","","","0.71073","MoKα","","0.0474","0.0415","","","0.1137","0.1201","","","","","","1.057","","","","has coordinates","287418","2023-11-06","08:22:51","" "7159573","11.023","0.004","14.004","0.006","13.233","0.005","90","","114.61","","90","","1857.2","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N2 O -","- C26 H18 N2 O -","- C104 H72 N8 O4 -","4","1","","He, Heng; Liu, Jian-Quan; Wang, Xiang-Shan","Synthesis of pyrimidine-fused skeletons through copper-catalyzed consecutive Sonogashira coupling and aminocyclization.","Organic & biomolecular chemistry","2023","21","39","7886","7890","10.1039/d3ob01248d","","","0.71073","MoKα","","0.0762","0.0441","","","0.0802","0.0854","","","","","","0.968","","","","has coordinates","287418","2023-11-06","08:22:53","" "7159574","9.81","0.007","10.948","0.008","11.015","0.008","61.711","0.008","82.606","0.009","76.072","0.009","1010.9","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N4 O -","- C24 H22 N4 O -","- C48 H44 N8 O2 -","2","1","","He, Heng; Liu, Jian-Quan; Wang, Xiang-Shan","Synthesis of pyrimidine-fused skeletons through copper-catalyzed consecutive Sonogashira coupling and aminocyclization.","Organic & biomolecular chemistry","2023","21","39","7886","7890","10.1039/d3ob01248d","","","0.71073","MoKα","","0.0578","0.0482","","","0.132","0.142","","","","","","1.04","","","","has coordinates","287418","2023-11-06","08:22:58","" "7159575","8.09","0.004","11.34","0.006","15.677","0.008","73.356","0.017","87.625","0.016","79.487","0.017","1354.7","1.2","188","","188","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H20 N4 O5 S -","- C31 H20 N4 O5 S -","- C62 H40 N8 O10 S2 -","2","1","","Banik, Dipanjan; Karak, Anirban; Halder, Satyajit; Banerjee, Shilpita; Mandal, Moumi; Maiti, Anwesha; Jana, Kuladip; Mahapatra, Ajit Kumar","A turn-on fluorescent probe for selective detection of H2S in environmental samples and bio-imaging in human breast cancer cells.","Organic & biomolecular chemistry","2023","21","39","8020","8030","10.1039/d3ob01319g","","","0.71073","MoKα","","0.0929","0.0711","","","0.2105","0.242","","","","","","1.008","","","","has coordinates","287417","2023-11-06","08:22:35","" "7159576","6.1315","0.0004","10.338","0.0007","23.2076","0.0016","90","","90","","90","","1471.07","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C56 H64 N8 O24 -","4","1","","Teo, Hong Kang; Sae-Lao, Patcharaporn; Bates, Roderick W.","Confirmation of the structure of (±)-preisomide by total synthesis.","Organic & biomolecular chemistry","2023","21","39","7954","7959","10.1039/d3ob01250f","","","1.54178","CuKα","","0.032","0.0315","","","0.0889","0.0892","","","","","","1.534","","","","has coordinates","287416","2023-11-06","08:22:16","" "7159577","10.1865","0.0003","8.189","0.00017","19.2034","0.0004","90","","96.644","0.002","90","","1591.14","0.07","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 S2 -","- C17 H26 S2 -","- C68 H104 S8 -","4","1","","Degroote, Frederick; Denoo, Bram; Ryckaert, Bram; Callebaut, Brenda; Van Hecke, Kristof; Hullaert, Jan; Winne, Johan M.","Dithioallyl cation (3 + 2) cycloadditions under aprotic reaction conditions: rapid access to spiro-fused cyclopentane scaffolds.","Organic & biomolecular chemistry","2023","21","40","8117","8124","10.1039/d3ob01273e","","x-ray","1.54184","CuKα","","0.0317","0.0295","","","0.079","0.081","","","","","","1.05","","","","has coordinates","287419","2023-11-06","08:23:29","" "7159578","9.22","0.003","27.478","0.009","8.339","0.003","90","","118.518","0.011","90","","1856.3","1.1","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H16 Br N O6 -","- C17 H16 Br N O6 -","- C68 H64 Br4 N4 O24 -","4","1","","Li, Yu; Wang, Mei; Ma, Rongrong; Niu, Rui; Wang, Haodong; Zhang, Yantu; Lin, Jun-Bing","Organocatalytic allylic alkylation of alkyne-substituted MBH carbonates: access to quaternary carbon-containing 1,4-enynes.","Organic & biomolecular chemistry","2023","21","41","8263","8266","10.1039/d3ob01317k","","x-ray","0.71073","MoKα","","0.0622","0.0398","","","0.0831","0.0926","","","","","","1.033","","","","has coordinates","287407","2023-11-06","08:19:46","" "7159579","9.065","0.002","14.72","0.003","31.665","0.009","102.672","0.011","97.28","0.012","94.451","0.007","4064.8","1.7","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O8 -","- C19 H21 N O8 -","- C152 H168 N8 O64 -","8","4","","Li, Yu; Wang, Mei; Ma, Rongrong; Niu, Rui; Wang, Haodong; Zhang, Yantu; Lin, Jun-Bing","Organocatalytic allylic alkylation of alkyne-substituted MBH carbonates: access to quaternary carbon-containing 1,4-enynes.","Organic & biomolecular chemistry","2023","21","41","8263","8266","10.1039/d3ob01317k","","x-ray","0.71073","MoKα","","0.1931","0.111","","","0.2854","0.3516","","","","","","1.049","","","","has coordinates,has disorder","287407","2023-11-06","08:19:46","" "7159580","10.1369","0.0007","11.3965","0.0008","15.5049","0.0011","90","","98.344","0.007","90","","1772.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","He, Fengya; Sun, Ziyi; Li, Chenyue; Jiang, Zibin; Miao, Hui; Li, Qinglin; Wu, Chenggui","Regioselective [2 + 1] photocycloaddition of 2-pyridones with diazo compounds.","Organic & biomolecular chemistry","2023","21","41","8273","8278","10.1039/d3ob01354e","","x-ray","0.71073","MoKα","","0.0711","0.0512","","","0.1366","0.1496","","","","","","1.072","","","","has coordinates","287403","2023-11-06","08:18:11","" "7159581","11.0203","0.0006","12.3994","0.0006","13.7932","0.0008","90","","110.799","0.006","90","","1761.95","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","He, Fengya; Sun, Ziyi; Li, Chenyue; Jiang, Zibin; Miao, Hui; Li, Qinglin; Wu, Chenggui","Regioselective [2 + 1] photocycloaddition of 2-pyridones with diazo compounds.","Organic & biomolecular chemistry","2023","21","41","8273","8278","10.1039/d3ob01354e","","x-ray","0.71073","MoKα","","0.0767","0.0564","","","0.1754","0.192","","","","","","1.055","","","","has coordinates","287403","2023-11-06","08:18:18","" "7159582","13.9327","0.0003","11.0108","0.0003","19.2787","0.0004","90","","103.663","0.002","90","","2873.86","0.12","300.89","0.1","300.89","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 -","- C18 H18 N2 -","- C144 H144 N16 -","8","2","","Zhang, Yi-Fan; Chen, Han-Nan; Xiao, Yi; Cui, Zhencun; Wang, Wei David; Xu, Guo-Qiang","Organic photoredox catalyzed C(sp3)-H functionalization of saturated aza-heterocycles via a cross-dehydrogenative coupling reaction.","Organic & biomolecular chemistry","2023","21","41","8284","8288","10.1039/d3ob01438j","","x-ray","1.54184","CuKα","","0.0566","0.0406","","","0.1128","0.1229","","","","","","1.055","","","","has coordinates","295862","2024-11-09","12:08:12","" "7159583","5.8727","0.0002","9.1764","0.0003","15.6457","0.0005","76.228","0.001","82.963","0.001","83.75","0.001","809.96","0.05","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 Br O4 -","- C18 H15 Br O4 -","- C36 H30 Br2 O8 -","2","1","","Yan, Maying; Xiao, Lei; Xiong, Jiangkun; Jin, Lvnan; Stephan, Douglas W.; Guo, Jing","Borane catalyzed transesterification of tert-butyl esters using α-aryl α-diazoesters.","Organic & biomolecular chemistry","2023","21","41","8279","8283","10.1039/d3ob01548c","","","1.54178","CuKα","","0.0304","0.0292","","","0.0685","0.0693","","","","","","1.063","","","","has coordinates","287404","2023-11-06","08:18:45","" "7159584","8.7254","0.0005","11.1393","0.0006","12.4388","0.0007","85.519","0.002","73.196","0.002","87.607","0.002","1153.59","0.11","294","2","294","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Br N O5 -","- C26 H20 Br N O5 -","- C52 H40 Br2 N2 O10 -","2","1","","Yan, Maying; Xiao, Lei; Xiong, Jiangkun; Jin, Lvnan; Stephan, Douglas W.; Guo, Jing","Borane catalyzed transesterification of tert-butyl esters using α-aryl α-diazoesters.","Organic & biomolecular chemistry","2023","21","41","8279","8283","10.1039/d3ob01548c","","","1.54178","CuKα","","0.0431","0.038","","","0.0916","0.0955","","","","","","1.058","","","","has coordinates","287404","2023-11-06","08:18:52","" "7159585","15.6014","0.0004","16.7367","0.0004","17.4153","0.0004","90","","90","","90","","4547.41","0.19","150","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H27 N O5 -","- C25 H27 N O5 -","- C200 H216 N8 O40 -","8","1","","Yan, Maying; Xiao, Lei; Xiong, Jiangkun; Jin, Lvnan; Stephan, Douglas W.; Guo, Jing","Borane catalyzed transesterification of tert-butyl esters using α-aryl α-diazoesters.","Organic & biomolecular chemistry","2023","21","41","8279","8283","10.1039/d3ob01548c","","","1.54178","CuKα","","0.0575","0.0463","","","0.1213","0.1305","","","","","","1.059","","","","has coordinates","287404","2023-11-06","08:18:55","" "7159586","7.7332","0.0003","8.4891","0.0004","24.0949","0.0009","90","","95.619","0.002","90","","1574.18","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","relB82 - 17ECA001","","","- C32 H47 N O5 Si -","- C32 H47 N O5 Si -","- C64 H94 N2 O10 Si2 -","2","1","","Reza, David; Balo, Rosalino; Otero, José M; Fletcher, Ai M.; García-Fandino, Rebeca; Sánchez-Pedregal, Víctor M; Davies, Stephen G.; Estévez, Ramón J; Estévez, Juan C","β-Peptides incorporating polyhydroxylated cyclohexane β-amino acid: synthesis and conformational study.","Organic & biomolecular chemistry","2023","21","42","8535","8547","10.1039/d3ob00906h","","","0.71073","MoKα","","0.051","0.0424","","","0.0817","0.0849","","","","","","1.052","","","","has coordinates","287411","2023-11-06","08:21:09","" "7159587","8.0778","0.0005","20.7672","0.0014","11.4161","0.0008","90","","98.705","0.005","90","","1893","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C92 H72 N8 O12 S4 -","4","1","","Kahar, Nilesh M.; Jadhav, Pankaj P.; Dawande, Sudam G.","Rhodium(II)-catalyzed synthesis of 2-aminoquinoline derivatives from 2-quinolones and N-sulfonyl-1,2,3-triazoles.","Organic & biomolecular chemistry","2023","21","41","8267","8272","10.1039/d3ob00971h","","x-ray","0.71073","MoKα","","0.0839","0.0523","","","0.1103","0.1216","","","","","","1.05","","","","has coordinates","287406","2023-11-06","08:19:29","" "7159588","10.1642","0.0002","11.1077","0.0002","12.6071","0.0002","67.633","0.002","85.524","0.001","70.287","0.002","1237.05","0.05","99.98","0.1","99.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Cl N2 O4 S -","- C27 H25 Cl N2 O4 S -","- C54 H50 Cl2 N4 O8 S2 -","2","1","","Rao, Han-Wen; Zhao, Tian-Lan; Wang, Long; Deng, Hong-Dan; Zhang, Yan-Ping; You, Yong; Wang, Zhen-Hua; Zhao, Jian-Qiang; Yuan, Wei-Cheng","Palladium-catalyzed decarboxylative α-allylation of thiazolidinones and azlactones with sulfonamido-substituted acyclic allylic carbonates.","Organic & biomolecular chemistry","2023","21","42","8593","8602","10.1039/d3ob01404e","","x-ray","1.54184","CuKα","","0.0373","0.0365","","","0.0976","0.0982","","","","","","1.05","","","","has coordinates","287412","2023-11-06","08:21:18","" "7159589","6.0452","0.0003","10.044","0.0005","9.6566","0.0004","90","","90.901","0.002","90","","586.26","0.05","173","2","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C24 H36 N4 O4 -","2","1","","Lv, Xiao-Xiong; Liu, Ning; Chen, Fei; Zhang, Hao; Du, Zhi-Hong; Wang, Pei; Yuan, Meng; Da, Chao Shan","Highly asymmetric aldol reaction of isatins and ketones catalyzed by chiral bifunctional primary-amine organocatalyst on water.","Organic & biomolecular chemistry","2023","21","43","8695","8701","10.1039/d3ob01227a","","","1.54178","CuKα","","0.0386","0.0369","","","0.0915","0.0936","","","","","","1.057","","","","has coordinates","288873","2024-01-06","09:28:59","" "7159590","7.2587","0.0002","11.3133","0.0003","15.3314","0.0004","90","","90","","90","","1259.01","0.06","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl N O3 -","- C14 H14 Cl N O3 -","- C56 H56 Cl4 N4 O12 -","4","1","","Lv, Xiao-Xiong; Liu, Ning; Chen, Fei; Zhang, Hao; Du, Zhi-Hong; Wang, Pei; Yuan, Meng; Da, Chao Shan","Highly asymmetric aldol reaction of isatins and ketones catalyzed by chiral bifunctional primary-amine organocatalyst on water.","Organic & biomolecular chemistry","2023","21","43","8695","8701","10.1039/d3ob01227a","","","1.54178","CuKα","","0.0307","0.0298","","","0.0761","0.0769","","","","","","1.086","","","","has coordinates","288873","2024-01-06","09:29:11","" "7159591","13.6163","0.0017","9.1345","0.0007","17.6","0.005","90","","108.01","0.02","90","","2081.8","0.7","291.5","0.4","291.5","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 F3 N O2 S -","- C23 H20 F3 N O2 S -","- C92 H80 F12 N4 O8 S4 -","4","1","","Wu, Hao-Zeng; Teng, Zhong-Shan; Ke, Yu-Xin; Zou, Yu; Gao, Ping; Li, Yue; Zhou, Cheng-He; Zang, Zhong-Lin","Electrochemical trifluoroalkylation/annulation for the synthesis of CF3-functionalized tetrahydroquinolines and dihydroquinolinones.","Organic & biomolecular chemistry","2023","21","42","8579","8583","10.1039/d3ob00987d","","x-ray","1.54184","CuKα","","0.1919","0.1724","","","0.4238","0.4494","","","","","","1.635","","","","has coordinates","287409","2023-11-06","08:20:42","" "7159592","9.7989","0.0014","15.076","0.002","15.426","0.002","89.51","0.005","83.259","0.004","86.852","0.004","2259.7","0.5","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 F6 O S2 -","- C23 H18 F6 O S2 -","- C92 H72 F24 O4 S8 -","4","2","","Koga, Akihiro; Matsuda, Maki; Tanaka, Rin; Endo, Minami; Yamada, Yasunori; Hanamoto, Takeshi","Highly regio- and stereocontrolled preparation of α-(trifluoromethyl)-β-(phenylthio) enamines by the hydroamination of in situ-synthesized 1-(trifluoromethyl)-2-(phenylthio)ethyne.","Organic & biomolecular chemistry","2023","21","42","8528","8534","10.1039/d3ob01473h","","","0.71075","MoKα","","0.0564","0.048","","","0.1298","0.137","","","","","","1.072","","","","has coordinates","292638","2024-06-28","09:33:36","" "7159593","16.4271","0.0003","9.6289","0.0002","12.6774","0.0002","90","","96.421","0.002","90","","1992.67","0.06","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 N3 O2 -","- C22 H33 N3 O2 -","- C88 H132 N12 O8 -","4","1","","Doi, Tomoya; Umedera, Kohei; Miura, Kazuki; Morita, Taiki; Nakamura, Hiroyuki","Synthesis of the diazatricycloundecane scaffold via gold(I)-catalysed Conia-ene-type 5-exo-dig cyclization and stepwise substituent assembly for the construction of an sp3-rich compound library.","Organic & biomolecular chemistry","2023","21","43","8716","8726","10.1039/d3ob01534c","","x-ray","1.54184","CuKα","","0.0562","0.0497","","","0.1175","0.1213","","","","","","1.069","","","","has coordinates","288871","2024-01-06","09:28:12","" "7159594","10.5598","0.0005","10.2814","0.0004","15.2307","0.0006","90","","108.978","0.001","90","","1563.71","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Bhatta, Suman; Senapati, Bidyut Kumar; Patra, Sanjib Kumar; Nanda, Samik","A sequential Friedländer and anionic benzannulation strategy for the regiodefined assembly of unsymmetrical acridines.","Organic & biomolecular chemistry","2023","21","43","8727","8738","10.1039/d3ob01470c","","","0.71073","MoKα","","0.0443","0.037","","","0.1003","0.1084","","","","","","1.087","","","","has coordinates","288870","2024-01-06","09:26:46","" "7159595","8.0568","0.0009","10.5478","0.0011","23.068","0.003","90","","90","","90","","1960.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 Br N2 O5 -","- C22 H15 Br N2 O5 -","- C88 H60 Br4 N8 O20 -","4","1","","Bhatta, Suman; Senapati, Bidyut Kumar; Patra, Sanjib Kumar; Nanda, Samik","A sequential Friedländer and anionic benzannulation strategy for the regiodefined assembly of unsymmetrical acridines.","Organic & biomolecular chemistry","2023","21","43","8727","8738","10.1039/d3ob01470c","","","0.71073","MoKα","","0.0824","0.0604","","","0.1451","0.1592","","","","","","1.044","","","","has coordinates","297561","2025-02-01","07:07:34","" "7159596","7.11","0.002","7.857","0.003","11.773","0.004","82.026","0.013","79.905","0.013","85.894","0.013","640.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C32 H26 N2 O6 -","2","1","","Bhatta, Suman; Senapati, Bidyut Kumar; Patra, Sanjib Kumar; Nanda, Samik","A sequential Friedländer and anionic benzannulation strategy for the regiodefined assembly of unsymmetrical acridines.","Organic & biomolecular chemistry","2023","21","43","8727","8738","10.1039/d3ob01470c","","","0.71073","MoKα","","0.1764","0.0652","","","0.1617","0.2081","","","","","","1.026","","","","has coordinates","288870","2024-01-06","09:27:10","" "7159597","5.315","0.002","14.209","0.003","22.732","0.005","90.03","0.03","91.78","0.03","90","0.03","1715.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 Br N O3 -","- C21 H14 Br N O3 -","- C84 H56 Br4 N4 O12 -","4","1","","Bhatta, Suman; Senapati, Bidyut Kumar; Patra, Sanjib Kumar; Nanda, Samik","A sequential Friedländer and anionic benzannulation strategy for the regiodefined assembly of unsymmetrical acridines.","Organic & biomolecular chemistry","2023","21","43","8727","8738","10.1039/d3ob01470c","","","0.71073","MoKα","","0.0579","0.0386","","","0.0752","0.0816","","","","","","1.022","","","","has coordinates","298703","2025-04-03","05:34:22","" "7159598","6.384","0.004","11.473","0.005","11.661","0.006","75.635","0.012","88.166","0.016","74.104","0.013","795.2","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C42 H30 N2 O6 -","2","1","","Bhatta, Suman; Senapati, Bidyut Kumar; Patra, Sanjib Kumar; Nanda, Samik","A sequential Friedländer and anionic benzannulation strategy for the regiodefined assembly of unsymmetrical acridines.","Organic & biomolecular chemistry","2023","21","43","8727","8738","10.1039/d3ob01470c","","","0.71073","MoKα","","0.0681","0.0509","","","0.1452","0.1628","","","","","","1.076","","","","has coordinates","288870","2024-01-06","09:27:39","" "7159599","10.047","0.0008","4.9832","0.0004","11.8477","0.001","90","","104.242","0.002","90","","574.94","0.08","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 N4 O2 -","- C12 H12 N4 O2 -","- C24 H24 N8 O4 -","2","1","","Arandhara, Pallav Jyoti; Behera, Bipin Kumar; Biswas, Subhamoy; Saikia, Anil K.","Synthesis of 1,2,3-triazole-fused N-heterocycles from N-alkynyl hydroxyisoindolinones and sodium azide via the Huisgen reaction.","Organic & biomolecular chemistry","2023","21","43","8772","8781","10.1039/d3ob01498c","","","0.71073","MoKα","","0.0405","0.0357","","","0.102","0.1103","","","","","","0.715","","","","has coordinates","288872","2024-01-06","09:28:43","" "7159600","7.8488","0.0002","9.8954","0.0003","12.1031","0.0004","68.423","0.003","74.665","0.003","77.346","0.003","835.2","0.05","99.9","0.6","99.9","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N4 O -","- C21 H16 N4 O -","- C42 H32 N8 O2 -","2","1","","Das, Eshani; Feliciano, Mark Aldren M.; Yamanushkin, Pavel; Lin, Xinsong; Gold, Brian","Oxa-azabenzobenzocyclooctynes (O-ABCs): heterobiarylcyclooctynes bearing an endocyclic heteroatom.","Organic & biomolecular chemistry","2023","21","44","8857","8862","10.1039/d3ob01559a","","x-ray","1.54184","CuKα","","0.0395","0.0368","","","0.0961","0.098","","","","","","1.067","","","","has coordinates","288867","2024-01-06","09:24:49","" "7159601","9.1169","0.0001","12.313","0.0001","14.8526","0.0001","90","","94.19","0.001","90","","1662.84","0.03","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N4 O -","- C21 H16 N4 O -","- C84 H64 N16 O4 -","4","1","","Das, Eshani; Feliciano, Mark Aldren M.; Yamanushkin, Pavel; Lin, Xinsong; Gold, Brian","Oxa-azabenzobenzocyclooctynes (O-ABCs): heterobiarylcyclooctynes bearing an endocyclic heteroatom.","Organic & biomolecular chemistry","2023","21","44","8857","8862","10.1039/d3ob01559a","","x-ray","1.54184","CuKα","","0.0358","0.0345","","","0.0881","0.0891","","","","","","1.061","","","","has coordinates","288867","2024-01-06","09:25:00","" "7159602","10.93403","0.0001","21.4604","0.0002","7.91748","0.00008","90","","105.128","0.0009","90","","1793.45","0.03","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl N4 -","- C22 H17 Cl N4 -","- C88 H68 Cl4 N16 -","4","1","","Das, Eshani; Feliciano, Mark Aldren M.; Yamanushkin, Pavel; Lin, Xinsong; Gold, Brian","Oxa-azabenzobenzocyclooctynes (O-ABCs): heterobiarylcyclooctynes bearing an endocyclic heteroatom.","Organic & biomolecular chemistry","2023","21","44","8857","8862","10.1039/d3ob01559a","","x-ray","1.54184","CuKα","","0.0486","0.047","","","0.1328","0.1348","","","","","","1.084","","","","has coordinates","288867","2024-01-06","09:25:04","" "7159603","6.45921","0.00012","15.75","0.0003","21.1734","0.0004","90","","90","","90","","2154.02","0.07","113","1","113","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C104 H104 N24 O8 -","8","2","","Lee, Stephanie; Söhnel, Tilo; Sperry, Jonathan","Support studies toward the hicksoane alkaloids reveal cascade reactions of a (tryptophanamido)methylglycinate.","Organic & biomolecular chemistry","2023","21","43","8708","8715","10.1039/d3ob01596c","","x-ray","1.54184","CuKα","","0.0395","0.0365","","","0.0914","0.0926","","","","","","1.078","","","","has coordinates","295862","2024-11-09","12:08:12","" "7159604","12.4988","0.0003","7.09306","0.00015","13.9973","0.0003","90","","102.543","0.002","90","","1211.31","0.05","120","1","120","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H15 Cl N3 O1.5 -","- C12 H15 Cl N3 O1.5 -","- C48 H60 Cl4 N12 O6 -","4","1","","Lee, Stephanie; Söhnel, Tilo; Sperry, Jonathan","Support studies toward the hicksoane alkaloids reveal cascade reactions of a (tryptophanamido)methylglycinate.","Organic & biomolecular chemistry","2023","21","43","8708","8715","10.1039/d3ob01596c","","x-ray","1.54184","CuKα","","0.0285","0.0281","","","0.0734","0.0739","","","","","","1.073","","","","has coordinates","288868","2024-01-06","09:25:47","" "7159605","16.2851","0.0013","5.2346","0.0004","18.9492","0.0016","90","","112.304","0.01","90","","1494.5","0.2","120","1","120","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H20 N4 O3 -","- C15 H20 N4 O3 -","- C60 H80 N16 O12 -","4","1","","Lee, Stephanie; Söhnel, Tilo; Sperry, Jonathan","Support studies toward the hicksoane alkaloids reveal cascade reactions of a (tryptophanamido)methylglycinate.","Organic & biomolecular chemistry","2023","21","43","8708","8715","10.1039/d3ob01596c","","x-ray","1.54184","CuKα","","0.0636","0.0514","","","0.1298","0.139","","","","","","1.043","","","","has coordinates","288868","2024-01-06","09:25:50","" "7159606","10.8649","0.0007","8.9005","0.0005","11.386","0.0007","90","","91.427","0.004","90","","1100.72","0.12","298","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 S2 -","- C10 H11 N O2 S2 -","- C40 H44 N4 O8 S8 -","4","1","","Tiwari, Shubham; Chandrashekharappa, Sandeep; Gururaja, Guddeangadi N.","Nucleophilic sulfur controlled efficient ketothioamide synthesis from tribromomethyl carbinols.","Organic & biomolecular chemistry","2023","21","42","8563","8572","10.1039/d3ob01416a","","","0.71073","MoKα","","0.0616","0.0419","","","0.1012","0.1162","","","","","","1.062","","","","has coordinates","287413","2023-11-06","08:21:28","" "7159607","11.7255","0.0002","19.0167","0.0004","8.3652","0.00018","90","","105.134","0.002","90","","1800.58","0.06","295.77","0.1","295.77","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O2 -","- C22 H15 N3 O2 -","- C88 H60 N12 O8 -","4","1","","Qiu, Yi-Feng; Cao, Jian-He; Wang, Shutao; Wang, Qiang; Li, Ming; Wang, Jun-Jiao; Quan, Zheng-Jun; Wang, Xi-Cun","Synthesis of 3(2H)-furanone derivatives: p-TsOH/halotrimethylsilane promoted cycloketonization of γ-hydroxyl ynones.","Organic & biomolecular chemistry","2023","21","43","8744","8748","10.1039/d3ob01500a","","x-ray","1.54184","CuKα","","0.0529","0.0488","","","0.13","0.1331","","","","","","1.066","","","","has coordinates","288869","2024-01-06","09:26:15","" "7159608","11.4368","0.0003","6.67839","0.00014","22.2255","0.0006","90","","91.647","0.002","90","","1696.87","0.07","303.93","0.1","303.93","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C88 H64 O8 -","4","1","","Qiu, Yi-Feng; Cao, Jian-He; Wang, Shutao; Wang, Qiang; Li, Ming; Wang, Jun-Jiao; Quan, Zheng-Jun; Wang, Xi-Cun","Synthesis of 3(2H)-furanone derivatives: p-TsOH/halotrimethylsilane promoted cycloketonization of γ-hydroxyl ynones.","Organic & biomolecular chemistry","2023","21","43","8744","8748","10.1039/d3ob01500a","","x-ray","1.54184","CuKα","","0.0497","0.0422","","","0.1139","0.1196","","","","","","1.067","","","","has coordinates","288869","2024-01-06","09:26:24","" "7159609","7.415","0.004","10.967","0.005","15.805","0.007","90","","99.819","0.017","90","","1266.4","1.1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O4 -","- C30 H46 O4 -","- C60 H92 O8 -","2","1","","He, Long; Zhang, Wenting; Zhang, Xiaocheng; Wu, Xiaohui; Han, Yimeng; Yan, Jiahang; Xie, Weiqing","Gram-scale synthesis of alstoscholarinoid B via a bio-inspired strategy.","Organic & biomolecular chemistry","2023","21","47","9346","9355","10.1039/d3ob01625k","","","0.71073","","","0.0958","0.0514","","","0.1024","0.1174","","","","","","0.997","","","","has coordinates","288889","2024-01-06","09:39:53","" "7159610","9.2344","0.0005","16.0149","0.0009","17.8661","0.0009","90","","90","","90","","2642.2","0.2","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O6 -","- C30 H50 O6 -","- C120 H200 O24 -","4","1","","He, Long; Zhang, Wenting; Zhang, Xiaocheng; Wu, Xiaohui; Han, Yimeng; Yan, Jiahang; Xie, Weiqing","Gram-scale synthesis of alstoscholarinoid B via a bio-inspired strategy.","Organic & biomolecular chemistry","2023","21","47","9346","9355","10.1039/d3ob01625k","","","1.34139","GaKα","","0.0582","0.0456","","","0.1101","0.1162","","","","","","1.062","","","","has coordinates","288889","2024-01-06","09:40:02","" "7159611","12.7887","0.001","13.3649","0.001","53.155","0.004","90","","90","","90","","9085.2","1.2","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O5 -","- C30 H48 O5 -","- C360 H576 O60 -","12","3","","He, Long; Zhang, Wenting; Zhang, Xiaocheng; Wu, Xiaohui; Han, Yimeng; Yan, Jiahang; Xie, Weiqing","Gram-scale synthesis of alstoscholarinoid B via a bio-inspired strategy.","Organic & biomolecular chemistry","2023","21","47","9346","9355","10.1039/d3ob01625k","","","1.34139","GaKα","","0.0765","0.0657","","","0.1791","0.1865","","","","","","1.038","","","","has coordinates","288889","2024-01-06","09:40:11","" "7159612","5.5295","0.0013","21.27","0.005","12.923","0.003","90","","98.235","0.008","90","","1504.2","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 F6 N2 O5 S2 -","- C10 H8 F6 N2 O5 S2 -","- C40 H32 F24 N8 O20 S8 -","4","1","","Chetankumar, Eti; Bharamawadeyar, Swetha; Srinivasulu, Chinthaginjala; Sureshbabu, Vommina V.","AITF (4-acetamidophenyl triflimide) mediated synthesis of amides, peptides and esters.","Organic & biomolecular chemistry","2023","21","44","8875","8882","10.1039/d3ob01351k","","","0.71073","MoKα","","0.1072","0.0727","","","0.1881","0.205","","","","","","1.047","","","","has coordinates","288866","2024-01-06","09:24:11","" "7159613","11.206","0.003","9.424","0.003","18.834","0.006","90","","106.89","0.009","90","","1903.2","1","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 F N O2 -","- C11 H8 F N O2 -","- C88 H64 F8 N8 O16 -","8","1","","Chetankumar, Eti; Bharamawadeyar, Swetha; Srinivasulu, Chinthaginjala; Sureshbabu, Vommina V.","AITF (4-acetamidophenyl triflimide) mediated synthesis of amides, peptides and esters.","Organic & biomolecular chemistry","2023","21","44","8875","8882","10.1039/d3ob01351k","","","0.71073","MoKα","","0.0644","0.0407","","","0.0864","0.0931","","","","","","0.935","","","","has coordinates","288866","2024-01-06","09:24:19","" "7159614","8.0818","0.0007","16.4868","0.0015","32.475","0.003","90","","90","","90","","4327.1","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H30 N2 O2 -","- C26 H30 N2 O2 -","- C208 H240 N16 O16 -","8","1","","Bhattacharjee, Prantika; Sarma, Bipul; Bora, Utpal","Molecular-iodine catalyzed selective construction of cyclopenta[b]indoles from indoles and acetone: a green gateway to indole-fused cycles.","Organic & biomolecular chemistry","2023","21","46","9275","9285","10.1039/d3ob01561k","","","0.71073","MoKα","","0.0523","0.0429","","","0.0897","0.0941","","","","","","1.063","","","","has coordinates","288875","2024-01-06","09:30:06","" "7159615","8.7371","0.0004","13.1143","0.0005","8.7598","0.0004","90","","107.946","0.003","90","","954.87","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 F2 N O4 -","- C23 H27 F2 N O4 -","- C46 H54 F4 N2 O8 -","2","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0802","0.0565","","","0.117","0.1279","","","","","","1.027","","","","has coordinates,has disorder","288901","2024-01-06","09:46:31","" "7159616","40.487","0.003","7.3959","0.0004","7.5817","0.0005","90","","95.636","0.007","90","","2259.3","0.3","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H33 F2 N O5 -","- C25 H33 F2 N O5 -","- C100 H132 F8 N4 O20 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0956","0.0729","","","0.1559","0.1674","","","","","","1.073","","","","has coordinates,has disorder","288901","2024-01-06","09:46:44","" "7159617","7.7726","0.0004","11.5067","0.0006","22.6755","0.001","90","","90","","90","","2028.03","0.17","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 F2 N2 O4 -","- C23 H26 F2 N2 O4 -","- C92 H104 F8 N8 O16 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0851","0.0673","","","0.1487","0.1573","","","","","","1.074","","","","has coordinates,has disorder","288901","2024-01-06","09:46:48","" "7159618","7.7954","0.0002","12.3806","0.0002","23.4227","0.0005","90","","90","","90","","2260.57","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 F2 N O5 -","- C25 H33 F2 N O5 -","- C100 H132 F8 N4 O20 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0346","0.0333","","","0.0884","0.0894","","","","","","1.061","","","","has coordinates","288901","2024-01-06","09:47:02","" "7159619","9.3792","0.0002","12.5351","0.0002","20.43","0.0003","90","","90","","90","","2401.94","0.07","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 F2 N O5 -","- C27 H39 F2 N O5 -","- C108 H156 F8 N4 O20 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0436","0.0391","","","0.0976","0.1007","","","","","","1.064","","","","has coordinates,has disorder","288901","2024-01-06","09:47:11","" "7159620","9.1217","0.0003","11.2737","0.0003","19.5547","0.0005","90","","90","","90","","2010.91","0.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 F3 N O4 -","- C23 H24 F3 N O4 -","- C92 H96 F12 N4 O16 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.04","0.0321","","","0.0712","0.0742","","","","","","1.047","","","","has coordinates","288901","2024-01-06","09:47:20","" "7159621","9.5587","0.0009","10.1828","0.0008","24.801","0.002","90","","90","","90","","2414","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H39 F2 N O6 -","- C26 H39 F2 N O6 -","- C104 H156 F8 N4 O24 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.1132","0.0982","","","0.2223","0.2272","","","","","","1.142","","","","has coordinates,has disorder","288901","2024-01-06","09:47:33","" "7159622","12.2544","0.0003","24.9923","0.0007","7.2291","0.0002","90","","90","","90","","2214.02","0.1","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H29 F2 N O4 -","- C23 H29 F2 N O4 -","- C92 H116 F8 N4 O16 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.039","0.0373","","","0.0953","0.0967","","","","","","1.028","","","","has coordinates,has disorder","288901","2024-01-06","09:47:42","" "7159623","9.4825","0.0003","12.4436","0.0004","19.8848","0.0005","90","","90","","90","","2346.34","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 F2 N O5 -","- C26 H37 F2 N O5 -","- C104 H148 F8 N4 O20 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0484","0.0382","","","0.0827","0.0888","","","","","","1.02","","","","has coordinates","288901","2024-01-06","09:47:53","" "7159624","7.888","0.005","12.342","0.008","23.321","0.015","90","","90","","90","","2270","3","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 F2 N O5 -","- C25 H35 F2 N O5 -","- C100 H140 F8 N4 O20 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0511","0.0412","","","0.0964","0.1019","","","","","","1.017","","","","has coordinates","288901","2024-01-06","09:47:57","" "7159625","32.264","0.003","6.0091","0.0005","19.0987","0.0017","90","","110.389","0.001","90","","3470.8","0.5","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 N2 O3 S -","- C19 H18 N2 O3 S -","- C152 H144 N16 O24 S8 -","8","1","","Wang, Zhaoxue; Tian, Ge; Shi, Yuying; Liu, Wanxing; Xu, Xiangdong; Li, Xiaojing; Wu, Lingang; Xie, Lei","Lewis base-catalyzed cascade [4 + 2]-annulation reaction of N-alkoxy acrylamides and acyl isothiocyanates: facile access to 2-imino-1,3-thiazinone derivatives.","Organic & biomolecular chemistry","2023","21","46","9200","9209","10.1039/d3ob01440a","","","0.71073","MoKα","","0.0407","0.0337","","","0.0831","0.0876","","","","","","1.032","","","","has coordinates","288874","2024-01-06","09:29:55","" "7159626","14.7489","0.0008","15.2963","0.0009","16.4862","0.0009","85.29","0.002","82.032","0.002","87.045","0.002","3668","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H82 Cl8 N6 O6 -","- C76 H82 Cl8 N6 O6 -","- C152 H164 Cl16 N12 O12 -","2","1","","Puigcerver, Julio; Alajarin, Mateo; Martinez-Cuezva, Alberto; Berna, Jose","Modulating the shuttling motion of [2]rotaxanes built of p-xylylenediamine units through permethylation at the benzylic positions of the ring.","Organic & biomolecular chemistry","2023","21","45","9070","9075","10.1039/d3ob01611k","","","1.54178","CuKα","","0.0544","0.0471","","","0.1156","0.1211","","","","","","1.046","","","","has coordinates,has disorder","288899","2024-01-06","09:45:36","" "7159627","6.14568","0.0001","12.1476","0.0002","16.5252","0.0003","90","","90.6799","0.0016","90","","1233.61","0.04","100","2","99.97","0.18","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","2","","Fresia, Marvin; Dierks, Alexandra; Jones, Peter G.; Lindel, Thomas","Synthesis of the indeno[1,2-b]indole core of janthitrem B.","Organic & biomolecular chemistry","2023","21","45","9065","9069","10.1039/d3ob01566a","","x-ray","0.71073","MoKα","","0.0422","0.0381","","","0.1032","0.1062","","","","","","1.082","","","","has coordinates,has disorder","288900","2024-01-06","09:45:54","" "7159628","12.3458","0.00014","27.6089","0.0003","18.0509","0.0002","90","","105.937","0.0012","90","","5916.23","0.12","100","2","100.03","0.12","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C23 H27 N O2 S -","- C23 H27 N O2 S -","- C276 H324 N12 O24 S12 -","12","3","","Fresia, Marvin; Dierks, Alexandra; Jones, Peter G.; Lindel, Thomas","Synthesis of the indeno[1,2-b]indole core of janthitrem B.","Organic & biomolecular chemistry","2023","21","45","9065","9069","10.1039/d3ob01566a","","x-ray","1.54184","CuKα","","0.0305","0.0297","","","0.0784","0.0789","","","","","","1.04","","","","has coordinates","288900","2024-01-06","09:45:57","" "7159629","11.028","0.005","24.273","0.011","8.467","0.004","90","","123.455","0.013","90","","1891","1.5","297","2","297.26","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H20 Cl N O4 -","- C20 H20 Cl N O4 -","- C80 H80 Cl4 N4 O16 -","4","1","","Roy, Pritam; Anjum, S. Rehana; Sanwal, Shyam D.; Ramachary, Dhevalapally B.","Direct organocatalytic transfer hydrogenation and C-H oxidation: high-yielding synthesis of 3-hydroxy-3-alkyloxindoles.","Organic & biomolecular chemistry","2023","21","41","8335","8343","10.1039/d3ob01264f","","x-ray","0.71073","MoKα","","0.2097","0.0778","","","0.1194","0.1492","","","","","","1.004","","","","has coordinates","287279","2023-11-05","12:47:20","" "7159630","9.8186","0.0003","10.1013","0.0003","12.0509","0.0003","104.546","0.001","100.921","0.001","104.439","0.001","1079.09","0.05","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 N2 O P S -","- C25 H21 N2 O P S -","- C50 H42 N4 O2 P2 S2 -","2","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.0317","0.0298","","","0.0771","0.0786","","","","","","1.021","","","","has coordinates","287280","2023-11-05","12:49:03","" "7159631","9.243","0.0011","10.507","0.0012","19.92","0.002","90","","102.649","0.002","90","","1887.6","0.4","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl N2 O P Pd S -","- C19 H16 Cl N2 O P Pd S -","- C76 H64 Cl4 N8 O4 P4 Pd4 S4 -","4","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.0384","0.0294","","","0.0608","0.0649","","","","","","1.051","","","","has coordinates","287280","2023-11-05","12:49:07","" "7159632","9.9279","0.0007","12.9563","0.0009","13.4185","0.001","103.396","0.004","105.449","0.004","112.525","0.004","1424.7","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C27 H20 Cl4 N3 O P Pd S -","- C27 H20 Cl4 N3 O P Pd S -","- C54 H40 Cl8 N6 O2 P2 Pd2 S2 -","2","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.0807","0.0634","","","0.1827","0.1976","","","","","","1.071","","","","has coordinates","287280","2023-11-05","12:49:16","" "7159633","9.5575","0.0004","11.4798","0.0005","13.1669","0.0005","88.162","0.001","70.75","0.001","88.35","0.001","1362.92","0.1","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C26 H21 Cl4 N2 O P Pd S -","- C26 H21 Cl4 N2 O P Pd S -","- C52 H42 Cl8 N4 O2 P2 Pd2 S2 -","2","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.023","0.0203","","","0.0485","0.0499","","","","","","1.02","","","","has coordinates,has disorder","287280","2023-11-05","12:49:19","" "7159634","9.4217","0.0003","15.3527","0.0005","19.3509","0.0005","90","","95.303","0.001","90","","2787.1","0.15","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl4 F N2 O P Pd S -","- C26 H20 Cl4 F N2 O P Pd S -","- C104 H80 Cl16 F4 N8 O4 P4 Pd4 S4 -","4","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.0274","0.0246","","","0.0575","0.0588","","","","","","1.066","","","","has coordinates","287280","2023-11-05","12:49:19","" "7159635","11.9627","0.0003","19.9021","0.0006","15.1273","0.0004","90","","136.653","0.001","90","","2472.15","0.13","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N2 O2 P S -","- C26 H23 N2 O2 P S -","- C104 H92 N8 O8 P4 S4 -","4","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.0432","0.0368","","","0.1001","0.1041","","","","","","1.043","","","","has coordinates","287280","2023-11-05","12:49:19","" "7159636","14.0537","0.0011","11.5635","0.001","19.5357","0.0017","90","","110.681","0.004","90","","2970.2","0.4","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cl N2 O3 P Pd S -","- C30 H32 Cl N2 O3 P Pd S -","- C120 H128 Cl4 N8 O12 P4 Pd4 S4 -","4","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.1077","0.1059","","","0.2604","0.2612","","","","","","1.371","","","","has coordinates,has disorder","287280","2023-11-05","12:49:19","" "7159637","7.6935","0.0002","9.733","0.0002","33.1956","0.0006","90","","90","","90","","2485.71","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H24 O4 -","- C31 H24 O4 -","- C124 H96 O16 -","4","1","","Liu, Li-Xia; Huang, Wen-Jun; Yu, Chang-Bin; Zhou, Yong-Gui","Palladium-catalyzed stereoselective construction of chiral allenes bearing nonadjacent axial and two central chirality.","Organic & biomolecular chemistry","2023","21","42","8516","8520","10.1039/d3ob01315d","","","1.54178","CuKα","","0.0729","0.0613","","","0.1705","0.1899","","","","","","1.027","","","","has coordinates","287281","2023-11-05","12:51:13","" "7159638","12.9083","0.0011","8.1492","0.0007","20.8706","0.0018","90","","90","","90","","2195.4","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N O4 S -","- C11 H11 N O4 S -","- C88 H88 N8 O32 S8 -","8","1","","Sun, Li; Li, Jiyu; Wu, Yafei; Li, Ying; Chen, Junqi; Xia, Xiaoye; Yuan, Chunhao; Guo, Hongchao; Mao, Biming","Palladium-catalyzed [4 + 2] cycloaddition of 2-methylidenetrimethylene carbonate or methylene cyclic carbamate with sulfamate-derived cyclic imines.","Organic & biomolecular chemistry","2023","21","40","8107","8111","10.1039/d3ob01361h","","","0.71073","MoKα","","0.088","0.0592","","","0.1499","0.1648","","","","","","1.048","","","","has coordinates","287282","2023-11-05","12:52:45","" "7159639","10.3512","0.0009","11.2333","0.001","22.0866","0.0018","90","","90.88","0.002","90","","2567.9","0.4","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 Cl N3 O5 -","- C29 H26 Cl N3 O5 -","- C116 H104 Cl4 N12 O20 -","4","1","","Xue, Feixue; Yang, Chang-Jiang; Tang, Tong; He, Zhengjie","Sequential annulation and isomerisation reaction of 3-acylmethylidene oxindoles with Huisgen zwitterions and synthesis of 5-(3-oxindolyl)oxazoles.","Organic & biomolecular chemistry","2023","21","40","8176","8181","10.1039/d3ob01199b","","","0.71073","MoKα","","0.0349","0.0299","","","0.0789","0.0811","","","","","","1.067","","","","has coordinates","287283","2023-11-05","12:53:08","" "7159640","11.4154","0.0014","8.0858","0.001","11.9564","0.0014","90","","99.308","0.002","90","","1089.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H29 N3 O4 -","- C24 H29 N3 O4 -","- C48 H58 N6 O8 -","2","1","","Zhan, Guanqun; Zhang, Fuxin; Yang, Kailing; Yang, Tao; Zhou, Ruixi; Chen, Wenwen; Zhang, Jingwei; Zhang, Xinxin; Guo, Zengjun","Alscholarines A and B, two rearranged monoterpene indole alkaloids from Alstonia scholaris.","Organic & biomolecular chemistry","2023","21","40","8190","8196","10.1039/d3ob01424j","","x-ray","1.34138","Synchrotron","GaKα","0.0401","0.04","","","0.106","0.1061","","","","","","1.05","","","","has coordinates","287284","2023-11-05","12:53:34","" "7159641","10.3124","0.0004","6.3748","0.0003","12.1798","0.0006","90","","100.745","0.005","90","","786.65","0.06","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O4 S -","- C15 H19 N O4 S -","- C30 H38 N2 O8 S2 -","2","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0419","0.0334","","","0.0731","0.0777","","","","","","1.037","","","","has coordinates","288879","2024-01-06","09:32:15","" "7159642","6.2757","0.0004","10.0567","0.0008","18.9671","0.0016","90","","90","","90","","1197.07","0.16","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H19 N O2 S -","- C9 H19 N O2 S -","- C36 H76 N4 O8 S4 -","4","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.1131","0.0485","","","0.1051","0.1298","","","","","","1.002","","","","has coordinates,has disorder","288879","2024-01-06","09:32:27","" "7159643","10.0224","0.0006","6.6552","0.0003","14.9401","0.0009","90","","107.562","0.006","90","","950.07","0.1","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H13 N O2 S -","- C8 H13 N O2 S -","- C32 H52 N4 O8 S4 -","4","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.051","0.0416","","","0.1072","0.1154","","","","","","1.043","","","","has coordinates","288879","2024-01-06","09:32:32","" "7159644","9.9519","0.0005","5.9259","0.0003","12.0663","0.0006","90","","90.859","0.004","90","","711.52","0.06","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H21 N O2 S -","- C14 H21 N O2 S -","- C28 H42 N2 O4 S2 -","2","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0418","0.0364","","","0.0889","0.0933","","","","","","1.052","","","","has coordinates","288879","2024-01-06","09:32:46","" "7159645","19.872","0.003","6.6196","0.0007","16.26","0.002","90","","108.918","0.016","90","","2023.4","0.5","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H15 N O2 S -","- C9 H15 N O2 S -","- C72 H120 N8 O16 S8 -","8","2","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.1241","0.0752","","","0.1625","0.2078","","","","","","1.026","","","","has coordinates","288879","2024-01-06","09:32:58","" "7159646","10.004","0.0003","6.04477","0.00015","14.4466","0.0004","90","","105.076","0.003","90","","843.54","0.04","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H23 N O5 S -","- C14 H23 N O5 S -","- C28 H46 N2 O10 S2 -","2","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0421","0.035","","","0.0908","0.0963","","","","","","1.02","","","","has coordinates,has disorder","288879","2024-01-06","09:33:08","" "7159647","6.5356","0.0002","9.826","0.0003","20.5497","0.0006","90","","90","","90","","1319.68","0.07","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N O4 S -","- C10 H17 N O4 S -","- C40 H68 N4 O16 S4 -","4","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0663","0.0482","","","0.1226","0.1328","","","","","","1.019","","","","has coordinates","288879","2024-01-06","09:33:12","" "7159648","5.9251","0.0004","11.4025","0.0008","18.0255","0.0014","90","","90","","90","","1217.82","0.15","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 N O2 S -","- C10 H21 N O2 S -","- C40 H84 N4 O8 S4 -","4","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.1338","0.054","","","0.1202","0.1385","","","","","","0.832","","","","has coordinates","288879","2024-01-06","09:33:20","" "7159649","5.6555","0.0003","8.2434","0.0003","14.8956","0.0007","90","","100.631","0.005","90","","682.52","0.06","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H17 N O2 S -","- C14 H17 N O2 S -","- C28 H34 N2 O4 S2 -","2","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0565","0.039","","","0.0798","0.0888","","","","","","1.056","","","","has coordinates","288879","2024-01-06","09:33:29","" "7159650","14.7795","0.0002","8.01466","0.00011","15.01","0.0003","90","","107.478","0.0018","90","","1695.89","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H17 N O2 S -","- C10 H17 N O2 S -","- C60 H102 N6 O12 S6 -","6","3","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0273","0.025","","","0.0628","0.0641","","","","","","1.06","","","","has coordinates","288879","2024-01-06","09:33:33","" "7159651","10.988","0.002","11.648","0.002","12.588","0.003","114.144","0.006","108.931","0.007","92.315","0.007","1362.4","0.5","250","2","250","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 N O5 S -","- C33 H23 N O5 S -","- C66 H46 N2 O10 S2 -","2","1","","Dahiya, Pooja; Yadav, Anoop; Peddinti, Rama Krishna","Spirocyclization and Michael addition of 3-benzylidene succinimides: route to spirocyclopentapyrrolidine-tetraones and benzylidene N-arylpyrrolidine-diones.","Organic & biomolecular chemistry","2023","21","46","9192","9199","10.1039/d3ob01629c","","","0.71073","MoKα","","0.0669","0.0597","","","0.1687","0.177","","","","","","1.074","","","","has coordinates","288877","2024-01-06","09:31:13","" "7159652","12.8","0.14","12.93","0.15","18.3","0.2","101.19","0.14","94.84","0.15","107.4","0.2","2802","5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Br N3 O4 -","- C32 H24 Br N3 O4 -","- C64 H48 Br2 N6 O8 -","2","1","","Dahiya, Pooja; Yadav, Anoop; Peddinti, Rama Krishna","Spirocyclization and Michael addition of 3-benzylidene succinimides: route to spirocyclopentapyrrolidine-tetraones and benzylidene N-arylpyrrolidine-diones.","Organic & biomolecular chemistry","2023","21","46","9192","9199","10.1039/d3ob01629c","","","0.71073","MoKα","","0.2491","0.0795","","","0.1751","0.2825","","","","","","1.0067","","","","has coordinates","296876","2024-12-16","17:34:44","" "7159653","46.814","0.006","5.8604","0.0008","12.4797","0.0016","90","","105.085","0.007","90","","3305.8","0.8","273.15","","273.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H21 N O8 -","- C17 H20 N O8 -","- C136 H160 N8 O64 -","8","2","","Shankar, Bhawani; Singh, Tejveer; Kumar, Banty; Arora, Aditi; Kumar, Sumit; Singh, Brajendra K.","Solvent-free synthesis and in-silico molecular docking study of (E)-3-(β-C-glycosylmethylidene)-N-aryl/alkyl succinimides.","Organic & biomolecular chemistry","2023","21","47","9398","9409","10.1039/d3ob01252b","","","0.71073","MoKα","","0.0545","0.0407","","","0.0897","0.099","","","","","","1.057","","","","has coordinates","298703","2025-04-03","05:34:22","" "7159654","8.6495","0.0004","10.1461","0.0005","10.4409","0.0005","72.9361","0.0019","86.3302","0.0018","65.6886","0.0017","796.57","0.07","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H23 N2 O1.5 -","- C19 H23 N2 O1.5 -","- C38 H46 N4 O3 -","2","2","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1H)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","1.54178","CuKα","","0.0401","0.0393","","","0.1019","0.1031","","","","","","1.021","","","","has coordinates","288888","2024-01-06","09:38:58","" "7159655","4.8265","0.0007","11.8034","0.0018","16.146","0.002","74.98","0.012","85.102","0.012","79.447","0.012","872.7","0.2","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H20 N4 O6 -","- C16 H20 N4 O6 -","- C32 H40 N8 O12 -","2","2","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1H)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","1.54178","CuKα","","0.1726","0.1206","","","0.2821","0.3346","","","","","","1.376","","","","has coordinates","294326","2024-09-02","09:37:27","" "7159656","8.6926","0.0004","10.2171","0.0005","10.4436","0.0005","73.2229","0.0017","86.5859","0.0018","65.2493","0.0015","804.46","0.07","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H23 N2 O1.5 -","- C19 H23 N2 O1.5 -","- C38 H46 N4 O3 -","2","2","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1H)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","0.71073","MoKα","","0.0649","0.0466","","","0.092","0.1051","","","","","","1.077","","","","has coordinates","295862","2024-11-09","12:08:12","" "7159657","7.2485","0.0002","10.0179","0.0003","22.3054","0.0007","90","","90","","90","","1619.7","0.08","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl N2 O -","- C19 H21 Cl N2 O -","- C76 H84 Cl4 N8 O4 -","4","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1H)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","0.71073","MoKα","","0.0519","0.042","","","0.089","0.0975","","","","","","1.122","","","","has coordinates","288888","2024-01-06","09:39:33","" "7159658","21.16","0.008","5.022","0.002","21.185","0.008","90","","119.93","0.02","90","","1951","1.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 Cl N2 O3 -","- C12 H13 Cl N2 O3 -","- C72 H78 Cl6 N12 O18 -","6","3","","Arsenov, Mikhail A.; Stoletova, Nadezhda V.; Smol'yakov, Alexander F.; Savel'yeva, Tat'yana F.; Maleev, Victor I.; Loginov, Dmitry A.; Larionov, Vladimir A.","A synthetic route to artificial chiral α-amino acids featuring a 3,4-dihydroisoquinolone core through a Rh(III)-catalyzed functionalization of allyl groups in chiral Ni(II) complexes.","Organic & biomolecular chemistry","2023","21","46","9143","9149","10.1039/d3ob01513k","","","0.71073","MoKα","","0.2453","0.148","","","0.2933","0.3466","","","","","","1.039","","","","has coordinates","288878","2024-01-06","09:31:42","" "7159659","11.837","0.0018","22.263","0.004","14.667","0.002","90","","91.31","0.004","90","","3864.1","1.1","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H33 Br N4 Ni O4 -","- C37 H33 Br N4 Ni O4 -","- C148 H132 Br4 N16 Ni4 O16 -","4","2","","Arsenov, Mikhail A.; Stoletova, Nadezhda V.; Smol'yakov, Alexander F.; Savel'yeva, Tat'yana F.; Maleev, Victor I.; Loginov, Dmitry A.; Larionov, Vladimir A.","A synthetic route to artificial chiral α-amino acids featuring a 3,4-dihydroisoquinolone core through a Rh(III)-catalyzed functionalization of allyl groups in chiral Ni(II) complexes.","Organic & biomolecular chemistry","2023","21","46","9143","9149","10.1039/d3ob01513k","","","0.71073","MoKα","","0.2411","0.0703","","","0.1422","0.1916","","","","","","0.854","","","","has coordinates","288878","2024-01-06","09:31:51","" "7159660","11.28","0.003","9.997","0.003","11.637","0.004","90","","91.08","0.02","90","","1312","0.7","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Martelli, Lorena S. R.; da Silva, Otavio A. M.; Zukerman-Schpector, Julio; Corrêa, Arlene G","One-pot synthesis of γ-lactams from ketoaziridines.","Organic & biomolecular chemistry","2023","21","46","9128","9132","10.1039/d3ob01568h","","","0.71073","MoKα","","0.1339","0.0495","","","0.0838","0.1104","","","","","","0.703","","","","has coordinates","288882","2024-01-06","09:34:54","" "7159661","9.065","0.0002","25.6508","0.0007","12.7514","0.0003","90","","97.158","0.002","90","","2941.9","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H27 I N2 O2 -","- C33 H27 I N2 O2 -","- C132 H108 I4 N8 O8 -","4","2","","Uchikura, Tatsuhiro; Takahashi, Kazuki; Oishi, Tatsushi; Akiyama, Takahiko","Visible-light-driven enantioselective intermolecular [2 + 2] photocyclization utilizing bathochromic excitation mediated by a chiral phosphoric acid.","Organic & biomolecular chemistry","2023","21","46","9138","9142","10.1039/d3ob01425h","","x-ray","1.54184","CuKα","","0.1336","0.1288","","","0.3507","0.3535","","","","","","1.053","","","","has coordinates","288876","2024-01-06","09:30:22","" "7159662","11.4857","0.0015","9.7788","0.0014","9.6329","0.0011","90","","101.874","0.012","90","","1058.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Br F2 O3 -","- C11 H7 Br F2 O3 -","- C44 H28 Br4 F8 O12 -","4","1","","Wu, Long-Hui; Liu, Xia; Liu, Zhao-Wen; Chen, Zhi-Xi; Fu, Xin-Lei; Yang, Kai","Metal-free synthesis of difluoro/trifluoromethyl carbinol-containing chromones via tandem cyclization of o-hydroxyaryl enaminones.","Organic & biomolecular chemistry","2023","21","46","9236","9241","10.1039/d3ob01582c","","x-ray","1.54184","CuKα","","0.0867","0.0679","","","0.1727","0.2021","","","","","","1.017","","","","has coordinates","288881","2024-01-06","09:34:35","" "7159670","13.0387","0.0013","18.89","0.002","14.4657","0.0015","90","","106.702","0.003","90","","3412.6","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 N3 O5 -","- C36 H29 N3 O5 -","- C144 H116 N12 O20 -","4","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles via a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.1448","0.0673","","","0.1659","0.2039","","","","","","1.021","","","","has coordinates","288887","2024-01-06","09:37:14","" "7159671","11.4127","0.0017","11.889","0.002","14.951","0.002","67.152","0.005","72.453","0.004","70.704","0.005","1729.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cl N3 O5 -","- C36 H28 Cl N3 O5 -","- C72 H56 Cl2 N6 O10 -","2","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles via a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.1614","0.0656","","","0.1348","0.1679","","","","","","1.009","","","","has coordinates","288887","2024-01-06","09:37:24","" "7159672","19.3769","0.001","9.5886","0.0005","18.282","0.001","90","","113.898","0.0016","90","","3105.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 N3 O5 -","- C36 H31 N3 O5 -","- C144 H124 N12 O20 -","4","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles via a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.1141","0.0551","","","0.1126","0.1347","","","","","","1.037","","","","has coordinates,has disorder","288887","2024-01-06","09:37:29","" "7159673","13.5696","0.0013","9.6679","0.001","24.307","0.003","90","","92.204","0.003","90","","3186.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 N3 O5 -","- C38 H33 N3 O5 -","- C152 H132 N12 O20 -","4","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles via a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.1346","0.0683","","","0.1578","0.1872","","","","","","1.025","","","","has coordinates,has disorder","288887","2024-01-06","09:37:42","" "7159674","8.803","0.002","11.433","0.003","18.19","0.005","106.892","0.008","93.952","0.008","94.154","0.008","1739.4","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H29 N3 O5 -","- C35 H29 N3 O5 -","- C70 H58 N6 O10 -","2","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles via a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.1504","0.0732","","","0.1966","0.238","","","","","","1.018","","","","has coordinates","288887","2024-01-06","09:37:54","" "7159675","9.0882","0.0005","15.9008","0.0008","10.1768","0.0005","90","","96.1407","0.0017","90","","1462.21","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H29 N3 O5 -","- C36 H29 N3 O5 -","- C72 H58 N6 O10 -","2","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles via a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.0651","0.04","","","0.0789","0.0879","","","","","","1.025","","","","has coordinates","288887","2024-01-06","09:38:08","" "7159676","23.664","0.003","10.3466","0.0011","22.561","0.003","90","","116.638","0.003","90","","4937.6","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H21 F N2 O6 -","- C29 H21 F N2 O6 -","- C232 H168 F8 N16 O48 -","8","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles via a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.2219","0.0687","","","0.0984","0.134","","","","","","1.006","","","","has coordinates","288887","2024-01-06","09:38:23","" "7159677","8.46","0.007","11.802","0.009","17.491","0.014","79.66","0.01","83.815","0.011","89.445","0.011","1708","2","300","","300","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H16 O4 -","- C21 H16 O4 -","- C84 H64 O16 -","4","2","","He, Xinwei; Wang, Demao; Liu, Yanan; Wu, Mengdi; Kong, Yangzilin; Tang, Qiang; Wang, Yiping; Fan, Chenli; Shang, Yongjia","Synthesis of arene-functionalized fused heterocyclic scaffolds via a regioselective cascade 1,4-conjugate addition/5-exo-dig annulation strategy.","Organic & biomolecular chemistry","2023","21","46","9159","9172","10.1039/d3ob01572f","","x-ray","0.71073","MoKα","","0.1211","0.0545","","","0.118","0.1415","","","","","","0.995","","","","has coordinates","288880","2024-01-06","09:33:56","" "7159678","6.9547","0.0006","19.975","0.002","12.2707","0.0014","90","","90.477","0.004","90","","1704.6","0.3","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","","He, Xinwei; Wang, Demao; Liu, Yanan; Wu, Mengdi; Kong, Yangzilin; Tang, Qiang; Wang, Yiping; Fan, Chenli; Shang, Yongjia","Synthesis of arene-functionalized fused heterocyclic scaffolds via a regioselective cascade 1,4-conjugate addition/5-exo-dig annulation strategy.","Organic & biomolecular chemistry","2023","21","46","9159","9172","10.1039/d3ob01572f","","x-ray","0.71073","MoKα","","0.1343","0.0549","","","0.1119","0.143","","","","","","1.022","","","","has coordinates","288880","2024-01-06","09:34:07","" "7159679","23.118","0.012","23.118","0.012","14.243","0.009","90","","90","","90","","7612","7","300","","300","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C336 H272 N16 O48 -","16","1","","He, Xinwei; Wang, Demao; Liu, Yanan; Wu, Mengdi; Kong, Yangzilin; Tang, Qiang; Wang, Yiping; Fan, Chenli; Shang, Yongjia","Synthesis of arene-functionalized fused heterocyclic scaffolds via a regioselective cascade 1,4-conjugate addition/5-exo-dig annulation strategy.","Organic & biomolecular chemistry","2023","21","46","9159","9172","10.1039/d3ob01572f","","x-ray","0.71073","MoKα","","0.2022","0.0862","","","0.1958","0.2671","","","","","","1.014","","","","has coordinates,has disorder","288880","2024-01-06","09:34:17","" "7159680","6.9302","0.0009","10.5748","0.0014","19.067","0.003","90","","90","","90","","1397.3","0.3","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Zhou, Changsheng; Huang, Ming; Yao, Yufeng; Chen, Chunyu; Yi, Xin; Yang, Ke-Fang; Lai, Guo-Qiao; Xuan, Wenjing; Zhang, Pinglu","Transition-metal-free and additive-free intermolecular hydroarylation of alkenes with indoles in hexafluoroisopropanol.","Organic & biomolecular chemistry","2023","21","48","9534","9541","10.1039/d3ob01570j","","","0.71073","MoKα","","0.0649","0.0434","","","0.0987","0.1102","","","","","","1.024","","","","has coordinates","288891","2024-01-06","09:41:20","" "7159681","7.426","0.0014","10.475","0.002","18.684","0.004","90","","90","","90","","1453.4","0.5","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 F2 N O -","- C17 H15 F2 N O -","- C68 H60 F8 N4 O4 -","4","1","","Zhou, Changsheng; Huang, Ming; Yao, Yufeng; Chen, Chunyu; Yi, Xin; Yang, Ke-Fang; Lai, Guo-Qiao; Xuan, Wenjing; Zhang, Pinglu","Transition-metal-free and additive-free intermolecular hydroarylation of alkenes with indoles in hexafluoroisopropanol.","Organic & biomolecular chemistry","2023","21","48","9534","9541","10.1039/d3ob01570j","","","0.71073","MoKα","","0.147","0.0542","","","0.1126","0.1554","","","","","","1.0461","","","","has coordinates","288891","2024-01-06","09:41:34","" "7159682","7.4846","0.0002","6.6085","0.0002","27.89","0.0008","90","","96.294","0.002","90","","1371.18","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","","Mukhopadhyay, Subhamoy; Khaitan, Bhavya; Gandhi, Shikha","Synthesis of tricyclic oxazinoindolones via Pd-catalyzed intramolecular addition of carboxylic acids to alkynes.","Organic & biomolecular chemistry","2023","21","47","9326","9329","10.1039/d3ob01672b","","","1.54184","CuKα","","0.0698","0.0648","","","0.1493","0.1518","","","","","","1.1492","","","","has coordinates","288885","2024-01-06","09:36:02","" "7159683","12.2396","0.0003","7.38829","0.00013","27.218","0.0005","90","","92.5426","0.0019","90","","2458.89","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 O5 S -","- C29 H24 O5 S -","- C116 H96 O20 S4 -","4","1","","Huang, Lei; Wang, Yan; Liu, Xin; Tian, Shi-Kai","Convenient synthesis of thiolated 2,7-disubstituted tropones via double C-N bond cleavage of tropinone derivatives.","Organic & biomolecular chemistry","2023","21","47","9321","9325","10.1039/d3ob01835k","","x-ray","1.54184","CuKα","","0.0554","0.0436","","","0.1144","0.125","","","","","","1.043","","","","has coordinates","288886","2024-01-06","09:36:19","" "7159684","15.2016","0.0002","16.526","0.0002","11.22516","0.00019","90","","103.23","0.0016","90","","2745.15","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 F3 N O4 S -","- C25 H26 F3 N O4 S -","- C100 H104 F12 N4 O16 S4 -","4","1","","Huang, Lei; Wang, Yan; Liu, Xin; Tian, Shi-Kai","Convenient synthesis of thiolated 2,7-disubstituted tropones via double C-N bond cleavage of tropinone derivatives.","Organic & biomolecular chemistry","2023","21","47","9321","9325","10.1039/d3ob01835k","","x-ray","1.54184","CuKα","","0.0568","0.0503","","","0.1484","0.1555","","","","","","1.081","","","","has coordinates","288886","2024-01-06","09:36:25","" "7159685","17.9648","0.001","14.7598","0.0007","13.8606","0.0008","90","","100.983","0.004","90","","3607.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H4 Br N2 S2 -","- C69 H4 Br N S2 -","- C276 H16 Br4 N4 S8 -","4","1","","Ma, Wen-Bin; Wang, Long-Ge; Chen, Shou-Rui; Zhang, Xiang; Xuan, Jun; Li, Fei","Synthesis of spiro[indolenine]-methanofullerenes via Deoxofluor promoted deoxygenative cyclopropanation of 1,2-(3-indole)-fullerenols.","Organic & biomolecular chemistry","2023","21","47","9459","9462","10.1039/d3ob01697h","","","1.54186","CuKα","","0.1087","0.0752","","","0.197","0.2269","","","","","","1.044","","","","has coordinates","288883","2024-01-06","09:35:19","" "7159686","11.9232","0.0003","10.4301","0.0004","22.0572","0.0008","90","","100.919","0.001","90","","2693.38","0.16","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 N2 O3 -","- C33 H32 N2 O3 -","- C132 H128 N8 O12 -","4","1","","Luo, Wenjun; Zheng, Xinghua; Zhang, Fanglian; Luo, Qiuya; Deng, Wen-Ting; Long, Lipeng; Yu, Daohong; Wang, Zhong-Xia; Chen, Zhengwang","Synthesis of functionalized tetrahydrodibenzo[b,g][1,8]naphthyridin-1(2H)-ones through base-promoted annulation of quinoline-derived dipolarophiles and cyclic enaminones.","Organic & biomolecular chemistry","2023","21","48","9524","9529","10.1039/d3ob01547e","","","0.71073","MoKα","","0.1233","0.0875","","","0.1551","0.1717","","","","","","1.173","","","","has coordinates,has disorder","288893","2024-01-06","09:42:25","" "7159687","11.682","0.0002","16.385","0.0003","15.2184","0.0003","90","","103.063","0.002","90","","2837.57","0.09","99.99","0.14","99.99","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","H2NAib4-L-AlaNHtBu","","- C23 H46 N6 O6 -","- C23 H46 N6 O6 -","- C92 H184 N24 O24 -","4","2","","Tilly, David P.; McColl, Catherine; Hu, Mingda; Vitórica-Yrezábal, Iñigo J; Webb, Simon J.","Enantioselective conjugate addition to nitroolefins catalysed by helical peptides with a single remote stereogenic centre.","Organic & biomolecular chemistry","2023","21","48","9562","9571","10.1039/d3ob01594g","","x-ray","1.54184","CuKα","","0.0485","0.0384","","","0.0912","0.0972","","","","","","1.06","","","","has coordinates","288896","2024-01-06","09:43:41","" "7159688","11.6688","0.0004","7.6572","0.0002","13.4891","0.0004","90","","101.345","0.002","90","","1181.71","0.06","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H28 N2 O6 -","- C27 H28 N2 O6 -","- C54 H56 N4 O12 -","2","1","","Denhez, Clément; Lameiras, Pedro; Berber, Hatice","Atropisomerism about aryl-C(sp3) bonds: chemically driven rotational pathway in cannabidiol derivatives.","Organic & biomolecular chemistry","2023","21","48","9572","9582","10.1039/d3ob01617j","","","1.54178","CuKα","","0.0403","0.0347","","","0.0783","0.0822","","","","","","1.021","","","","has coordinates","288895","2024-01-06","09:43:22","" "7159689","8.3294","0.0019","9.907","0.002","16.337","0.004","75.76","0.003","78.824","0.003","69.309","0.003","1213.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C56 H60 N4 O8 -","2","1","","Mali, Ghanshyam; Kumar Yadav, Vinay; Priya, Himani; Shukla, Manjari; Pandey, Peeyush; Kumar, Akhilesh; Paranjothy, Manikandan; Bhattacharyya, Sudipta; Erande, Rohan D.","The rapid construction and biological evaluation of densely substituted pyrrolo[1,2-a]indoles via a BF3·OEt2-assisted cascade approach.","Organic & biomolecular chemistry","2023","21","48","9659","9668","10.1039/d3ob01457f","","","0.71073","MoKα","","0.0743","0.0486","","","0.1193","0.1345","","","","","","1.032","","","","has coordinates","288897","2024-01-06","09:44:07","" "7159690","8.3075","0.0003","10.5823","0.0003","19.6489","0.0007","98.16","0.001","91.301","0.001","111.168","0.001","1589.39","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N2 O4 -","- C36 H46 N2 O4 -","- C72 H92 N4 O8 -","2","1","","Mali, Ghanshyam; Kumar Yadav, Vinay; Priya, Himani; Shukla, Manjari; Pandey, Peeyush; Kumar, Akhilesh; Paranjothy, Manikandan; Bhattacharyya, Sudipta; Erande, Rohan D.","The rapid construction and biological evaluation of densely substituted pyrrolo[1,2-a]indoles via a BF3·OEt2-assisted cascade approach.","Organic & biomolecular chemistry","2023","21","48","9659","9668","10.1039/d3ob01457f","","","0.71073","MoKα","","0.0745","0.0507","","","0.1179","0.1312","","","","","","1.032","","","","has coordinates","288897","2024-01-06","09:44:20","" "7159692","13.9745","0.0006","20.9846","0.0008","7.8209","0.0004","90","","119.645","0.001","90","","1993.27","0.15","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H21 F N2 O2 -","- C25 H21 F N2 O2 -","- C100 H84 F4 N8 O8 -","4","1","","Takallou, Ahmad; Al-Siyabi, Munir; Al-Shidhani, Sulaiman; Lotfi Nosood, Yazdanbakhsh; Habibi, Azizollah; Almaani, Alhajaj; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Preparation of pyridopyrazines through tandem Pd-catalyzed C-N/C-C coupling reactions of Ugi adducts.","Organic & biomolecular chemistry","2023","21","48","9530","9533","10.1039/d3ob01768k","","x-ray","0.71073","MoKα","","0.0462","0.035","","","0.0788","0.0877","","","","","","1.068","","","","has coordinates","288890","2024-01-06","09:40:43","" "7159693","9.0733","0.0017","11.2285","0.0018","21.135","0.004","85.568","0.007","87.255","0.008","81.71","0.007","2122.9","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C112 H80 N8 O8 -","4","2","","Takallou, Ahmad; Al-Siyabi, Munir; Al-Shidhani, Sulaiman; Lotfi Nosood, Yazdanbakhsh; Habibi, Azizollah; Almaani, Alhajaj; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Preparation of pyridopyrazines through tandem Pd-catalyzed C-N/C-C coupling reactions of Ugi adducts.","Organic & biomolecular chemistry","2023","21","48","9530","9533","10.1039/d3ob01768k","","x-ray","0.71073","MoKα","","0.1088","0.0752","","","0.2278","0.2705","","","","","","1.093","","","","has coordinates","288890","2024-01-06","09:40:55","" "7159699","4.1549","0.0005","25.864","0.002","8.0655","0.0009","90","","101.904","0.011","90","","848.1","0.16","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 Br N3 -","- C9 H6 Br N3 -","- C36 H24 Br4 N12 -","4","1","","Kobayashi, Kazuki; Kasakura, Nozomi; Kikukawa, Seiya; Matsumoto, Shota; Karasawa, Satoru; Hata, Takeshi","Facile preparation of polycyclic halogen-substituted 1,2,3-triazoles by using intramolecular Huisgen cycloaddition.","Organic & biomolecular chemistry","2023","21","48","9610","9615","10.1039/d3ob01283b","","x-ray","1.54184","CuKα","","0.1433","0.1178","","","0.2942","0.3278","","","","","","1.311","","","","has coordinates","288894","2024-01-06","09:42:44","" "7159700","9.0182","0.0005","13.7411","0.0004","9.4416","0.0005","90","","118.495","0.007","90","","1028.27","0.11","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C52 H44 N12 O4 -","4","1","","Kobayashi, Kazuki; Kasakura, Nozomi; Kikukawa, Seiya; Matsumoto, Shota; Karasawa, Satoru; Hata, Takeshi","Facile preparation of polycyclic halogen-substituted 1,2,3-triazoles by using intramolecular Huisgen cycloaddition.","Organic & biomolecular chemistry","2023","21","48","9610","9615","10.1039/d3ob01283b","","x-ray","1.54184","CuKα","","0.0456","0.0398","","","0.1119","0.1159","","","","","","1.054","","","","has coordinates","288894","2024-01-06","09:42:52","" "7159701","9.3536","0.0003","10.4366","0.0003","13.3657","0.0004","78.907","0.002","79.54","0.003","76.41","0.003","1231.75","0.07","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 N4 -","- C16 H12 N4 -","- C64 H48 N16 -","4","2","","Kobayashi, Kazuki; Kasakura, Nozomi; Kikukawa, Seiya; Matsumoto, Shota; Karasawa, Satoru; Hata, Takeshi","Facile preparation of polycyclic halogen-substituted 1,2,3-triazoles by using intramolecular Huisgen cycloaddition.","Organic & biomolecular chemistry","2023","21","48","9610","9615","10.1039/d3ob01283b","","x-ray","1.54184","CuKα","","0.0699","0.0595","","","0.1376","0.1434","","","","","","1.109","","","","has coordinates","288894","2024-01-06","09:43:02","" "7159703","7.4594","0.0005","11.1518","0.0007","14.7331","0.0009","94.669","0.004","101.035","0.004","99.434","0.004","1178.58","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Cl2 I N -","- C27 H22 Cl2 I N -","- C54 H44 Cl4 I2 N2 -","2","1","","Yunyaeva, Olga; Hean, Duane; Wolf, Michael O.","Restricted rotation and tunable fluorescence in atropisomeric naphthyl pyridine chromophores.","Organic & biomolecular chemistry","2023","21","48","9623","9629","10.1039/d3ob01819a","","x-ray","0.71073","MoKα","","0.0427","0.0369","","","0.089","0.0925","","","","","","1.06","","","","has coordinates,has disorder","288892","2024-01-06","09:41:53","" "7159705","5.1374","0.0002","19.8255","0.0007","12.6832","0.0004","90","","92.011","0.001","90","","1291.01","0.08","123","2","123","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 -","- C40 H26 -","- C80 H52 -","2","0.5","","Polkaehn, Jonas; Ehlers, Peter; Villinger, Alexander; Langer, Peter","Pyrene-bridged acenaphthenes: synthesis and properties of a diacenaphtho[1,2-e:1',2'-l]pyrene and its symmetrical nitrogen analogue.","Organic & biomolecular chemistry","2023","21","48","9669","9676","10.1039/d3ob01744c","","","0.71073","MoKα","","0.0654","0.0493","","","0.1215","0.137","","","","","","1.042","","","","has coordinates,has disorder","288898","2024-01-06","09:44:43","" "7159706","17.3542","0.0007","22.6322","0.0008","8.8875","0.0004","90","","90","","90","","3490.7","0.2","299","2","299","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C1.063 H1.875 N0.125 O0.125 -","- C1.0625 H1.875 N0.125 O0.125 -","- C136 H240 N16 O16 -","128","8","","Singh, Hanuman; Chenna, Akshay; Gangwar, Upanshu; Dutta, Souvik; Kurur, Narayanan D.; Goel, Gaurav; Haridas, V.","Bispidine as a promising scaffold for designing molecular machines.","Organic & biomolecular chemistry","2023","21","45","9054","9060","10.1039/d3ob01406a","","","0.71073","MoKα","","0.0401","0.034","","","0.0852","0.0905","","","","","","1.0518","","","","has coordinates","288047","2023-12-05","19:29:19","" "7159750","7.7704","0.0004","11.2784","0.0005","11.4173","0.0008","90","","107.296","0.007","90","","955.34","0.1","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H25 N -","- C25 H25 N -","- C50 H50 N2 -","2","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1H)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","1.54178","CuKα","","0.0849","0.0684","","","0.1702","0.1947","","","","","","1.042","","","","has coordinates","288699","2024-01-05","12:56:42","" "7159751","7.7133","0.0002","11.0969","0.0003","17.3223","0.0006","90","","92.53","0.001","90","","1481.23","0.08","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1H)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","0.71073","MoKα","","0.0959","0.064","","","0.1569","0.1975","","","","","","1.061","","","","has coordinates","288699","2024-01-05","12:56:53","" "7159752","7.8405","0.0004","10.9929","0.0006","17.4746","0.0009","90","","90","","90","","1506.13","0.14","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1H)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","1.54178","CuKα","","0.0757","0.0674","","","0.1791","0.1917","","","","","","1.044","","","","has coordinates","288699","2024-01-05","12:57:03","" "7159753","10.9527","0.0002","12.7611","0.0003","17.1116","0.0004","90","","90","","90","","2391.66","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H23 N O4 S -","- C32 H23 N O4 S -","- C128 H92 N4 O16 S4 -","4","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1H)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","1.54178","CuKα","","0.0567","0.0552","","","0.1351","0.1364","","","","","","1.058","","","","has coordinates","288699","2024-01-05","12:57:15","" "7205543","9.9543","0.0007","5.9678","0.0004","10.1404","0.0007","90","","90","","90","","602.39","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","selenolo(3,2-b)thiophene","selenolo[3,2-b]thiophene","","- C6 H4 S Se -","- C6 H4 S Se -","- C24 H16 S4 Se4 -","4","0.5","","Mishra, Sarada P.; Javier, Anna E.; Zhang, Rui; Liu, Junying; Belot, John A.; Osaka, Itaru; McCullough, Richard D.","Mixed selenium-sulfur fused ring systems as building blocks for novel polymers used in field effect transistors","Journal of Materials Chemistry","2011","21","5","1551","","10.1039/c0jm00602e","","","0.71073","MoKα","","0.0224","0.0201","","","0.0585","0.0596","","","","","","1.058","","","","has coordinates","180386","2020-10-21","18:00:00","" "7205544","18.4493","0.0018","16.6052","0.0016","14.1055","0.0012","90","","99.196","0.004","90","","4265.7","0.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H42 O S9 -","- C43 H42 O S9 -","- C172 H168 O4 S36 -","4","1","","Wright, Iain A.; Skabara, Peter J.; Forgie, John C.; Kanibolotsky, Alexander L.; González, Blanca; Coles, Simon J.; Gambino, Salvatore; Samuel, Ifor D. W.","Electronic, redox and charge transport properties of an unusual hybrid structure: a bis(septithiophene) bridged by a fused tetrathiafulvalene (TTF)","Journal of Materials Chemistry","2011","21","5","1462","","10.1039/c0jm02293d","","","0.71073","MoKα","","0.2375","0.1478","","","0.2442","0.2903","","","","","","1.114","","","","has coordinates","301863","2025-08-22","13:07:25","" "7205545","11.7929","0.0002","12.7339","0.0003","15.5721","0.0004","82.895","0.001","74.031","0.002","66.263","0.002","2057.8","0.09","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C87 H84 S20 -","- C87 H84 S20 -","- C87 H84 S20 -","1","0.5","","Wright, Iain A.; Skabara, Peter J.; Forgie, John C.; Kanibolotsky, Alexander L.; González, Blanca; Coles, Simon J.; Gambino, Salvatore; Samuel, Ifor D. W.","Electronic, redox and charge transport properties of an unusual hybrid structure: a bis(septithiophene) bridged by a fused tetrathiafulvalene (TTF)","Journal of Materials Chemistry","2011","21","5","1462","","10.1039/c0jm02293d","","","0.71073","MoKα","","0.0702","0.0532","","","0.1385","0.15","","","","","","1.021","","","","has coordinates","301863","2025-08-22","13:07:25","" "7205546","6.2605","0.0007","29.481","0.004","8.9958","0.001","90","","92.235","0.003","90","","1659.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 O6 -","- C18 H22 O6 -","- C72 H88 O24 -","4","1","","Murphy, Erin B.","The return of photoelastic stress measurements: utilizing birefringence to monitor damage and repair in healable materials","Journal of Materials Chemistry","2011","21","5","1438","","10.1039/c0jm02308f","","","0.71073","MoKα","","0.0929","0.0527","","","0.1255","0.1503","","","","","","0.936","","","","has coordinates","301863","2025-08-22","13:07:25","" "7205547","12.357","0.002","12.711","0.002","14.644","0.003","91.192","0.003","104.382","0.003","101.723","0.003","2175.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50.83 H41.74 N2.91 O12 Si -","- C50.82 H41.73 N2.91 O12 Si -","- C101.64 H83.46 N5.82 O24 Si2 -","2","1","","Sarkar, Arindam; Tham, Fook S.; Haddon, Robert C.","Synthesis, crystallization, electrochemistry and single crystal X-ray analysis of a methoxy-substituted-tris-phenalenyl based neutral radical","Journal of Materials Chemistry","2011","21","5","1574","","10.1039/c0jm02397c","","","0.71073","MoKα","","0.1138","0.0547","","","0.1258","0.1563","","","","","","1.043","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00","" "7205548","13.1909","0.0002","41.2909","0.0005","11.657","0.0002","90","","105.166","0.0004","90","","6128.02","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70.72 H56.44 B Cl3.44 O12 Si -","- C70.72 H56.44 B Cl3.44 O12 Si -","- C282.88 H225.76 B4 Cl13.76 O48 Si4 -","4","1","","Sarkar, Arindam; Tham, Fook S.; Haddon, Robert C.","Synthesis, crystallization, electrochemistry and single crystal X-ray analysis of a methoxy-substituted-tris-phenalenyl based neutral radical","Journal of Materials Chemistry","2011","21","5","1574","","10.1039/c0jm02397c","","","0.71073","MoKα","","0.08","0.0557","","","0.1408","0.1562","","","","","","1.041","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00","" "7205549","12.097","0.008","13.934","0.009","16.889","0.01","90","","94.519","0.012","90","","2838","3","297","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 F6 N2 -","- C36 H22 F6 N2 -","- C144 H88 F24 N8 -","4","1","","Li, Yueqin; Xu, Huihua; Tao, Xian; Qian, Kejia; Fu, Shuang; Shen, Yingzhong; Ding, Shijin","Synthesis and memory characteristics of highly organo-soluble polyimides bearing a noncoplanar twisted biphenyl unit containing aromatic side-chain groups","Journal of Materials Chemistry","2011","21","6","1810","","10.1039/c0jm02547j","","","0.71073","MoKα","","0.1284","0.0695","","","0.1494","0.1791","","","","","","1.044","","","","has coordinates","301863","2025-08-22","13:07:25","" "7205550","17.257","0.004","17.152","0.003","15.542","0.003","90","","116.36","0.03","90","","4122","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 F6 O8 -","- C48 H36 F6 O8 -","- C192 H144 F24 O32 -","4","1","","Li, Yueqin; Xu, Huihua; Tao, Xian; Qian, Kejia; Fu, Shuang; Shen, Yingzhong; Ding, Shijin","Synthesis and memory characteristics of highly organo-soluble polyimides bearing a noncoplanar twisted biphenyl unit containing aromatic side-chain groups","Journal of Materials Chemistry","2011","21","6","1810","","10.1039/c0jm02547j","","","0.71073","MoKα","","0.1483","0.0969","","","0.2126","0.2426","","","","","","1.185","","","","has coordinates","301863","2025-08-22","13:07:25","" "7205551","10.9511","0.0003","10.1813","0.0003","14.9822","0.0004","90","","96.815","0.001","90","","1658.66","0.08","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 Cl2 N6 O Pt -","- C12 H19 Cl2 N6 O Pt -","- C48 H76 Cl8 N24 O4 Pt4 -","4","1","","McKinnon, Stephen D. J.; Gilroy, Joe B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Magnetostructural studies of palladium(ii) and platinum(ii) complexes of verdazyl radicals","Journal of Materials Chemistry","2011","21","5","1523","","10.1039/c0jm02560g","","","0.71073","MoKα","","0.0218","0.0187","","","0.0446","0.0457","","","","","","1.082","","","","has coordinates","180386","2020-10-21","18:00:00","" "7205552","6.9439","0.0008","11.4246","0.0013","15.6571","0.0018","90","","90","","90","","1242.1","0.2","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 Cl2 N5 O Pd -","- C9 H10 Cl2 N5 O Pd -","- C36 H40 Cl8 N20 O4 Pd4 -","4","1","","McKinnon, Stephen D. J.; Gilroy, Joe B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Magnetostructural studies of palladium(ii) and platinum(ii) complexes of verdazyl radicals","Journal of Materials Chemistry","2011","21","5","1523","","10.1039/c0jm02560g","","","0.71073","MoKα","","0.0165","0.0159","","","0.0399","0.0402","","","","","","1.09","","","","has coordinates","180386","2020-10-21","18:00:00","" "7205553","9.9445","0.0009","17.0345","0.0016","10.1105","0.001","90","","105.865","0.0012","90","","1647.5","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cl2 N5 O Pd -","- C13 H18 Cl2 N5 O Pd -","- C52 H72 Cl8 N20 O4 Pd4 -","4","1","","McKinnon, Stephen D. J.; Gilroy, Joe B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Magnetostructural studies of palladium(ii) and platinum(ii) complexes of verdazyl radicals","Journal of Materials Chemistry","2011","21","5","1523","","10.1039/c0jm02560g","","","0.71073","MoKα","","0.0355","0.0261","","","0.0626","0.0664","","","","","","1.041","","","","has coordinates","180386","2020-10-21","18:00:00","" "7205554","9.8844","0.0013","17.179","0.002","10.068","0.0014","90","","106.072","0.002","90","","1642.8","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cl2 N5 O Pt -","- C13 H18 Cl2 N5 O Pt -","- C52 H72 Cl8 N20 O4 Pt4 -","4","1","","McKinnon, Stephen D. J.; Gilroy, Joe B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Magnetostructural studies of palladium(ii) and platinum(ii) complexes of verdazyl radicals","Journal of Materials Chemistry","2011","21","5","1523","","10.1039/c0jm02560g","","","0.71073","MoKα","","0.0444","0.0291","","","0.0608","0.0666","","","","","","1.051","","","","has coordinates","180386","2020-10-21","18:00:00","" "7205555","11.0168","0.0006","10.3045","0.0006","14.9488","0.0009","90","","96.9769","0.0008","90","","1684.46","0.17","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 Cl2 N6 O Pd -","- C12 H19 Cl2 N6 O Pd -","- C48 H76 Cl8 N24 O4 Pd4 -","4","1","","McKinnon, Stephen D. J.; Gilroy, Joe B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Magnetostructural studies of palladium(ii) and platinum(ii) complexes of verdazyl radicals","Journal of Materials Chemistry","2011","21","5","1523","","10.1039/c0jm02560g","","","0.71073","MoKα","","0.0211","0.0195","","","0.0498","0.0509","","","","","","1.07","","","","has coordinates","180386","2020-10-21","18:00:00","" "7205556","13.18","0.008","21.194","0.013","7.735","0.005","90","","95.299","0.007","90","","2151","2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 N2 S6 -","- C44 H56 N2 S6 -","- C88 H112 N4 S12 -","2","0.5","","McEntee, Greg J.; Vilela, Filipe; Skabara, Peter J.; Anthopoulos, Thomas D.; Labram, John G.; Tierney, Steve; Harrington, Ross W.; Clegg, William","Self-assembly and charge transport properties of a benzobisthiazole end-capped with dihexyl thienothiophene units","Journal of Materials Chemistry","2011","21","7","2091","","10.1039/c0jm02607g","","","0.6889","synchrotron","","0.0723","0.0499","","","0.1219","0.1338","","","","","","1.032","","","","has coordinates","301863","2025-08-22","13:07:25","" "7205557","11.2179","0.0007","14.6724","0.001","17.2101","0.0012","90","","94.816","0.002","90","","2822.7","0.3","150","","150","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N4 O4 Zr -","- C36 H24 N4 O4 Zr -","- C144 H96 N16 O16 Zr4 -","4","1","","Kathirgamanathan, Poopathy; Surendrakumar, Sivagnanasundram; Antipan-Lara, Juan; Ravichandran, Seenivasagam; Reddy, Vanga R.; Ganeshamurugan, Subramaniam; Kumaraverl, Muttulingam; Arkley, Vincent; Blake, Alexander J.; Bailey, Daniel","Discovery of two new phases of zirconium tetrakis(8-hydroxyquinolinolate): synthesis, crystal structure and their electron transporting characteristics in organic light emitting diodes (OLEDs)","Journal of Materials Chemistry","2011","21","6","1762","","10.1039/c0jm02644a","","","0.71073","MoKα","","0.0603","0.0368","","","0.0788","0.0864","","","","","","0.95","","","","has coordinates","301863","2025-08-22","13:07:25","" "7205558","20.112","0.0007","8.292","0.0003","17.3925","0.0006","90","","90","","90","","2900.52","0.18","300","","300","","","","","","","","see text","5","P c a 21","P 2c -2ac","29","","","","- C36 H24 N4 O4 Zr -","- C36 H24 N4 O4 Zr -","- C144 H96 N16 O16 Zr4 -","4","1","","Kathirgamanathan, Poopathy; Surendrakumar, Sivagnanasundram; Antipan-Lara, Juan; Ravichandran, Seenivasagam; Reddy, Vanga R.; Ganeshamurugan, Subramaniam; Kumaraverl, Muttulingam; Arkley, Vincent; Blake, Alexander J.; Bailey, Daniel","Discovery of two new phases of zirconium tetrakis(8-hydroxyquinolinolate): synthesis, crystal structure and their electron transporting characteristics in organic light emitting diodes (OLEDs)","Journal of Materials Chemistry","2011","21","6","1762","","10.1039/c0jm02644a","","x-ray","0.71073","MoKα","","0.0307","0.0253","","","0.0596","0.0616","","","","","","0.99","","","","has coordinates","301863","2025-08-22","13:07:25","" "7205559","7.8299","0.0006","11.0435","0.0003","12.3544","0.0009","90","","90","","90","","1068.28","0.12","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Ru -","- C13 H16 Ru -","- C52 H64 Ru4 -","4","1","","Jipa, Ilona; Danova, Katya; Popovska, Nadejda; Siddiqi, M. Aslam; Siddiqui, Rehan A.; Atakan, Burak; Cremer, Till; Maier, Florian; Marbach, Hubertus; Steinrück, Hans-Peter; Heinemann, Frank W.; Zenneck, Ulrich","Methylated [(arene)(1,3-cyclohexadiene)Ru(0)] complexes as low-melting MOCVD precursor complexes with a controlled follow-up chemistry of the ligands","Journal of Materials Chemistry","2011","21","9","3014","","10.1039/c0jm02652b","","","0.71073","MoKα","","0.0299","0.0278","","","0.0672","0.068","","","","","","1.205","","","","has coordinates","176432","2020-10-21","18:00:00","" "7205560","7.6694","0.0004","8.274","0.0004","8.5494","0.0002","91.821","0.003","108.474","0.004","93.874","0.003","512.57","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H16 Ru -","- C13 H16 Ru -","- C26 H32 Ru2 -","2","1","","Jipa, Ilona; Danova, Katya; Popovska, Nadejda; Siddiqi, M. Aslam; Siddiqui, Rehan A.; Atakan, Burak; Cremer, Till; Maier, Florian; Marbach, Hubertus; Steinrück, Hans-Peter; Heinemann, Frank W.; Zenneck, Ulrich","Methylated [(arene)(1,3-cyclohexadiene)Ru(0)] complexes as low-melting MOCVD precursor complexes with a controlled follow-up chemistry of the ligands","Journal of Materials Chemistry","2011","21","9","3014","","10.1039/c0jm02652b","","","0.71073","MoKα","","0.0293","0.0231","","","0.05","0.0514","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00","" "7205561","5.9529","0.0001","7.9576","0.0005","19.791","0.001","90","","90","","90","","937.52","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Ru -","- C12 H14 Ru -","- C48 H56 Ru4 -","4","1","","Jipa, Ilona; Danova, Katya; Popovska, Nadejda; Siddiqi, M. Aslam; Siddiqui, Rehan A.; Atakan, Burak; Cremer, Till; Maier, Florian; Marbach, Hubertus; Steinrück, Hans-Peter; Heinemann, Frank W.; Zenneck, Ulrich","Methylated [(arene)(1,3-cyclohexadiene)Ru(0)] complexes as low-melting MOCVD precursor complexes with a controlled follow-up chemistry of the ligands","Journal of Materials Chemistry","2011","21","9","3014","","10.1039/c0jm02652b","","","0.71073","MoKα","","0.0118","0.0114","","","0.0265","0.0266","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00","" "7205562","9.4415","0.0003","8.0573","0.0003","8.1969","0.0003","90","","90.41","0.002","90","","623.55","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O2 S4 -","- C12 H10 O2 S4 -","- C24 H20 O4 S8 -","2","0.5","","Wijsboom, Yair Haim; Sheynin, Yana; Patra, Asit; Zamoshchik, Natalia; Vardimon, Ran; Leitus, Gregory; Bendikov, Michael","Tuning of electronic properties and rigidity in PEDOT analogs","Journal of Materials Chemistry","2011","21","5","1368","","10.1039/c0jm02679d","","","0.71073","MoKα","","0.0636","0.0628","","","0.13","0.1304","","","","","","1.373","","","","has coordinates,has disorder","301863","2025-08-22","13:07:25","" "7205563","8.1576","0.0004","13.1699","0.0013","15.4841","0.0009","78.71","0.007","80.782","0.005","88.271","0.006","1610.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H11 I4 O4 S12 -","- C20 H11 I4 O4 S12 -","- C40 H22 I8 O8 S24 -","2","1","","Lakhdar, Youssef; Mézière, Cécile; Zorina, Leokadiya; Giffard, Michel; Batail, Patrick; Canadell, Enric; Auban-Senzier, Pascale; Pasquier, Claude; Jérome, Denis; Náfrádi, Bálint; Fórró, László","Dual [proton]/[hole] mixed valence in a molecular metal: balancing chemical activity in the solid state by tapping into a molecular hole reservoir","Journal of Materials Chemistry","2011","21","5","1516","","10.1039/c0jm02897e","","","0.71073","MoKα","","0.0563","0.027","","","0.0489","0.0557","","","","","","1.008","","","","has coordinates","180386","2020-10-21","18:00:00","" "7205564","5.0316","0.001","6.4982","0.0013","10.301","0.002","90","","91.56","0.03","90","","336.68","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2 H2 N4 -","- C2 H2 N4 -","- C8 H8 N16 -","4","1","","Qi, Cai; Li, Sheng-Hua; Li, Yu-Chuan; Wang, Yuan; Chen, Xu-Kun; Pang, Si-Ping","A novel stable high-nitrogen energetic material: 4,4′-azobis(1,2,4-triazole)","Journal of Materials Chemistry","2011","21","9","3221","","10.1039/c0jm02970j","","","0.71073","MoKα","","0.06","0.0513","","","0.1512","0.1572","","","","","","1.14","","","","has coordinates","301863","2025-08-22","13:07:25","" "7205565","7.2256","0.0002","11.6583","0.0004","12.7817","0.0004","90","","90","","90","","1076.71","0.06","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- B5 Cs2 Li3 O10 -","- B5 Cs2 Li3 O10 -","- B20 Cs8 Li12 O40 -","4","0.5","","Yang, Yun; Pan, Shilie; Hou, Xueling; Wang, Chuanyi; Poeppelmeier, Kenneth R.; Chen, Zhaohui; Wu, Hongping; Zhou, Zhongxiang","A congruently melting and deep UV nonlinear optical material: Li3Cs2B5O10","Journal of Materials Chemistry","2011","21","9","2890","","10.1039/c0jm03187a","","","0.71073","MoKα","","0.0248","0.0246","","","0.0586","0.0587","","","","","","1.036","","","","has coordinates","180386","2020-10-21","18:00:00","" "7205566","10.9816","0.0002","18.0168","0.0003","26.2966","0.0006","90","","106.586","0.001","90","","4986.39","0.17","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 Cl N5 O2 -","- C29 H22 Cl N5 O2 -","- C232 H176 Cl8 N40 O16 -","8","2","","Guo, Jixi; Jia, Dianzeng; Liu, Lang; Yuan, Hui; Li, Feng","Solid-state photochromism of pyrazolones with highly improved sensitivity, fatigue resistance and reversible fluorescent switching properties","Journal of Materials Chemistry","2011","21","9","3210","","10.1039/c0jm03216f","","","0.71073","MoKα","","0.0748","0.0486","","","0.1215","0.1548","","","","","","1.112","","","","has coordinates","301863","2025-08-22","13:07:25","" "7205567","12.7246","0.0008","12.41","0.0008","24.2921","0.0015","90","","90","","90","","3836","0.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N8 O8 S2 -","- C30 H54 N8 O8 S2 -","- C120 H216 N32 O32 S8 -","4","0.5","","Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.","Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks","Journal of Materials Chemistry","2011","21","7","2204","","10.1039/c0jm03449e","","","0.71073","MoKα","","0.0389","0.0343","","","0.0941","0.0994","","","","","","1.047","","","","has coordinates","180386","2020-10-21","18:00:00","" "7205568","7.67","0.0006","9.2621","0.0007","29.002","0.002","90","","94.113","0.001","90","","2055","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 N8 O8 S2 -","- C32 H56 N8 O8 S2 -","- C64 H112 N16 O16 S4 -","2","0.5","","Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.","Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks","Journal of Materials Chemistry","2011","21","7","2204","","10.1039/c0jm03449e","","","0.71073","MoKα","","0.0421","0.0374","","","0.1013","0.1056","","","","","","1.063","","","","has coordinates","180386","2020-10-21","18:00:00","" "7205569","7.4293","0.0017","12.136","0.003","16.373","0.004","71.479","0.004","88.241","0.004","87.373","0.004","1398.1","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C19.5 H33 N8.5 O7.5 S2 -","- C19.5 H33 N8.5 O7.5 S2 -","- C39 H66 N17 O15 S4 -","2","1","","Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.","Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks","Journal of Materials Chemistry","2011","21","7","2204","","10.1039/c0jm03449e","","","0.71073","MoKα","","0.0509","0.047","","","0.1283","0.1321","","","","","","1.076","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7205570","7.3764","0.0006","12.1391","0.001","16.7417","0.0017","71.392","0.001","85.142","0.002","86.887","0.001","1415","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 N13 O14 S4 -","- C38 H48 N13 O14 S4 -","- C38 H48 N13 O14 S4 -","1","0.5","","Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.","Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks","Journal of Materials Chemistry","2011","21","7","2204","","10.1039/c0jm03449e","","","0.71073","MoKα","","0.1394","0.1209","","","0.3826","0.402","","","","","","1.783","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00","" "7205571","13.1747","0.001","27.939","0.002","12.1826","0.001","90","","90","","90","","4484.3","0.6","200","2","200","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C17 H30 N4 O5 S -","- C17 H30 N4 O5 S -","- C136 H240 N32 O40 S8 -","8","","","Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.","Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks","Journal of Materials Chemistry","2011","21","7","2204","","10.1039/c0jm03449e","","","0.71073","MoKα","","0.0418","0.0371","","","0.1042","0.1096","","","","","","1.048","","","","has coordinates","180386","2020-10-21","18:00:00","" "7205572","7.372","0.0016","16.324","0.004","24.346","0.005","72.595","0.004","89.618","0.004","85.998","0.004","2788.5","1.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H64 N17 O15 S4 -","- C39 H64 N17 O15 S4 -","- C78 H128 N34 O30 S8 -","2","1","","Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.","Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks","Journal of Materials Chemistry","2011","21","7","2204","","10.1039/c0jm03449e","","","0.71073","MoKα","","0.1498","0.0713","","","0.1732","0.2144","","","","","","1.042","","","","has coordinates","180386","2020-10-21","18:00:00","" "7205573","7.5142","0.0004","24.1429","0.0014","17.5439","0.001","90","","90","","90","","3182.7","0.3","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H42 N7 O10 S2 -","- C24 H42 N7 O10 S2 -","- C96 H168 N28 O40 S8 -","4","1","","Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.","Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks","Journal of Materials Chemistry","2011","21","7","2204","","10.1039/c0jm03449e","","","0.71073","MoKα","","0.0417","0.0386","","","0.1096","0.1127","","","","","","1.075","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00","" "7205574","7.2608","0.0003","23.5817","0.0011","18.4741","0.0009","90","","90","","90","","3163.2","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H38 N9 O9 S2 -","- C23 H38 N9 O9 S2 -","- C92 H152 N36 O36 S8 -","4","1","","Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.","Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks","Journal of Materials Chemistry","2011","21","7","2204","","10.1039/c0jm03449e","","","0.71073","MoKα","","0.0464","0.0382","","","0.092","0.0964","","","","","","1.052","","","","has coordinates","180386","2020-10-21","18:00:00","" "7205575","13.245","0.003","16.006","0.003","29.949","0.006","90","","93.84","0.03","90","","6335","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H35 Ir N4 -","- C39 H35 Ir N4 -","- C312 H280 Ir8 N32 -","8","1","","Peng, Tai; Yang, Yu; Bi, Hai; Liu, Yu; Hou, Zhaomin; Wang, Yue","Highly efficient white organic electroluminescence device based on a phosphorescent orange material doped in a blue host emitter","Journal of Materials Chemistry","2011","21","11","3551","","10.1039/c0jm03645e","","","0.71073","MoKα","","0.0492","0.0373","","","0.0627","0.0661","","","","","","1.022","","","","has coordinates","180386","2020-10-21","18:00:00","" "7205576","8.3907","0.0004","30.6491","0.0014","7.7677","0.0004","90","","105.268","0.001","90","","1927.09","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 N2 O S -","- C25 H16 N2 O S -","- C100 H64 N8 O4 S4 -","4","1","","Yao, Dandan; Zhao, Shanshan; Guo, Jianhua; Zhang, Zuolun; Zhang, Hongyu; Liu, Yu; Wang, Yue","Hydroxyphenyl-benzothiazole based full color organic emitting materials generated by facile molecular modification","Journal of Materials Chemistry","2011","21","11","3568","","10.1039/c1jm00009h","","","0.71073","MoKα","","0.083","0.0466","","","0.1225","0.1461","","","","","","1.059","","","","has coordinates","301863","2025-08-22","13:07:25","" "7205577","6.9711","0.0014","11.626","0.002","16.44","0.003","90","","90.97","0.03","90","","1332.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O S -","- C15 H14 N2 O S -","- C60 H56 N8 O4 S4 -","4","1","","Yao, Dandan; Zhao, Shanshan; Guo, Jianhua; Zhang, Zuolun; Zhang, Hongyu; Liu, Yu; Wang, Yue","Hydroxyphenyl-benzothiazole based full color organic emitting materials generated by facile molecular modification","Journal of Materials Chemistry","2011","21","11","3568","","10.1039/c1jm00009h","","","0.71073","MoKα","","0.0864","0.0601","","","0.1732","0.1886","","","","","","1.103","","","","has coordinates","301863","2025-08-22","13:07:25","" "7205578","8.832","0.0006","9.9071","0.0007","11.6033","0.0008","84.83","0.001","84.418","0.001","79.062","0.001","989.44","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N2 O S -","- C25 H18 N2 O S -","- C50 H36 N4 O2 S2 -","2","1","","Yao, Dandan; Zhao, Shanshan; Guo, Jianhua; Zhang, Zuolun; Zhang, Hongyu; Liu, Yu; Wang, Yue","Hydroxyphenyl-benzothiazole based full color organic emitting materials generated by facile molecular modification","Journal of Materials Chemistry","2011","21","11","3568","","10.1039/c1jm00009h","","","0.71073","MoKα","","0.1083","0.0496","","","0.1039","0.1258","","","","","","0.966","","","","has coordinates","301863","2025-08-22","13:07:25","" "7205579","9.949","0.002","15.759","0.003","13.031","0.003","90","","109.1","0.03","90","","1930.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 O S -","- C25 H16 N2 O S -","- C100 H64 N8 O4 S4 -","4","1","","Yao, Dandan; Zhao, Shanshan; Guo, Jianhua; Zhang, Zuolun; Zhang, Hongyu; Liu, Yu; Wang, Yue","Hydroxyphenyl-benzothiazole based full color organic emitting materials generated by facile molecular modification","Journal of Materials Chemistry","2011","21","11","3568","","10.1039/c1jm00009h","","","0.71073","MoKα","","0.06","0.0408","","","0.1032","0.1116","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:07:25","" "7205580","20.542","0.004","7.2295","0.0014","13.494","0.003","90","","98.92","0.03","90","","1979.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O S -","- C25 H18 N2 O S -","- C100 H72 N8 O4 S4 -","4","1","","Yao, Dandan; Zhao, Shanshan; Guo, Jianhua; Zhang, Zuolun; Zhang, Hongyu; Liu, Yu; Wang, Yue","Hydroxyphenyl-benzothiazole based full color organic emitting materials generated by facile molecular modification","Journal of Materials Chemistry","2011","21","11","3568","","10.1039/c1jm00009h","","","0.71073","MoKα","","0.1105","0.0577","","","0.1239","0.1428","","","","","","1.03","","","","has coordinates","301863","2025-08-22","13:07:25","" "7205581","9.7121","0.0014","14.214","0.002","15.29","0.002","90","","104.906","0.002","90","","2039.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tris(2-(4-(trifluoromethyl)-1H-1,2,3-triazol-1-yl)ethyl)amine","","- C15 H15 F9 N10 -","- C15 H15 F9 N10 -","- C60 H60 F36 N40 -","4","1","","Garg, Sonali; Shreeve, Jean'ne M.","Trifluoromethyl- or pentafluorosulfanyl-substituted poly-1,2,3-triazole compounds as dense stable energetic materials","Journal of Materials Chemistry","2011","21","13","4787","","10.1039/c0jm04229c","","","0.71073","MoKα","","0.0614","0.0418","","","0.0913","0.1008","","","","","","1.039","","","","has coordinates","301863","2025-08-22","13:07:25","" "7205582","11.8876","0.0011","11.8876","0.0011","8.2416","0.0009","90","","90","","90","","1164.7","0.2","223","2","223","2","","","","","","","","4","I -4","I -4","82","","? 1,1'-(2,2-bis((4-(trifluoromethyl)-1H-1,2,3-triazol-1-yl)methyl) propane-1,3-diyl)bis(4-(trifluoromethyl)-1H-1,2,3-triazole)?","","- C17 H12 F12 N12 -","- C17 H12 F12 N12 -","- C34 H24 F24 N24 -","2","0.25","","Garg, Sonali; Shreeve, Jean'ne M.","Trifluoromethyl- or pentafluorosulfanyl-substituted poly-1,2,3-triazole compounds as dense stable energetic materials","Journal of Materials Chemistry","2011","21","13","4787","","10.1039/c0jm04229c","","","1.54178","CuKα","","0.0608","0.0607","","","0.1553","0.1554","","","","","","1.046","","","","has coordinates","301863","2025-08-22","13:07:26","" "7205911","24.575","0.003","13.3527","0.0012","20.4212","0.0018","90","","105.367","0.007","90","","6461.5","1.2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H48 F6 Ir N6 P -","- C69 H48 F6 Ir N6 P -","- C276 H192 F24 Ir4 N24 P4 -","4","0.5","","Chen, Hsiao-Fan; Wong, Ken-Tsung; Liu, Yi-Hung; Wang, Yu; Cheng, Yi-Ming; Chung, Min-Wen; Chou, Pi-Tai; Su, Hai-Ching","Bis(diphenylamino)-9,9′-spirobifluorene functionalized Ir(iii) complex: a conceptual design en route to a three-in-one system possessing emitting core and electron and hole transport peripherals","Journal of Materials Chemistry","2011","21","3","768","","10.1039/c0jm02097d","","","0.71073","MoKα","","0.1947","0.1058","","","0.2521","0.3105","","","","","","1.145","","","","has coordinates","180390","2020-10-21","18:00:00","" "7205912","26.259","0.005","14.225","0.003","16.316","0.003","90","","94.423","0.004","90","","6076","2","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H27 N3 -","- C42 H27 N3 -","- C336 H216 N24 -","8","2","","Jiang, Wei; Duan, Lian; Qiao, Juan; Dong, Guifang; Zhang, Deqiang; Wang, Liduo; Qiu, Yong","High-triplet-energy tri-carbazole derivatives as host materials for efficient solution-processed blue phosphorescent devices","Journal of Materials Chemistry","2011","21","13","4918","","10.1039/c0jm03365k","","","0.71073","MoKα","","0.1939","0.094","","","0.1153","0.135","","","","","","1.082","","","","has coordinates","301863","2025-08-22","13:07:26","" "7205913","7.591","0.006","10.23","0.008","8.184","0.006","90","","92.799","0.011","90","","634.8","0.8","298","11","298","11","","","","","","","","4","P 1 21 1","P 2yb","4","Cu(ii)malate enantiomer D","","","- C8 H14 Cu O12 -","- C8 H14 Cu O12 -","- C16 H28 Cu2 O24 -","2","1","","Gudavarthy, Rakesh V.; Burla, Niharika; Kulp, Elizabeth A.; Limmer, Steven J.; Sinn, Ekkehard; Switzer, Jay A.","Epitaxial electrodeposition of chiral CuO films from copper(ii) complexes of malic acid on Cu(111) and Cu(110) single crystals","Journal of Materials Chemistry","2011","21","17","6209","","10.1039/c0jm03423a","","","0.71073","MoKα","","0.0243","0.024","","","0.0659","0.0661","","","","","","1.054","","","","has coordinates","180390","2020-10-21","18:00:00","" "7205914","7.584","0.004","10.214","0.005","8.169","0.004","90","","92.778","0.007","90","","632.1","0.6","298","11","298","11","","","","","","","","4","P 1 21 1","P 2yb","4","Cu(ii)malate enantiomer L","","","- C8 H14 Cu O12 -","- C8 H14 Cu O12 -","- C16 H28 Cu2 O24 -","2","1","","Gudavarthy, Rakesh V.; Burla, Niharika; Kulp, Elizabeth A.; Limmer, Steven J.; Sinn, Ekkehard; Switzer, Jay A.","Epitaxial electrodeposition of chiral CuO films from copper(ii) complexes of malic acid on Cu(111) and Cu(110) single crystals","Journal of Materials Chemistry","2011","21","17","6209","","10.1039/c0jm03423a","","","0.71073","MoKα","","0.0245","0.0241","","","0.0663","0.0666","","","","","","1.024","","","","has coordinates","180390","2020-10-21","18:00:00","" "7205915","8.478","0.006","7.43","0.005","10.295","0.007","90","","102.581","0.009","90","","632.9","0.8","298","11","298","11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cu(ii)malate racemic DL","","","- C8 H14 Cu O12 -","- C8 H14 Cu O12 -","- C16 H28 Cu2 O24 -","2","0.5","","Gudavarthy, Rakesh V.; Burla, Niharika; Kulp, Elizabeth A.; Limmer, Steven J.; Sinn, Ekkehard; Switzer, Jay A.","Epitaxial electrodeposition of chiral CuO films from copper(ii) complexes of malic acid on Cu(111) and Cu(110) single crystals","Journal of Materials Chemistry","2011","21","17","6209","","10.1039/c0jm03423a","","","0.71073","MoKα","","0.0318","0.0294","","","0.0777","0.0806","","","","","","1.13","","","","has coordinates","301863","2025-08-22","13:07:26","" "7205916","9.84196","0.00004","9.84196","0.00004","10.68317","0.00006","90","","90","","120","","896.177","0.007","298","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- Al2 N18.939 O2.061 Si9 Y6.313 -","- Al1.99899 N18.9397 O2.0601 Si9 Y6.31347 -","- Al3.99798 N37.8794 O4.1202 Si18 Y12.6269 -","2","0.333333","","Park, Woon Bae; Singh, Satendra Pal; Pyo, Myoungho; Sohn, Kee-Sun","Y6+x/3Si11−yAlyN20+x−yO1−x+y:Re3+ (Re = Ce3+, Tb3+, Sm3+) phosphors identified by solid-state combinatorial chemistry","Journal of Materials Chemistry","2011","21","15","5780","","10.1039/c0jm03538f","powder diffraction","","1.5493","Synchrotron","","","","","","","","","3.1907","","","","","","","","has coordinates","180390","2020-10-21","18:00:00","" "7205917","10.6431","0.0002","10.6431","0.0002","10.6431","0.0002","90","","90","","90","","1205.6","0.04","298","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- O3 Y2 -","- O2.99994 Y1.99997 -","- O47.999 Y31.9995 -","16","0.333333","","Park, Woon Bae; Singh, Satendra Pal; Pyo, Myoungho; Sohn, Kee-Sun","Y6+x/3Si11−yAlyN20+x−yO1−x+y:Re3+ (Re = Ce3+, Tb3+, Sm3+) phosphors identified by solid-state combinatorial chemistry","Journal of Materials Chemistry","2011","21","15","5780","","10.1039/c0jm03538f","powder diffraction","","1.5493","Synchrotron","","","","","","","","","6.3456","","","","","","","","has coordinates","180390","2020-10-21","18:00:00","" "7205918","7.5492","0.0004","10.4571","0.0005","10.9153","0.0005","90","","110.806","0.005","90","","805.49","0.07","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- N2 O7 Si2 Y4 -","- N2.0002 O6.9998 Si2 Y4 -","- N8.0008 O27.9992 Si8 Y16 -","4","1","","Park, Woon Bae; Singh, Satendra Pal; Pyo, Myoungho; Sohn, Kee-Sun","Y6+x/3Si11−yAlyN20+x−yO1−x+y:Re3+ (Re = Ce3+, Tb3+, Sm3+) phosphors identified by solid-state combinatorial chemistry","Journal of Materials Chemistry","2011","21","15","5780","","10.1039/c0jm03538f","powder diffraction","","1.5493","Synchrotron","","","","","","","","","9.3016","","","","","","","","has coordinates","180390","2020-10-21","18:00:00","" "7205919","6.8239","0.0004","7.2324","0.0003","35.2082","0.0015","90","","90","","90","","1737.64","0.15","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","0.5","","Yoon, Seong-Jun; Park, SooYoung","Polymorphic and mechanochromic luminescence modulation in the highly emissive dicyanodistyrylbenzene crystal: secondary bonding interaction in molecular stacking assembly","Journal of Materials Chemistry","2011","21","23","8338","","10.1039/c0jm03711g","","","0.71073","MoKα","","0.0665","0.0461","","","0.1319","0.1538","","","","","","1.14","","","","has coordinates","301863","2025-08-22","13:07:26","" "7205920","5.96","0.002","7.634","0.003","18.603","0.007","90.145","0.006","95.804","0.006","97.105","0.006","835.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 Ca O10 -","- C16 H14 Ca O10 -","- C32 H28 Ca2 O20 -","2","1","","Furman, Joshua D.; Burwood, Ryan P.; Tang, Min; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Understanding ligand-centred photoluminescence through flexibility and bonding of anthraquinone inorganic‒organic frameworks","Journal of Materials Chemistry","2011","21","18","6595","","10.1039/c0jm03907a","","","0.71073","MoKα","","0.0885","0.0509","","","0.0915","0.1015","","","","","","0.912","","","","has coordinates","180390","2020-10-21","18:00:00","" "7205921","5.8133","0.0001","7.4885","0.0002","18.6076","0.0006","90.404","0.001","95.523","0.002","95.088","0.002","803.01","0.04","120","","120","2","","","","","","","","4","P -1","-P 1","2","Cadmium anthraquinone-2,3-dicarboxylate","","","- C16 H14 Cd O10 -","- C16 H14 Cd O10 -","- C32 H28 Cd2 O20 -","2","1","","Furman, Joshua D.; Burwood, Ryan P.; Tang, Min; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Understanding ligand-centred photoluminescence through flexibility and bonding of anthraquinone inorganic‒organic frameworks","Journal of Materials Chemistry","2011","21","18","6595","","10.1039/c0jm03907a","","","0.71073","MoKα","","0.0524","0.0515","","","0.1409","0.1425","","","","","","1.082","","","","has coordinates","180390","2020-10-21","18:00:00","" "7205922","5.8534","0.0017","7.504","0.002","18.599","0.005","91.1","0.02","95.03","0.02","95.97","0.02","809.1","0.4","298.1","","298.1","","","","","","","","","4","P -1","-P 1","2","Cadmium anthraquinone-2,3-dicarboxylate","","","- C16 H14 Cd O10 -","- C16 H14 Cd O10 -","- C32 H28 Cd2 O20 -","2","1","","Furman, Joshua D.; Burwood, Ryan P.; Tang, Min; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Understanding ligand-centred photoluminescence through flexibility and bonding of anthraquinone inorganic‒organic frameworks","Journal of Materials Chemistry","2011","21","18","6595","","10.1039/c0jm03907a","","","0.7107","MoKα","","0.0775","0.05","","","0.1302","0.1659","","","","","","1.093","","","","has coordinates","180390","2020-10-21","18:00:00","" "7205923","5.799","0.002","7.477","0.003","18.493","0.007","89.639","0.006","85.173","0.006","83.485","0.007","793.8","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Manganese anthraquinone-2,3-dicarboxylate","","","- C16 H14 Mn O10 -","- C16 H14 Mn O10 -","- C32 H28 Mn2 O20 -","2","1","","Furman, Joshua D.; Burwood, Ryan P.; Tang, Min; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Understanding ligand-centred photoluminescence through flexibility and bonding of anthraquinone inorganic‒organic frameworks","Journal of Materials Chemistry","2011","21","18","6595","","10.1039/c0jm03907a","","","0.71073","MoKα","","0.1359","0.0806","","","0.1826","0.2093","","","","","","1.041","","","","has coordinates","180390","2020-10-21","18:00:00","" "7205924","16.308","0.003","7.4101","0.0015","16.183","0.003","90","","106.064","0.004","90","","1879.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ni(II) Anthraquinone-2,3-Dicarboxylic Acid","","","- C16 H20 Ni O13 -","- C16 H20 Ni O13 -","- C64 H80 Ni4 O52 -","4","1","","Furman, Joshua D.; Burwood, Ryan P.; Tang, Min; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Understanding ligand-centred photoluminescence through flexibility and bonding of anthraquinone inorganic–organic frameworks","Journal of Materials Chemistry","2011","21","18","6595","","10.1039/c0jm03907a","","","0.71073","MoKα","","0.1131","0.0622","","","0.1284","0.1587","","","","","","1.083","","","","has coordinates","301863","2025-08-22","13:07:26","" "7205925","7.629","0.002","7.843","0.002","15.045","0.005","91.409","0.006","95.784","0.005","115.16","0.005","808.4","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Zinc(II) Anthraquinone-2,3-dicarboxylate","","","- C16 H14 O10 Zn -","- C16 H14 O10 Zn -","- C32 H28 O20 Zn2 -","2","1","","Furman, Joshua D.; Burwood, Ryan P.; Tang, Min; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Understanding ligand-centred photoluminescence through flexibility and bonding of anthraquinone inorganic‒organic frameworks","Journal of Materials Chemistry","2011","21","18","6595","","10.1039/c0jm03907a","","","0.71073","MoKα","","0.1681","0.0663","","","0.1036","0.1345","","","","","","0.947","","","","has coordinates","180390","2020-10-21","18:00:00","" "7205926","21.657","0.003","21.657","0.003","57.01","0.02","90","","90","","90","","26739","11","200","2","200","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","Ti16","","","- C64 H142 Cl18 O48 Ti16 -","- C64 H142 Cl18 O48 Ti16 -","- C512 H1136 Cl144 O384 Ti128 -","8","0.25","","Périneau, Fabien; Pensec, Sandrine; Sassoye, Capucine; Ribot, François; van Lokeren, Luk; Willem, Rudolph; Bouteiller, Laurent; Sanchez, Clément; Rozes, Laurence","New hybrid core–shell star-like architectures made of poly(n-butyl acrylate) grown from well-defined titanium oxo-clusters","Journal of Materials Chemistry","2011","21","12","4470","","10.1039/c0jm04047a","","","0.71073","MoKα","","0.1577","0.0883","","","0.2802","0.3303","","","","","","1.397","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26","" "7205927","21.887","0.015","11.094","0.007","20.234","0.013","90","","105.373","0.007","90","","4737","5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H39 F12 N4 O0.5 Os P4 -","- C46 H38 F12 N4 O0.5 Os P4 -","- C184 H152 F48 N16 O2 Os4 P16 -","4","1","","Yang, Tianshe; Xia, Ao; Liu, Qian; Shi, Mei; Wu, Huazhou; Xiong, Liqin; Huang, Chunhui; Li, Fuyou","Polymer nanoparticles with an embedded phosphorescent osmium(ii) complex for cell imaging","Journal of Materials Chemistry","2011","21","14","5360","","10.1039/c0jm04235h","","","0.71073","MoKα","","0.0524","0.0381","","","0.0941","0.1007","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00","" "7205928","7.17","0.0002","7.17","0.0002","13.662","0.0002","90","","90","","90","","702.35","0.03","120","1","120","1","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- C22.08 Fe N7.04 Pt -","- C22.08 Fe N7.04 Pt -","- C22.08 Fe N7.04 Pt -","1","0.0625","","Bartual-Murgui, Carlos; Ortega-Villar, Norma A.; Shepherd, Helena J.; Muñoz, M. Carmen; Salmon, Lionel; Molnár, Gábor; Bousseksou, Azzedine; Real, José Antonio","Enhanced porosity in a new 3D Hofmann-like network exhibiting humidity sensitive cooperative spin transitions at room temperature","Journal of Materials Chemistry","2011","21","20","7217","","10.1039/c0jm04387g","","","0.71073","MoKα","","0.0319","0.0311","","","0.0794","0.0798","","","","","","0.859","","","","has coordinates","278046","2022-09-21","15:45:42","" "7205929","7.231","0.0008","7.231","0.0008","13.812","0.004","90","","90","","90","","722.2","0.2","120","1","120","1","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C19 Cl1.56 Fe N6 O0.52 Pt -","- C19 Cl1.56 Fe N6 O0.52 Pt -","- C19 Cl1.56 Fe N6 O0.52 Pt -","1","0.0625","","Bartual-Murgui, Carlos; Ortega-Villar, Norma A.; Shepherd, Helena J.; Muñoz, M. Carmen; Salmon, Lionel; Molnár, Gábor; Bousseksou, Azzedine; Real, José Antonio","Enhanced porosity in a new 3D Hofmann-like network exhibiting humidity sensitive cooperative spin transitions at room temperature","Journal of Materials Chemistry","2011","21","20","7217","","10.1039/c0jm04387g","","","0.71073","MoKα","","0.1092","0.0902","","","0.2335","0.2481","","","","","","1.049","","","","has coordinates","278046","2022-09-21","15:45:42","" "7205930","7.176","0.0002","7.176","0.0002","13.6663","0.0006","90","","90","","90","","703.75","0.04","100","1","100","1","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C23.08 H8 Fe N6 Pt -","- C23.08 H8 Fe N6 Pt -","- C23.08 H8 Fe N6 Pt -","1","0.0625","","Bartual-Murgui, Carlos; Ortega-Villar, Norma A.; Shepherd, Helena J.; Muñoz, M. Carmen; Salmon, Lionel; Molnár, Gábor; Bousseksou, Azzedine; Real, José Antonio","Enhanced porosity in a new 3D Hofmann-like network exhibiting humidity sensitive cooperative spin transitions at room temperature","Journal of Materials Chemistry","2011","21","20","7217","","10.1039/c0jm04387g","","","0.71073","MoKα","","0.0549","0.049","","","0.1401","0.1685","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00","" "7205931","9.5346","0.0006","9.5932","0.0006","13.9476","0.0009","96.674","0.005","105.479","0.006","94.841","0.005","1212.24","0.14","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C36 H24 -","- C36 H24 -","- C72 H48 -","2","1","","Zhao, Zujin; Chen, Shuming; Lam, Jacky W. Y.; Wang, Zhiming; Lu, Ping; Mahtab, Faisal; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Kwok, Hoi Sing; Tang, Ben Zhong","Pyrene-substituted ethenes: aggregation-enhanced excimer emission and highly efficient electroluminescence","Journal of Materials Chemistry","2011","21","20","7210","","10.1039/c0jm04449k","","","1.54178","CuKα","","0.0476","0.0381","","","0.096","0.0994","","","","","","1.012","","","","has coordinates","301863","2025-08-22","13:07:26","" "7205932","8.7695","0.0006","13.3414","0.0011","15.9829","0.0011","77.119","0.008","89.166","0.006","71.187","0.006","1722.2","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C47 H29 Cl3 -","- C47 H29 Cl3 -","- C94 H58 Cl6 -","2","1","","Zhao, Zujin; Chen, Shuming; Lam, Jacky W. Y.; Wang, Zhiming; Lu, Ping; Mahtab, Faisal; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Kwok, Hoi Sing; Tang, Ben Zhong","Pyrene-substituted ethenes: aggregation-enhanced excimer emission and highly efficient electroluminescence","Journal of Materials Chemistry","2011","21","20","7210","","10.1039/c0jm04449k","","","1.54178","CuKα","","0.0875","0.0747","","","0.197","0.2066","","","","","","1.076","","","","has coordinates","301863","2025-08-22","13:07:26","" "7205933","17.2111","0.00016","6.750071","0.000064","13.23655","0.00012","90","","108.518","0.00064","90","","1458.15","0.02","298","","298","","","","","","","","","5","P 1 a 1","P -2ya","7","","","","- C4 H56 B8 Li4 N12 -","- C4 H56 B8 Li4 N12 -","- C8 H112 B16 Li8 N24 -","2","1","","Guo, Yanhui; Gu, Qinfen; Guo, Zaiping; Mao, Jianfeng; Liu, Huakun; Dou, Shixue; Yu, Xuebin","A GBH/LiBH4 coordination system with favorable dehydrogenation","Journal of Materials Chemistry","2011","21","20","7138","","10.1039/c0jm04485g","powder diffraction","","1.30419","synchrotron","","0.026","","","","","","","","1.948","","","","","","","has coordinates","180390","2020-10-21","18:00:00","" "7206039","9.396","0.0007","9.7337","0.0007","22.0591","0.0015","78.68","0.002","78.5522","0.0018","75.835","0.002","1893.9","0.2","93.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 B2 N4 -","- C24 H20 B2 N4 -","- C96 H80 B8 N16 -","4","2","","Kojima, Takahiro; Kumaki, Daisuke; Nishida, Jun-ichi; Tokito, Shizuo; Yamashita, Yoshiro","Organic field-effect transistors based on novel organic semiconductors containing diazaboroles","Journal of Materials Chemistry","2011","21","18","6607","","10.1039/c1jm00002k","","","0.71075","MoKα","","","0.0685","","","","0.208","","","","","","0.999","","","","has coordinates","301863","2025-08-22","13:07:26","" "7206040","8.6051","0.0004","5.5304","0.0002","27.6946","0.0011","90","","97.8185","0.0016","90","","1305.72","0.09","93.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 B2 N4 -","- C36 H28 B2 N4 -","- C72 H56 B4 N8 -","2","0.5","","Kojima, Takahiro; Kumaki, Daisuke; Nishida, Jun-ichi; Tokito, Shizuo; Yamashita, Yoshiro","Organic field-effect transistors based on novel organic semiconductors containing diazaboroles","Journal of Materials Chemistry","2011","21","18","6607","","10.1039/c1jm00002k","","","0.71075","MoKα","","","0.0427","","","","0.1227","","","","","","1.082","","","","has coordinates","301863","2025-08-22","13:07:26","" "7206041","9.1177","0.0015","17.457","0.003","9.9165","0.0016","90","","100.715","0.002","90","","1550.9","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0964","0.0563","","","0.1515","0.192","","","","","","1.024","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00","" "7206042","9.1419","0.0007","17.5398","0.0014","9.7526","0.0008","90","","99.8192","0.0013","90","","1540.9","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0644","0.0391","","","0.1062","0.1254","","","","","","1.021","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26","" "7206043","10.0442","0.0004","13.8741","0.0005","30.5325","0.0012","90","","94.1613","0.0007","90","","4243.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 O2 -","- C25 H30 O2 -","- C200 H240 O16 -","8","2","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0624","0.0464","","","0.1125","0.1214","","","","","","1.044","","","","has coordinates","301863","2025-08-22","13:07:26","" "7206044","7.6558","0.0004","17.7701","0.0009","12.6438","0.0006","90","","97.1985","0.0007","90","","1706.56","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O2 -","- C22 H24 O2 -","- C88 H96 O8 -","4","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0412","0.0376","","","0.1058","0.1093","","","","","","1.033","","","","has coordinates","301863","2025-08-22","13:07:26","" "7206045","8.1422","0.0007","9.8073","0.0008","10.319","0.0009","80.8542","0.0013","87.0945","0.0013","86.9151","0.0013","811.61","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C44 H44 O4 -","2","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0529","0.0425","","","0.1135","0.1244","","","","","","1.084","","","","has coordinates","301863","2025-08-22","13:07:26","" "7206046","6.9024","0.0004","9.0519","0.0006","20.6141","0.0013","87.7209","0.001","82.2444","0.001","82.4091","0.001","1264.68","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H42 O2 -","- C31 H42 O2 -","- C62 H84 O4 -","2","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0565","0.042","","","0.1182","0.1286","","","","","","1.089","","","","has coordinates","301863","2025-08-22","13:07:26","" "7206047","17.3689","0.0007","6.3517","0.0002","17.6297","0.0007","90","","113.119","0.0005","90","","1788.74","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 O2 -","- C25 H24 O2 -","- C100 H96 O8 -","4","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.043","0.0394","","","0.1072","0.1109","","","","","","1.046","","","","has coordinates","301863","2025-08-22","13:07:26","" "7206048","11.2996","0.0005","12.3091","0.0006","12.3511","0.0006","88.7806","0.0007","74.3156","0.0007","75.1626","0.0007","1596.65","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O2 -","- C21 H20 O2 -","- C84 H80 O8 -","4","2","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0576","0.0442","","","0.109","0.1169","","","","","","1.036","","","","has coordinates","301863","2025-08-22","13:07:26","" "7206049","11.2274","0.0004","7.6159","0.0003","14.2498","0.0005","90","","104.981","0.0005","90","","1177.04","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0438","0.0405","","","0.1173","0.1207","","","","","","1.07","","","","has coordinates","301863","2025-08-22","13:07:26","" "7206050","8.5056","0.0007","10.1688","0.0008","14.4684","0.0012","90","","90","","90","","1251.4","0.18","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.036","0.0335","","","0.0872","0.0895","","","","","","1.063","","","","has coordinates","301863","2025-08-22","13:07:26","" "7206051","16.5454","0.0012","7.5826","0.0005","22.0553","0.0015","90","","95.2065","0.0011","90","","2755.6","0.3","100","2","100","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0765","0.0496","","","0.1117","0.1286","","","","","","1.022","","","","has coordinates","301863","2025-08-22","13:07:26","" "7206052","9.783","0.003","8.098","0.003","19.488","0.006","90","","97.331","0.005","90","","1531.3","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0588","0.0401","","","0.1095","0.1279","","","","","","1.016","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26","" "7206053","7.8529","0.0004","8.5743","0.0004","11.4604","0.0006","87.9208","0.0008","80.4985","0.0008","67.0534","0.0007","700.52","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0672","0.0482","","","0.1469","0.1676","","","","","","1.059","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26","" "7206054","8.6243","0.0007","9.3234","0.0008","10.7823","0.0009","113.309","0.0012","101.293","0.0012","93.6011","0.0013","771.27","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C40 H40 O4 -","2","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0641","0.0432","","","0.1116","0.1276","","","","","","1.01","","","","has coordinates,has disorder","301863","2025-08-22","13:07:26","" "7206055","9.1605","0.0002","9.6923","0.0002","10.218","0.0003","67.1901","0.0003","85.3952","0.0004","62.2311","0.0003","734.34","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H36 O4 -","- C38 H36 O4 -","- C38 H36 O4 -","1","0.5","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0467","0.0415","","","0.111","0.1155","","","","","","1.056","","","","has coordinates","301863","2025-08-22","13:07:26","" "7206056","5.9075","0.001","7.3979","0.0013","28.899","0.003","90","","90.592","0.001","90","","1262.9","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H48 Br N O2 -","- C22 H48 Br N O2 -","- C44 H96 Br2 N2 O4 -","2","1","","Wei, Zengbin; Wei, Xilian; Wang, Xiuhong; Wang, Zhongni; Liu, Jie","Ionic liquid crystals of quaternary ammonium salts with a 2-hydroxypropoxy insertion group","Journal of Materials Chemistry","2011","21","19","6875","","10.1039/c1jm10236b","","","0.71073","MoKα","","0.1723","0.0692","","","0.1202","0.1386","","","","","","0.995","","","","has coordinates","301863","2025-08-22","13:07:26","" "7206057","5.6382","0.0006","7.2724","0.0007","26.007","0.002","90","","93.778","0.002","90","","1064.05","0.17","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H42 Br N -","- C19 H42 Br N -","- C38 H84 Br2 N2 -","2","1","","Wei, Zengbin; Wei, Xilian; Wang, Xiuhong; Wang, Zhongni; Liu, Jie","Ionic liquid crystals of quaternary ammonium salts with a 2-hydroxypropoxy insertion group","Journal of Materials Chemistry","2011","21","19","6875","","10.1039/c1jm10236b","","","0.71073","MoKα","","0.1109","0.0903","","","0.2336","0.26","","","","","","1.003","","","","has coordinates","301863","2025-08-22","13:07:26","" "7206058","9.4051","0.0008","11.1593","0.001","14.825","0.0013","106.358","0.001","97.975","0.001","101.611","0.001","1430.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H30 N2 S -","- C39 H30 N2 S -","- C78 H60 N4 S2 -","2","1","","Zhang, Ying; Lai, Shiu-Lun; Tong, Qing-Xiao; Chan, Mei-Yee; Ng, Tsz-Wai; Wen, Zhi-Chun; Zhang, Guo-Qiang; Lee, Shuit-Tong; Kwong, Hoi-Lun; Lee, Chun-Sing","Synthesis and characterization of phenanthroimidazole derivatives for applications in organic electroluminescent devices","Journal of Materials Chemistry","2011","21","22","8206","","10.1039/c1jm10326a","","","0.71073","MoKα","","0.0497","0.0427","","","0.1212","0.1326","","","","","","1.073","","","","has coordinates","301863","2025-08-22","13:07:26","" "7206059","6.7105","0.0009","11.6875","0.0015","15.534","0.002","79.793","0.002","85.714","0.002","74.038","0.002","1152.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1-amino-4-methyl-1H-tetrazol-5(4H)-iminium 4-amino-3,5- dinitropyrazol-1-ide","1-amino-4-methyl-1H-tetrazol-5(4H)-iminium 4-amino-3,5-dinitropyrazol-1-ide","","- C5 H9 N11 O4 -","- C5 H9 N11 O4 -","- C20 H36 N44 O16 -","4","2","","Zhang, Yanqiang; Huang, Yangen; Parrish, Damon A.; Shreeve, Jean'ne M.","4-Amino-3,5-dinitropyrazolate salts—highly insensitive energetic materials","Journal of Materials Chemistry","2011","21","19","6891","","10.1039/c1jm10340g","","","0.71073","MoKα","","0.0401","0.0341","","","0.0874","0.0912","","","","","","1.033","","","","has coordinates","301863","2025-08-22","13:07:27","" "7206060","12.571","0.002","9.381","0.0016","13.169","0.002","90","","97.658","0.002","90","","1539.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Carbonohydrazidium bis-4-amino-3,5-dinitropyrazol-1-ide","","- C7 H12 N14 O9 -","- C7 H12 N14 O9 -","- C28 H48 N56 O36 -","4","0.5","","Zhang, Yanqiang; Huang, Yangen; Parrish, Damon A.; Shreeve, Jean'ne M.","4-Amino-3,5-dinitropyrazolate salts—highly insensitive energetic materials","Journal of Materials Chemistry","2011","21","19","6891","","10.1039/c1jm10340g","","","0.71073","MoKα","","0.0338","0.0314","","","0.0808","0.083","","","","","","1.054","","","","has coordinates","301863","2025-08-22","13:07:27","" "7206061","13.5377","0.0002","13.5377","0.0002","18.3726","0.0005","90","","90","","90","","3367.13","0.12","150","2","150","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C24 H36 Cu F6 N4 O10 Si -","- C24 H20 Cu F6 N4 O10 Si -","- C96 H80 Cu4 F24 N16 O40 Si4 -","4","0.25","","Wang, Sujuan; Li, Lei; Zhang, Jianyong; Yuan, Xiaochen; Su, Cheng-Yong","Anion-tuned sorption and catalytic properties of a soft metal‒organic solid with polycatenated frameworks","Journal of Materials Chemistry","2011","21","20","7098","","10.1039/c1jm10394f","","","1.54178","CuKα","","0.1167","0.0989","","","0.2311","0.2419","","","","","","1.012","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00","" "7206062","19.118","0.003","27.955","0.005","13.258","0.002","90","","123.128","0.006","90","","5933.9","1.7","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 F6 -","- C35 H31 F6 -","- C280 H248 F48 -","8","1","","Lin, Sheng-Hsun; Wu, Fang-Iy; Tsai, Hsiu-Yun; Chou, Pei-Yu; Chou, Ho-Hsiu; Cheng, Chien-Hong; Liu, Rai-Shung","Highly efficient deep-blue organic electroluminescent devices doped with hexaphenylanthracene fluorophores","Journal of Materials Chemistry","2011","21","22","8122","","10.1039/c1jm10424a","","","0.71073","MoKα","","0.2254","0.0768","","","0.1674","0.2436","","","","","","0.963","","","","has coordinates","301863","2025-08-22","13:07:27","" "7206063","13.9453","0.0003","19.2725","0.0004","24.4221","0.0005","90","","122.704","0.002","90","","5523.2","0.2","291","2","291","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H47 Eu N2 O6 -","- C68 H47 Eu N2 O6 -","- C272 H188 Eu4 N8 O24 -","4","1","","Wang, Shimin; Zhang, Jiyuan; Hou, Yanhui; Du, Chenxia; Wu, Yangjie","4,5-Diaza-9,9′-spirobifluorene functionalized europium complex with efficient photo- and electro-luminescent properties","Journal of Materials Chemistry","2011","21","21","7559","","10.1039/c1jm10480b","","","0.7107","MoKα","","0.0484","0.0313","","","0.062","0.0691","","","","","","1.064","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27","" "7206064","45.265","0.004","8.3038","0.0008","9.1833","0.0009","90","","98.583","0.002","90","","3413.1","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H30 N2 O4 -","- C15 H30 N2 O4 -","- C120 H240 N16 O32 -","8","1","","Lin, Joseph C. Y.; Huang, Chao-June; Lee, Yi-Ting; Lee, Kwang-Ming; Lin, Ivan J. B.","Carboxylic acid functionalized imidazolium salts: sequential formation of ionic, zwitterionic, acid-zwitterionic and lithium salt-zwitterionic liquid crystals","Journal of Materials Chemistry","2011","21","22","8110","","10.1039/c1jm10580a","","","0.71073","MoKα","","0.0509","0.0433","","","0.1177","0.1305","","","","","","1.144","","","","has coordinates","301863","2025-08-22","13:07:27","" "7206065","7.7796","0.0005","4.7083","0.0003","47.139","0.003","90","","91.573","0.003","90","","1725.99","0.19","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 Br N2 O2 -","- C15 H27 Br N2 O2 -","- C60 H108 Br4 N8 O8 -","4","1","","Lin, Joseph C. Y.; Huang, Chao-June; Lee, Yi-Ting; Lee, Kwang-Ming; Lin, Ivan J. B.","Carboxylic acid functionalized imidazolium salts: sequential formation of ionic, zwitterionic, acid-zwitterionic and lithium salt-zwitterionic liquid crystals","Journal of Materials Chemistry","2011","21","22","8110","","10.1039/c1jm10580a","","","0.71073","MoKα","","0.0653","0.0457","","","0.122","0.1381","","","","","","1.05","","","","has coordinates","301863","2025-08-22","13:07:27","" "7206066","8.5917","0.0005","14.2392","0.0014","17.7698","0.0016","95.665","0.01","98.824","0.01","103.551","0.01","2067.8","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H52 Br2 Si2 -","- C44 H52 Br2 Si2 -","- C88 H104 Br4 Si4 -","2","1","","Okamoto, Toshihiro; Jiang, Ying; Becerril, Hector A.; Hong, Sanghyun; Senatore, Michelle L.; Tang, Ming L.; Toney, Michael F.; Siegrist, Theo; Bao, Zhenan","Synthesis of regioregular pentacene-containing conjugated polymers","Journal of Materials Chemistry","2011","21","20","7078","","10.1039/c1jm10643k","","","0.71073","MoKα","","0.072","0.0417","","0.1088","0.1037","0.1088","","","","","","0.7655","","","","has coordinates","301863","2025-08-22","13:07:27","" "7206067","10.5231","0.0008","10.9713","0.0008","17.445","0.002","90.807","0.008","89.922","0.008","91.961","0.006","2012.7","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H52 Br2 Si2 -","- C44 H52 Br2 Si2 -","- C88 H104 Br4 Si4 -","2","1","","Okamoto, Toshihiro; Jiang, Ying; Becerril, Hector A.; Hong, Sanghyun; Senatore, Michelle L.; Tang, Ming L.; Toney, Michael F.; Siegrist, Theo; Bao, Zhenan","Synthesis of regioregular pentacene-containing conjugated polymers","Journal of Materials Chemistry","2011","21","20","7078","","10.1039/c1jm10643k","","","0.71073","MoKα","","0.1542","0.0489","","0.0823","0.0535","0.0535","","","","","","1.0662","","","","has coordinates","301863","2025-08-22","13:07:27","" "7206068","7.304","0.0015","9.1675","0.0018","9.5663","0.0019","90","","90","","90","","640.6","0.2","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- Ce H13 N3 O11 P3 -","- Ce H11 N3 O11 P3 -","- Ce2 H22 N6 O22 P6 -","2","0.5","","Yi, Jianglong; Fu, Zhiyong; Liao, Shijun; Song, Desheng; Dai, Jingcao","Nitrogen-containing porous cerium trimetaphosphimate as a new efficient base catalyst","Journal of Materials Chemistry","2011","21","17","6144","","10.1039/c1jm10669d","","","0.71073","MoKα","","0.0194","0.0191","","","0.0471","0.0473","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00","" "7206069","15.264","0.003","12.908","0.003","24.867","0.005","90","","99.4","0.03","90","","4833.7","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 N6 O4.5 Zn -","- C26 H17 N6 O4.5 Zn -","- C208 H136 N48 O36 Zn8 -","8","1","","Fu, Zhiyong; Chen, Yuan; Zhang, Jie; Liao, Shijun","Correlation between the photoactive character and the structures of two novel metal organic frameworks","Journal of Materials Chemistry","2011","21","22","7895","","10.1039/c1jm10945f","","","0.71073","MoKα","","0.0588","0.0331","","","0.0781","0.0975","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00","" "7206070","10.106","0.002","20.726","0.004","16.394","0.003","90","","93.71","0.03","90","","3426.6","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 N6 O9 Zn2 -","- C34 H22 N6 O9 Zn2 -","- C136 H88 N24 O36 Zn8 -","4","1","","Fu, Zhiyong; Chen, Yuan; Zhang, Jie; Liao, Shijun","Correlation between the photoactive character and the structures of two novel metal organic frameworks","Journal of Materials Chemistry","2011","21","22","7895","","10.1039/c1jm10945f","","","0.71073","MoKα","","0.0787","0.053","","","0.138","0.173","","","","","","1.059","","","","has coordinates","180391","2020-10-21","18:00:00","" "7206168","5.4497","0.0004","7.4823","0.0007","16.7814","0.0013","90","","95.212","0.008","90","","681.45","0.1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N3 O3 S -","- C3 H7 N3 O3 S -","- C12 H28 N12 O12 S4 -","4","1","","Luo, Jiangshui; Hu, Jin; Saak, Wolfgang; Beckhaus, Rüdiger; Wittstock, Gunther; Vankelecom, Ivo F. J.; Agert, Carsten; Conrad, Olaf","Protic ionic liquid and ionic melts prepared from methanesulfonic acid and 1H-1,2,4-triazole as high temperature PEMFC electrolytes","Journal of Materials Chemistry","2011","21","28","10426","","10.1039/c0jm04306k","","","0.71073","MoKα","","0.0466","0.0273","","","0.054","0.0574","","","","","","0.881","","","","has coordinates","301863","2025-08-22","13:07:27","" "7206350","14.7078","0.0011","10.1581","0.0008","17.88","0.0014","90","","105.789","0.001","90","","2570.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Fe N3 S6 -","- C18 H36 Fe N3 S6 -","- C72 H144 Fe4 N12 S24 -","4","1","","Akhtar, Masood; Akhter, Javeed; Malik, M. Azad; O'Brien, Paul; Tuna, Floriana; Raftery, James; Helliwell, Madeleine","Deposition of iron sulfide nanocrystals from single source precursors","Journal of Materials Chemistry","2011","21","26","9737","","10.1039/c1jm10703h","","","0.71073","MoKα","","0.0644","0.0539","","","0.1175","0.1236","","","","","","1.139","","","","has coordinates","180394","2020-10-21","18:00:00","" "7206351","7.974","0.002","11.999","0.003","12.112","0.003","76.157","0.005","79.844","0.005","83.699","0.005","1104.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H28 Fe N3 O0.5 S6 -","- C14 H28 Fe N3 O0.5 S6 -","- C28 H56 Fe2 N6 O S12 -","2","1","","Akhtar, Masood; Akhter, Javeed; Malik, M. Azad; O'Brien, Paul; Tuna, Floriana; Raftery, James; Helliwell, Madeleine","Deposition of iron sulfide nanocrystals from single source precursors","Journal of Materials Chemistry","2011","21","26","9737","","10.1039/c1jm10703h","","","0.71073","MoKα","","0.0891","0.0618","","","0.1455","0.1589","","","","","","1.049","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27","" "7206352","7.074","0.0003","10.1883","0.0004","13.977","0.0005","80.255","0.003","87.742","0.003","89.718","0.003","992.04","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 Br2 N -","- C22 H21 Br2 N -","- C44 H42 Br4 N2 -","2","1","","Keyworth, Colin W.; Chan, Khai Leok; Labram, John G.; Anthopoulos, Thomas D.; Watkins, Scott E.; McKiernan, Mary; White, Andrew J. P.; Holmes, Andrew B.; Williams, Charlotte K.","The tuning of the energy levels of dibenzosilole copolymers and applications in organic electronics","Journal of Materials Chemistry","2011","21","32","11800","","10.1039/c1jm11242b","","","1.54184","CuKα","","0.0436","0.0364","","","0.0963","0.1005","","","","","","1.075","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27","" "7206353","19.3994","0.0004","9.571","0.0002","28.8219","0.0007","90","","100.402","0.002","90","","5263.5","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H29 Br2 N3 O -","- C28 H29 Br2 N3 O -","- C224 H232 Br16 N24 O8 -","8","1","","Keyworth, Colin W.; Chan, Khai Leok; Labram, John G.; Anthopoulos, Thomas D.; Watkins, Scott E.; McKiernan, Mary; White, Andrew J. P.; Holmes, Andrew B.; Williams, Charlotte K.","The tuning of the energy levels of dibenzosilole copolymers and applications in organic electronics","Journal of Materials Chemistry","2011","21","32","11800","","10.1039/c1jm11242b","","","0.71073","MoKα","","0.0673","0.0345","","","0.0714","0.0745","","","","","","0.925","","","","has coordinates","301863","2025-08-22","13:07:27","" "7206354","15.5726","0.001","20.4685","0.0013","20.6449","0.0013","65.399","0.001","74.616","0.001","82.172","0.001","5766.3","0.6","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H36 Br24 Cl5 O12 Si8 -","- C54 H20 Br24 Cl2 O12 Si8 -","- C108 H40 Br48 Cl4 O24 Si16 -","2","1","","Roll, Mark F.; Mathur, Priyanka; Takahashi, Kunio; Kampf, Jeffrey W.; Laine, R. M.","[PhSiO1.5]8 promotes self-bromination to produce [o-BrPhSiO1.5]8: further bromination gives crystalline [2,5-Br2PhSiO1.5]8 with a density of 2.32 g cm−3 and a calculated refractive index of 1.7 or the tetraicosa bromo compound [Br3PhSiO1.5]8","Journal of Materials Chemistry","2011","21","30","11167","","10.1039/c1jm11536g","","","0.71073","MoKα","","0.0757","0.0629","","","0.1935","0.2024","","","","","","1.089","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00","" "7206355","12.7172","0.0009","12.7392","0.0009","13.089","0.0009","97.592","0.001","109.075","0.001","116.231","0.001","1699.3","0.2","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H24 Br16 O12 S2 Si8 -","- C49 H24 Br16 O12 S2 Si8 -","- C49 H24 Br16 O12 S2 Si8 -","1","0.5","","Roll, Mark F.; Mathur, Priyanka; Takahashi, Kunio; Kampf, Jeffrey W.; Laine, R. M.","[PhSiO1.5]8 promotes self-bromination to produce [o-BrPhSiO1.5]8: further bromination gives crystalline [2,5-Br2PhSiO1.5]8 with a density of 2.32 g cm−3 and a calculated refractive index of 1.7 or the tetraicosa bromo compound [Br3PhSiO1.5]8","Journal of Materials Chemistry","2011","21","30","11167","","10.1039/c1jm11536g","","","0.71073","MoKα","","0.0313","0.027","","","0.0742","0.0765","","","","","","1.045","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00","" "7206356","20.5738","0.001","20.5738","0.001","36.261","0.004","90","","90","","90","","15349","2","85","2","85","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C68 H57 Br8 O12 Si8 -","- C64 H52 Br8 O12 Si8 -","- C512 H416 Br64 O96 Si64 -","8","0.5","","Roll, Mark F.; Mathur, Priyanka; Takahashi, Kunio; Kampf, Jeffrey W.; Laine, R. M.","[PhSiO1.5]8 promotes self-bromination to produce [o-BrPhSiO1.5]8: further bromination gives crystalline [2,5-Br2PhSiO1.5]8 with a density of 2.32 g cm−3 and a calculated refractive index of 1.7 or the tetraicosa bromo compound [Br3PhSiO1.5]8","Journal of Materials Chemistry","2011","21","30","11167","","10.1039/c1jm11536g","","","0.71073","MoKα","","0.0626","0.0526","","","0.146","0.153","","","","","","1.089","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00","" "7206454","13.9545","0.0014","7.8076","0.0008","19.5196","0.0019","90","","109.685","0.001","90","","2002.4","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N O2 Pt -","- C26 H19 N O2 Pt -","- C104 H76 N4 O8 Pt4 -","4","1","","Mou, Xin; Wu, Yongquan; Liu, Shujuan; Shi, Mei; Liu, Xiangmei; Wang, Chuanming; Sun, Shi; Zhao, Qiang; Zhou, Xinhui; Huang, Wei","Phosphorescent platinum(ii) complexes containing different β-diketonate ligands: synthesis, tunable excited-state properties, and their application in bioimaging","Journal of Materials Chemistry","2011","21","36","13951","","10.1039/c1jm10718f","","","0.71073","MoKα","","0.052","0.0435","","","0.1018","0.113","","","","","","1.017","","","","has coordinates","180395","2020-10-21","18:00:00","" "7206455","13.0708","0.0013","13.4331","0.0013","26.062","0.003","93.161","0.001","98.284","0.001","117.916","0.001","3961.8","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C86 H118 N2 O12 -","- C86 H118 N2 O12 -","- C172 H236 N4 O24 -","2","1","","Liang, Qing; Chen, Guosong; Guan, Bing; Jiang, Ming","Structural factors of amphiphilic calix[6]biscrowns affecting their vesicle–nanotube transitions in self-assembly","Journal of Materials Chemistry","2011","21","35","13262","","10.1039/c1jm10895f","","","0.71073","MoKα","","0.0752","0.0595","","","0.1791","0.2039","","","","","","1.023","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27","" "7206456","12.992","0.003","13.924","0.003","18.886","0.004","95.33","0.03","91.63","0.03","92.2","0.03","3397.4","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H43 N3 O2 Pd -","- C37 H43 N3 O2 Pd -","- C148 H172 N12 O8 Pd4 -","4","2","","Ghedini, Mauro; Golemme, Attilio; Aiello, Iolinda; Godbert, Nicolas; Termine, Roberto; Crispini, Alessandra; La Deda, Massimo; Lelj, Francesco; Amati, Mario; Belviso, Sandra","Liaisons between photoconductivity and molecular frame in organometallic Pd(ii) and Pt(ii) complexes","Journal of Materials Chemistry","2011","21","35","13434","","10.1039/c1jm11926e","","","0.71073","MoKα","","0.0743","0.04","","","0.0914","0.1013","","","","","","0.897","","","","has coordinates","180395","2020-10-21","18:00:00","" "7206457","12.833","0.007","13.736","0.007","20.058","0.011","101.049","0.011","107.842","0.01","90.996","0.01","3292","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H43 N3 O2 Pt -","- C37 H43 N3 O2 Pt -","- C148 H172 N12 O8 Pt4 -","4","2","","Ghedini, Mauro; Golemme, Attilio; Aiello, Iolinda; Godbert, Nicolas; Termine, Roberto; Crispini, Alessandra; La Deda, Massimo; Lelj, Francesco; Amati, Mario; Belviso, Sandra","Liaisons between photoconductivity and molecular frame in organometallic Pd(ii) and Pt(ii) complexes","Journal of Materials Chemistry","2011","21","35","13434","","10.1039/c1jm11926e","","","0.71073","MoKα","","0.0502","0.0295","","","0.066","0.0766","","","","","","1.031","","","","has coordinates","180395","2020-10-21","18:00:00","" "7206458","5.9863","0.0004","8.2081","0.0007","32.135","0.003","94.509","0.004","92.828","0.004","92.317","0.004","1570.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 N2 O2 Pd -","- C36 H42 N2 O2 Pd -","- C72 H84 N4 O4 Pd2 -","2","1","","Ghedini, Mauro; Golemme, Attilio; Aiello, Iolinda; Godbert, Nicolas; Termine, Roberto; Crispini, Alessandra; La Deda, Massimo; Lelj, Francesco; Amati, Mario; Belviso, Sandra","Liaisons between photoconductivity and molecular frame in organometallic Pd(ii) and Pt(ii) complexes","Journal of Materials Chemistry","2011","21","35","13434","","10.1039/c1jm11926e","","","0.71073","MoKα","","0.0516","0.0366","","","0.0848","0.1014","","","","","","1.154","","","","has coordinates","180395","2020-10-21","18:00:00","" "7206459","6.0027","0.0004","8.1666","0.0005","32.286","0.002","94.534","0.002","93.089","0.002","92.243","0.002","1573.97","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 N2 O2 Pt -","- C36 H42 N2 O2 Pt -","- C72 H84 N4 O4 Pt2 -","2","1","","Ghedini, Mauro; Golemme, Attilio; Aiello, Iolinda; Godbert, Nicolas; Termine, Roberto; Crispini, Alessandra; La Deda, Massimo; Lelj, Francesco; Amati, Mario; Belviso, Sandra","Liaisons between photoconductivity and molecular frame in organometallic Pd(ii) and Pt(ii) complexes","Journal of Materials Chemistry","2011","21","35","13434","","10.1039/c1jm11926e","","","0.71073","MoKα","","0.0342","0.0335","","","0.0695","0.0697","","","","","","1.44","","","","has coordinates","180395","2020-10-21","18:00:00","" "7206460","4.6471","0.0008","20.92","0.003","10.636","0.0018","90","","92.743","0.003","90","","1032.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H4 Br N3 S2 -","- C9 H4 Br N3 S2 -","- C36 H16 Br4 N12 S8 -","4","1","","Welch, Gregory C.; Perez, Louis A.; Hoven, Corey V.; Zhang, Yuan; Dang, Xuan-Dung; Sharenko, Alexander; Toney, Michael F.; Kramer, Edward J.; Nguyen, Thuc-Quyen; Bazan, Guillermo C.","A modular molecular framework for utility in small-molecule solution-processed organic photovoltaic devices","Journal of Materials Chemistry","2011","21","34","12700","","10.1039/c1jm11963j","","","0.71073","MoKα","","0.0703","0.0412","","","0.096","0.1047","","","","","","0.945","","","","has coordinates","301863","2025-08-22","13:07:27","" "7206461","18.817","0.004","7.9805","0.0017","28.301","0.006","90","","107.018","0.003","90","","4063.8","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 N6 S6 Si -","- C42 H44 N6 S6 Si -","- C168 H176 N24 S24 Si4 -","4","1","","Welch, Gregory C.; Perez, Louis A.; Hoven, Corey V.; Zhang, Yuan; Dang, Xuan-Dung; Sharenko, Alexander; Toney, Michael F.; Kramer, Edward J.; Nguyen, Thuc-Quyen; Bazan, Guillermo C.","A modular molecular framework for utility in small-molecule solution-processed organic photovoltaic devices","Journal of Materials Chemistry","2011","21","34","12700","","10.1039/c1jm11963j","","","0.71073","MoKα","","0.137","0.0841","","","0.1942","0.2111","","","","","","1.664","","","","has coordinates","180395","2020-10-21","18:00:00","" "7206462","6.177","0.002","7.001","0.003","28.415","0.01","90","","94.4","0.03","90","","1225.2","0.8","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H10 Cl N O3 -","- C14 H10 Cl N O3 -","- C56 H40 Cl4 N4 O12 -","4","0.5","","Song, Panshu; Chen, Xiaotong; Xiang, Yu; Huang, Lei; Zhou, Zhaojuan; Wei, Ruirui; Tong, Aijun","A ratiometric fluorescent pH probe based on aggregation-induced emission enhancement and its application in live-cell imaging","Journal of Materials Chemistry","2011","21","35","13470","","10.1039/c1jm12098k","","","0.71073","MoKα","","0.1925","0.0808","","","0.1405","0.1787","","","","","","1.093","","","","has coordinates","180395","2020-10-21","18:00:00","" "7206463","12.4255","0.0008","14.4075","0.0008","13.4165","0.0007","90","","107.989","0.001","90","","2284.4","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl F N5 O S -","- C24 H19 Cl F N5 O S -","- C96 H76 Cl4 F4 N20 O4 S4 -","4","1","","Guo, Jixi; Jia, Dianzeng; Liu, Lang; Yuan, Hui; Guo, Mingxi; Wu, Dongling; Li, Feng","Photochromism and mechanism of pyrazolones in crystals: structural variations directly observed by X-ray diffraction","Journal of Materials Chemistry","2011","21","33","12202","","10.1039/c1jm12267c","","","0.71073","MoKα","","0.1091","0.0699","","","0.1843","0.2482","","","","","","1.086","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27","" "7206464","12.4127","0.0016","14.397","0.0018","13.3934","0.0014","90","","108.02","0.002","90","","2276.1","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl F N5 O S -","- C24 H19 Cl F N5 O S -","- C96 H76 Cl4 F4 N20 O4 S4 -","4","1","","Guo, Jixi; Jia, Dianzeng; Liu, Lang; Yuan, Hui; Guo, Mingxi; Wu, Dongling; Li, Feng","Photochromism and mechanism of pyrazolones in crystals: structural variations directly observed by X-ray diffraction","Journal of Materials Chemistry","2011","21","33","12202","","10.1039/c1jm12267c","","","0.71073","MoKα","","0.0949","0.0667","","","0.1948","0.2285","","","","","","1.074","","","","has coordinates","301863","2025-08-22","13:07:27","" "7206471","11.264","0.004","6.189","0.002","17.301","0.006","90","","102.785","0.007","90","","1176.2","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H34 Br N O -","- C27 H34 Br N O -","- C54 H68 Br2 N2 O2 -","2","1","","Sui, Yan; Liu, Dong-Sheng; Hu, Rong-Hua; Chen, Hong-Mei","Discovery of a new type of organic ferroelectric materials in natural biomass dehydroabietylamine Schiff bases","Journal of Materials Chemistry","2011","21","38","14599","","10.1039/c0jm03461d","","","0.71073","MoKα","","0.0875","0.0526","","","0.1142","0.1191","","","","","","1.019","","","","has coordinates","301863","2025-08-22","13:07:27","" "7206472","11.158","0.0017","6.2046","0.001","17.347","0.003","90","","101.49","0.003","90","","1176.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 N2 O3 -","- C27 H34 N2 O3 -","- C54 H68 N4 O6 -","2","1","","Sui, Yan; Liu, Dong-Sheng; Hu, Rong-Hua; Chen, Hong-Mei","Discovery of a new type of organic ferroelectric materials in natural biomass dehydroabietylamine Schiff bases","Journal of Materials Chemistry","2011","21","38","14599","","10.1039/c0jm03461d","","","0.71073","MoKα","","0.1393","0.047","","","0.0867","0.0986","","","","","","0.989","","","","has coordinates","301863","2025-08-22","13:07:27","" "7206584","25.731","0.0016","8.072","0.0007","18.411","0.0016","90","","106.441","0.003","90","","3667.6","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H20 Au N4 -","- C19 H20 Au N4 -","- C152 H160 Au8 N32 -","8","2","","Lacroix, Pascal G.; Munoz, M. Carmen; Gaspar, Ana Belén; Real, José Antonio; Bonhommeau, Sébastien; Rodriguez, Vincent; Nakatani, Keitaro","Synthesis, crystal structures, and solid state quadratic nonlinear optical properties of a series of stilbazolium cations combined with gold cyanide counter-ion","Journal of Materials Chemistry","2011","21","40","15940","","10.1039/c1jm12105g","","","0.71073","MoKα","","0.1041","0.0522","","","0.0911","0.1114","","","","","","1.046","","","","has coordinates","301863","2025-08-22","13:07:27","" "7206585","6.615","0.0003","7.661","0.0003","10.267","0.0006","83.806","0.002","83.545","0.002","77.497","0.003","502.87","0.04","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H23 Au N4 O -","- C21 H22 Au N4 O -","- C21 H22 Au N4 O -","1","1","","Lacroix, Pascal G.; Munoz, M. Carmen; Gaspar, Ana Belén; Real, José Antonio; Bonhommeau, Sébastien; Rodriguez, Vincent; Nakatani, Keitaro","Synthesis, crystal structures, and solid state quadratic nonlinear optical properties of a series of stilbazolium cations combined with gold cyanide counter-ion","Journal of Materials Chemistry","2011","21","40","15940","","10.1039/c1jm12105g","","","0.71073","MoKα","","0.0394","0.036","","","0.0948","0.0981","","","","","","1.017","","","","has coordinates","180396","2020-10-21","18:00:00","" "7206586","6.6997","0.0003","7.3685","0.0004","22.4087","0.0012","90","","93.852","0.005","90","","1103.75","0.1","100","2","100","2","","","","","","","Simon Dalgleish","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N O S2 -","- C12 H9 N O S2 -","- C48 H36 N4 O4 S8 -","4","1","","Dalgleish, Simon; Labram, John G.; Li, Zhe; Wang, Jianpu; McNeill, Christopher R.; Anthopoulos, Thomas D.; Greenham, Neil C.; Robertson, Neil","Indole-substituted nickel dithiolene complexes in electronic and optoelectronic devices","Journal of Materials Chemistry","2011","21","39","15422","","10.1039/c1jm12466h","","","1.5418","CuKα","","0.0772","0.0674","","","0.1751","0.1799","","","","","","1.161","","","","has coordinates","301863","2025-08-22","13:07:27","" "7206587","4.3101","0.00013","15.691","0.0004","21.4795","0.0007","90","","91.526","0.003","90","","1452.14","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N2 Ni S4 -","- C30 H34 N2 Ni S4 -","- C60 H68 N4 Ni2 S8 -","2","0.5","","Dalgleish, Simon; Labram, John G.; Li, Zhe; Wang, Jianpu; McNeill, Christopher R.; Anthopoulos, Thomas D.; Greenham, Neil C.; Robertson, Neil","Indole-substituted nickel dithiolene complexes in electronic and optoelectronic devices","Journal of Materials Chemistry","2011","21","39","15422","","10.1039/c1jm12466h","","","0.71073","MoKα","","0.0592","0.0458","","0.1299","0.1257","0.1299","","","","","","1.0064","","","","has coordinates","176453","2020-10-21","18:00:00","" "7206588","8.22","0.005","8.96","0.007","13.113","0.007","74.48","0.02","75.97","0.02","65.43","0.03","836.8","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H30 B2 N2 O4 -","- C44 H30 B2 N2 O4 -","- C44 H30 B2 N2 O4 -","1","0.5","","Li, Di; Wang, Kai; Huang, Shuo; Qu, Songnan; Liu, Xingyuan; Zhu, Qingxin; Zhang, Hongyu; Wang, Yue","Brightly fluorescent red organic solids bearing boron-bridged π–conjugated skeletons","Journal of Materials Chemistry","2011","21","39","15298","","10.1039/c1jm12498f","","","0.71073","MoKα","","0.1801","0.0786","","","0.1304","0.1631","","","","","","1.015","","","","has coordinates","301863","2025-08-22","13:07:27","" "7206589","9.813","0.007","10.072","0.006","10.185","0.006","85.79","0.02","77.07","0.02","63.68","0.02","879","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H30 B2 N2 O2 S2 -","- C44 H30 B2 N2 O2 S2 -","- C44 H30 B2 N2 O2 S2 -","1","0.5","","Li, Di; Wang, Kai; Huang, Shuo; Qu, Songnan; Liu, Xingyuan; Zhu, Qingxin; Zhang, Hongyu; Wang, Yue","Brightly fluorescent red organic solids bearing boron-bridged π–conjugated skeletons","Journal of Materials Chemistry","2011","21","39","15298","","10.1039/c1jm12498f","","","0.71073","MoKα","","0.1013","0.0549","","","0.1064","0.123","","","","","","1.017","","","","has coordinates","301863","2025-08-22","13:07:27","" "7206590","9.7047","0.0019","29.019","0.006","16.265","0.003","90","","101.76","0.03","90","","4484.4","1.6","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H37 Cl3 Cu F6 N2 O P3 -","- C47 H37 Cl3 Cu F6 N2 O P3 -","- C188 H148 Cl12 Cu4 F24 N8 O4 P12 -","4","1","","Costa, Rubén D.; Tordera, Daniel; Ortí, Enrique; Bolink, Henk J.; Schönle, Jonas; Graber, Stefan; Housecroft, Catherine E.; Constable, Edwin C.; Zampese, Jennifer A.","Copper(i) complexes for sustainable light-emitting electrochemical cells","Journal of Materials Chemistry","2011","21","40","16108","","10.1039/c1jm12607e","","","0.71073","MoKα","","0.0434","0.041","","","0.1094","0.1115","","","","","","1.048","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27","" "7206591","16.487","0.003","11.005","0.002","20.886","0.004","90","","104.93","0.03","90","","3661.6","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cu F6 N2 P3 -","- C40 H32 Cu F6 N2 P3 -","- C160 H128 Cu4 F24 N8 P12 -","4","1","","Costa, Rubén D.; Tordera, Daniel; Ortí, Enrique; Bolink, Henk J.; Schönle, Jonas; Graber, Stefan; Housecroft, Catherine E.; Constable, Edwin C.; Zampese, Jennifer A.","Copper(i) complexes for sustainable light-emitting electrochemical cells","Journal of Materials Chemistry","2011","21","40","16108","","10.1039/c1jm12607e","","","0.71073","MoKα","","0.0448","0.0384","","","0.089","0.0921","","","","","","1.103","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27","" "7206592","13.4327","0.001","25.218","0.002","13.6483","0.0009","90","","105.808","0.005","90","","4448.5","0.6","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H38 Cl2 Cu F6 N2 O P3 -","- C49 H38 Cl2 Cu F6 N2 O P3 -","- C196 H152 Cl8 Cu4 F24 N8 O4 P12 -","4","1","","Costa, Rubén D.; Tordera, Daniel; Ortí, Enrique; Bolink, Henk J.; Schönle, Jonas; Graber, Stefan; Housecroft, Catherine E.; Constable, Edwin C.; Zampese, Jennifer A.","Copper(i) complexes for sustainable light-emitting electrochemical cells","Journal of Materials Chemistry","2011","21","40","16108","","10.1039/c1jm12607e","","","0.71073","MoKα","","0.0381","0.0347","","","0.0817","0.0836","","","","","","1.106","","","","has coordinates,has disorder","301863","2025-08-22","13:07:27","" "7206593","12.4818","0.0015","13.445","0.0015","15.0834","0.0018","86.429","0.009","67.721","0.009","62.963","0.008","2067.6","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H78 Cl2 Cu2 F12 N4 O2 P6 -","- C89 H76 Cl2 Cu2 F12 N4 O2 P6 -","- C89 H76 Cl2 Cu2 F12 N4 O2 P6 -","1","0.5","","Costa, Rubén D.; Tordera, Daniel; Ortí, Enrique; Bolink, Henk J.; Schönle, Jonas; Graber, Stefan; Housecroft, Catherine E.; Constable, Edwin C.; Zampese, Jennifer A.","Copper(i) complexes for sustainable light-emitting electrochemical cells","Journal of Materials Chemistry","2011","21","40","16108","","10.1039/c1jm12607e","","","0.71073","MoKα","","0.0548","0.0511","","","0.1385","0.1409","","","","","","1.114","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00","" "7206594","10.8137","0.0013","19.04","0.002","19.246","0.004","90","","98.338","0.011","90","","3920.7","1","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 Eu2 Mo N12 O17 -","- C25 H42 Eu2 Mo N12 O17 -","- C100 H168 Eu8 Mo4 N48 O68 -","4","1","","Tanase, Stefania; Mittelmeijer-Hazeleger, Marjo C.; Rothenberg, Gadi; Mathonière, Corine; Jubera, Véronique; Smits, Jan M. M.; de Gelder, René","A facile building-block synthesis of multifunctional lanthanide MOFs","Journal of Materials Chemistry","2011","21","39","15544","","10.1039/c1jm12789f","","","0.71073","MoKα","","0.0511","0.0378","","0.0873","0.0813","0.0873","","","1.219","","","1.219","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00","" "7206595","21.6623","0.0019","21.6623","0.0019","21.6623","0.0019","90","","90","","90","","10165.1","1.5","296","2","296","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C30 H18 N3 Ni3 O13 -","- C30 H18 N3 Ni3 O13 -","- C240 H144 N24 Ni24 O104 -","8","0.166667","","Ren, Guojian; Liu, Shuxia; Ma, Fengji; Wei, Feng; Tang, Qun; Yang, Yuan; Liang, Dadong; Li, Shujun; Chen, Yaguang","A 9-connected metal‒organic framework with gas adsorption properties","Journal of Materials Chemistry","2011","21","40","15909","","10.1039/c1jm12834e","","","0.71073","MoKα","","0.0559","0.0388","","","0.058","0.061","","","","","","0.903","","","","has coordinates","180396","2020-10-21","18:00:00","" "7206773","5.5337","0.0012","7.9622","0.0019","16.321","0.003","101.835","0.006","94.236","0.007","93.967","0.006","699.3","0.3","93.1","","93.1","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H10 B F3 N2 O2 -","- C17 H10 B F3 N2 O2 -","- C34 H20 B2 F6 N4 O4 -","2","1","","Nishida, Jun-ichi; Fujita, Tomohiro; Fujisaki, Yoshihide; Tokito, Shizuo; Yamashita, Yoshiro","Diazaboroles with quinone units: hydrogen bonding network and n-type FETs involving a three-coordinate boron atom","Journal of Materials Chemistry","2011","21","41","16442","","10.1039/c1jm12650d","","","0.71075","MoKα","","","0.1265","","","","0.3359","","","","","","1.022","","","","has coordinates","301863","2025-08-22","13:07:28","" "7206774","11.23","0.006","5.578","0.003","11.275","0.006","90","","108.863","0.009","90","","668.3","0.6","396","2","396","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 -","- C20 H18 -","- C40 H36 -","2","0.5","","Li, Jinpeng; Takaishi, Shinya; Fujinuma, Naohiro; Endo, Katsutoshi; Yamashita, Masahiro; Matsuzaki, Hiroyuki; Okamoto, Hiroshi; Sawabe, Kosuke; Takenobu, Taishi; Iwasa, Yoshihiro","Enhancement of luminescence intensity in TMPY/perylene co-single crystals","Journal of Materials Chemistry","2011","21","44","17662","","10.1039/c1jm12977e","","","0.71073","MoKα","","0.0983","0.0585","","","0.1388","0.1576","","","","","","0.968","","","","has coordinates","301863","2025-08-22","13:07:28","" "7206775","11.1814","0.0016","5.6056","0.0008","11.1539","0.0016","90","","109.102","0.003","90","","660.61","0.16","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17.24 -","- C20 H17.244 -","- C40 H34.488 -","2","0.5","","Li, Jinpeng; Takaishi, Shinya; Fujinuma, Naohiro; Endo, Katsutoshi; Yamashita, Masahiro; Matsuzaki, Hiroyuki; Okamoto, Hiroshi; Sawabe, Kosuke; Takenobu, Taishi; Iwasa, Yoshihiro","Enhancement of luminescence intensity in TMPY/perylene co-single crystals","Journal of Materials Chemistry","2011","21","44","17662","","10.1039/c1jm12977e","","","0.71073","MoKα","","0.0909","0.0771","","","0.1806","0.1891","","","","","","1.203","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00","" "7206776","10.9144","0.0009","12.0768","0.001","12.3039","0.001","87.544","0.002","76.692","0.002","78.457","0.002","1546.3","0.2","114","2","114","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H48 N6 O12 Pr2 -","- C78 H48 N6 O12 Pr2 -","- C78 H48 N6 O12 Pr2 -","1","0.5","","Katkova, Marina A.; Pushkarev, Anatoly P.; Balashova, Tatyana V.; Konev, Alexey N.; Fukin, Georgy K.; Ketkov, Sergey Yu.; Bochkarev, Mikhail N.","Near-infrared electroluminescent lanthanide [Pr(iii), Nd(iii), Ho(iii), Er(iii), Tm(iii), and Yb(iii)] N,O-chelated complexes for organic light-emitting devices","Journal of Materials Chemistry","2011","21","41","16611","","10.1039/c1jm13023d","","","0.71073","MoKα","","0.0382","0.0302","","","0.0676","0.0697","","","","","","1.023","","","","has coordinates","301863","2025-08-22","13:07:28","" "7206777","10.897","0.004","12.075","0.004","12.226","0.004","87.938","0.007","76.842","0.006","78.844","0.008","1536.8","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H54 N12 Nd2 O6 -","- C78 H54 N12 Nd2 O6 -","- C78 H54 N12 Nd2 O6 -","1","0.5","","Katkova, Marina A.; Pushkarev, Anatoly P.; Balashova, Tatyana V.; Konev, Alexey N.; Fukin, Georgy K.; Ketkov, Sergey Yu.; Bochkarev, Mikhail N.","Near-infrared electroluminescent lanthanide [Pr(iii), Nd(iii), Ho(iii), Er(iii), Tm(iii), and Yb(iii)] N,O-chelated complexes for organic light-emitting devices","Journal of Materials Chemistry","2011","21","41","16611","","10.1039/c1jm13023d","","","0.71073","MoKα","","0.1161","0.0842","","","0.1981","0.2134","","","","","","1.043","","","","has coordinates","180398","2020-10-21","18:00:00","" "7206778","7.952","0.002","11.127","0.003","11.142","0.003","65.992","0.006","72.469","0.005","79.123","0.006","856.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H56 Cu N6 O2 S2 -","- C28 H56 Cu N6 O2 S2 -","- C28 H56 Cu N6 O2 S2 -","1","0.5","","Abdelhady, Ahmed Lutfi; Ramasamy, Karthik; Malik, Mohammad Azad; O'Brien, Paul; Haigh, Sarah J.; Raftery, James","New routes to copper sulfide nanostructures and thin films","Journal of Materials Chemistry","2011","21","44","17888","","10.1039/c1jm13277f","","","0.71073","MoKα","","0.1681","0.0471","","","0.0682","0.0896","","","","","","0.491","","","","has coordinates","180398","2020-10-21","18:00:00","" "7206779","11.401","0.005","11.288","0.005","17.046","0.007","90","","90.54","0.03","90","","2193.6","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Cl O5 -","- C28 H21 Cl O5 -","- C112 H84 Cl4 O20 -","4","1","","Avó, João; Parola, A. Jorge; Lima, João C.; Pina, Fernando; Cunha-Silva, Luís","Phase transition thermochromism based on C‒H acidity of 4-alkylflavylium compounds in Pluronic F-127","Journal of Materials Chemistry","2011","21","41","16628","","10.1039/c1jm13348a","","","0.71073","MoKα","","0.0873","0.0787","","","0.165","0.168","","","","","","1.307","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00","" "7206780","12.869","0.005","23.643","0.01","24.9","0.011","90","","90","","90","","7576","5","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C12 H10 Cd N4 O4 -","- C12 H10 Cd N4 O4 -","- C192 H160 Cd16 N64 O64 -","16","0.5","","Pachfule, Pradip; Chen, Yifei; Jiang, Jianwen; Banerjee, Rahul","Experimental and computational approach of understanding the gas adsorption in amino functionalized interpenetrated metal organic frameworks (MOFs)","Journal of Materials Chemistry","2011","21","44","17737","","10.1039/c1jm13762j","","","0.71073","MoKα","","0.0682","0.0653","","","0.1824","0.1861","","","","","","1.165","","","","has coordinates","180398","2020-10-21","18:00:00","" "7206781","12.819","0.002","23.058","0.004","23.654","0.004","90","","90","","90","","6992","2","200","2","200","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C12 H10 Co N4 O4 -","- C12 H10 Co N4 O4 -","- C192 H160 Co16 N64 O64 -","16","0.5","","Pachfule, Pradip; Chen, Yifei; Jiang, Jianwen; Banerjee, Rahul","Experimental and computational approach of understanding the gas adsorption in amino functionalized interpenetrated metal organic frameworks (MOFs)","Journal of Materials Chemistry","2011","21","44","17737","","10.1039/c1jm13762j","","","0.71073","MoKα","","0.0437","0.0335","","","0.1087","0.1108","","","","","","1.11","","","","has coordinates","180398","2020-10-21","18:00:00","" "7206782","15.524","0.007","11.032","0.004","15.224","0.007","90","","111.847","0.004","90","","2420","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 B F4 N2 O6 -","- C26 H23 B F4 N2 O5 -","- C104 H92 B4 F16 N8 O20 -","4","1","","Sun, Jian-Ke; Jin, Xu-Hui; Cai, Li-Xuan; Zhang, Jie","Supramolecular isomer-dependent photochromism and emission color tuning of bipyridinium salts","Journal of Materials Chemistry","2011","21","44","17667","","10.1039/c1jm13791c","","","0.71073","MoKα","","0.1056","0.0607","","","0.1166","0.1262","","","","","","1.021","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00","" "7206783","17.481","0.007","12.437","0.005","12.329","0.005","90","","92.152","0.007","90","","2678.6","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 B F4 N2 O7 -","- C26 H27 B F4 N2 O7 -","- C104 H108 B4 F16 N8 O28 -","4","1","","Sun, Jian-Ke; Jin, Xu-Hui; Cai, Li-Xuan; Zhang, Jie","Supramolecular isomer-dependent photochromism and emission color tuning of bipyridinium salts","Journal of Materials Chemistry","2011","21","44","17667","","10.1039/c1jm13791c","","","0.71073","MoKα","","0.0757","0.0576","","","0.0954","0.1027","","","","","","1","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28","" "7206784","11.7534","0.0016","5.5051","0.0008","12.7118","0.0018","90","","103.726","0.001","90","","799","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H12 S3 -","- C20 H12 S3 -","- C40 H24 S6 -","2","1","","Shi, Jianwu; Li, Yabo; Jia, Ming; Xu, Li; Wang, Hua","Organic semiconductors based on annelated β-oligothiophenes and its application for organic field-effect transistors","Journal of Materials Chemistry","2011","21","44","17612","","10.1039/c1jm14383b","","","0.71073","MoKα","","0.0238","0.0224","","","0.0619","0.0633","","","","","","1.019","","","","has coordinates","301863","2025-08-22","13:07:28","" "7206785","7.5473","0.0019","5.8673","0.0015","21.88","0.006","90","","95.38","0.004","90","","964.6","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H16 S3 -","- C24 H16 S3 -","- C48 H32 S6 -","2","1","","Shi, Jianwu; Li, Yabo; Jia, Ming; Xu, Li; Wang, Hua","Organic semiconductors based on annelated β-oligothiophenes and its application for organic field-effect transistors","Journal of Materials Chemistry","2011","21","44","17612","","10.1039/c1jm14383b","","","0.71073","MoKα","","0.0479","0.0445","","","0.1133","0.1156","","","","","","1.05","","","","has coordinates","301863","2025-08-22","13:07:28","" "7206885","13.698","0.005","16.631","0.005","14.562","0.005","90","0.005","95.825","0.005","90","0.005","3300.3","1.9","150","","150","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C53 H28 Cu2 O10 -","- C26.5 H14 Cu O5 -","- C106 H56 Cu4 O20 -","4","1","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril; Moizan-Baslé, Virginie; Ouvry, Jean","A 9,9′-spirobifluorene based Metal‒Organic Framework: synthesis, structure analysis and gas sorption properties","Journal of Materials Chemistry","2011","21","46","18715","","10.1039/c1jm12859k","","","0.71069","MoKα","","0.0789","0.049","","","0.1395","0.1504","","","","","","0.958","","","","has coordinates","180399","2020-10-21","18:00:00","" "7206886","6.77318","0.00008","6.77318","","10.00456","0.0002","90","","90","","120","","397.479","0.009","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","","","- Ba Hf O9 Si3 -","- Ba Hf O9 Si3 -","- Ba2 Hf2 O18 Si6 -","2","0.166667","","Wang, De-Yin; Wu, Yun-Chen; Chen, Teng-Ming","Synthesis, crystal structure, and photoluminescence of a novel blue-green emitting phosphor: BaHfSi3O9:Eu2+","Journal of Materials Chemistry","2011","21","45","18261","","10.1039/c1jm13438h","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.08928","","2.12","","","","","","","has coordinates","180399","2020-10-21","18:00:00","" "7206887","7.554","0.0009","6.4305","0.001","8.6265","0.0011","90","","107.468","0.014","90","","399.72","0.1","123","2","123","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C7 H11 N3 O -","- C7 H11 N3 O -","- C14 H22 N6 O2 -","2","0.5","","Janikowski, Judith; Forsyth, Craig; MacFarlane, Douglas R.; Pringle, Jennifer M.","Novel ionic liquids and plastic crystals utilizing the cyanate anion","Journal of Materials Chemistry","2011","21","48","19219","","10.1039/c1jm14055h","","","0.71073","MoKα","","0.0644","0.0527","","","0.1453","0.1536","","","","","","1.163","","","","has coordinates","301863","2025-08-22","13:07:28","" "7206888","10.844","0.005","10.972","0.005","15.617","0.005","85.742","0.005","82.695","0.005","82.424","0.005","1823.8","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Ni O8.25 P S4 -","- C36 H32 Ni O8.25 P S4 -","- C72 H64 Ni2 O16.5 P2 S8 -","2","1","","Begum, Ameerunisha; Sonkar, Sumit Kumar; Saxena, Manav; Sarkar, Sabyasachi","Nanocomposites of carbon quantum dots‒nickel(ii) dithiolene as nanolights","Journal of Materials Chemistry","2011","21","48","19210","","10.1039/c1jm14073f","","","0.71069","MoKα","","0.2066","0.0999","","","0.2311","0.3109","","","","","","0.939","","","","has coordinates","180399","2020-10-21","18:00:00","" "7206889","10.297","0.001","10.716","0.002","13.955","0.002","72.22","0.01","70.45","0.01","74.13","0.01","1356.3","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H34 F6 Fe N4 O4 P -","- C24 H34 F6 Fe N4 O4 P -","- C48 H68 F12 Fe2 N8 O8 P2 -","2","1","","Tissot, Antoine; Bertoni, Roman; Collet, Eric; Toupet, Loic; Boillot, Marie-Laure","The cooperative spin-state transition of an iron(iii) compound [FeIII(3-MeO-SalEen)2]PF6: thermal- vs. ultra-fast photo-switching","Journal of Materials Chemistry","2011","21","45","18347","","10.1039/c1jm14163e","","","0.71073","MoKα","","0.0925","0.0384","","","0.0679","0.077","","","","","","0.781","","","","has coordinates","301863","2025-08-22","13:07:28","" "7206890","10.314","0.001","10.8755","0.0008","14.027","0.001","74.896","0.006","69.384","0.008","75.921","0.007","1401.6","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H34 F6 Fe N4 O4 P -","- C24 H34 F6 Fe N4 O4 P -","- C48 H68 F12 Fe2 N8 O8 P2 -","2","1","","Tissot, Antoine; Bertoni, Roman; Collet, Eric; Toupet, Loic; Boillot, Marie-Laure","The cooperative spin-state transition of an iron(iii) compound [FeIII(3-MeO-SalEen)2]PF6: thermal- vs. ultra-fast photo-switching","Journal of Materials Chemistry","2011","21","45","18347","","10.1039/c1jm14163e","","","0.71073","MoKα","","0.1168","0.0414","","","0.0834","0.0941","","","","","","0.722","","","","has coordinates","301863","2025-08-22","13:07:28","" "7206891","10.485","0.001","11.015","0.009","14.28","0.01","74.61","0.09","69.29","0.09","75.29","0.07","1463.7","1.9","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H34 F6 Fe N4 O4 P -","- C24 H34 F6 Fe N4 O4 P -","- C48 H68 F12 Fe2 N8 O8 P2 -","2","1","","Tissot, Antoine; Bertoni, Roman; Collet, Eric; Toupet, Loic; Boillot, Marie-Laure","The cooperative spin-state transition of an iron(iii) compound [FeIII(3-MeO-SalEen)2]PF6: thermal- vs. ultra-fast photo-switching","Journal of Materials Chemistry","2011","21","45","18347","","10.1039/c1jm14163e","","","0.71073","MoKα","","0.3536","0.062","","","0.0576","0.0802","","","","","","0.674","","","","has coordinates","301863","2025-08-22","13:07:28","" "7206892","6.8155","0.0014","11.734","0.002","11.551","0.002","90","","103.23","0.03","90","","899.3","0.3","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C9 H8 N2 O4 -","- C9 H7 N2 O4 -","- C36 H28 N8 O16 -","4","1","","Yong, Guo-Ping; Zhang, Yi-Man; She, Wen-Long; Li, Ying-Zhou","Stacking-induced white-light and blue-light phosphorescence from purely organic radical materials","Journal of Materials Chemistry","2011","21","46","18520","","10.1039/c1jm14690d","","","0.71073","MoKα","","0.1529","0.0923","","","0.233","0.2717","","","","","","1.069","","","","has coordinates","180399","2020-10-21","18:00:00","" "7210557","8.92885","0.00003","7.098858","0.00002","9.2593","0.00003","90","","90","","90","","586.897","0.003","293","","","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C2 H3 Al F5 N3 Zn -","- C2 H3 Al F5 N3 Zn -","- C8 H12 Al4 F20 N12 Zn4 -","4","0.25","","Cadiau, Amandine; Martineau, Charlotte; Leblanc, Marc; Maisonneuve, Vincent; Hémon-Ribaud, Annie; Taulelle, Francis; Adil, Karim","ZnAlF5.[TAZ]: an Al fluorinated MOF of MIL-53(Al) topology with cationic {Zn(1,2,4 triazole)}2+ linkers","Journal of Materials Chemistry","2011","21","11","3949","3951","10.1039/c0jm03559a","powder diffraction","","","CuKα","","","","","","","","","3.1162","1.67","","","","","","","has coordinates","180436","2020-10-21","18:00:00","" "7215447","8.9981","0.00024","8.05617","0.00021","11.7678","0.00026","90","","90","","90","","853.05","0.04","298","","298","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- B4 Ca3 D12 O3 -","- B4 Ca3 D12 O3 -","- B16 Ca12 D48 O12 -","4","0.5","","Riktor, M. D.; Filinchuk, Y.; Vajeeston, P.; Bardají, E. G.; Fichtner, M.; Fjellvåg, H.; Sørby, M. H.; Hauback, B. C.","The crystal structure of the first borohydride borate, Ca3(BD4)3(BO3)","Journal of Materials Chemistry","2011","21","20","7188","","10.1039/c1jm00074h","powder diffraction","","","","","","","","","","","","","72.44","","","","","","","has coordinates","301864","2025-08-22","15:14:34","" "7222852","8.436","","8.436","","16.535","","90","","90","","90","","1176.73","","","","","","","","","","","","","2","P 4/n c c :1","P 4ab 2n -1ab","130","","","","- Ba5 Si3 -","- Ba5 Si3 -","- Ba20 Si12 -","4","0.25","","Janzon, K.H.; Schaefer, H.; Weiss, A.","Die Kristallstruktur der Phase Ba5 Si3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1966","21","","287","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "7222963","7.14","","8.99","","12.165","","90","","96.3","","90","","776.139","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Pd (N S3)2","","- N2 Pd S6 -","- N2 Pd S6 -","- N8 Pd4 S24 -","4","1","","Weiss, J.; Neubert, H.S.","Zur Kenntnis der Metall-Schwefelstickstoff-Verbindungen IV. Die Struktur von (Pd (N S3)2)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1966","21","","286","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7231067","7.5056","0.0003","25.0862","0.0009","15.2376","0.0006","90","","93.195","0.002","90","","2864.58","0.19","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 N11 O7 -","- C26 H37 N11 O7 -","- C104 H148 N44 O28 -","4","1","","Hasa, Dritan; Pastore, Mariana; Arhangelskis, Mihails; Gabriele, Benjamin; Cruz-Cabeza, Aurora J.; Rauber, Gabriela Schneider; Bond, Andrew D.; Jones, William","On the kinetics of solvate formation through mechanochemistry","CrystEngComm","2019","21","13","2097","","10.1039/C8CE00871J","","","1.54178","CuKα","","0.0471","0.0414","","","0.1073","0.111","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:17","" "7231068","6.6482","0.0003","8.7311","0.0004","10.9852","0.0005","82.631","0.002","84.273","0.002","83.701","0.003","626.18","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N5 O3 -","- C11 H15 N5 O3 -","- C22 H30 N10 O6 -","2","1","","Hasa, Dritan; Pastore, Mariana; Arhangelskis, Mihails; Gabriele, Benjamin; Cruz-Cabeza, Aurora J.; Rauber, Gabriela Schneider; Bond, Andrew D.; Jones, William","On the kinetics of solvate formation through mechanochemistry","CrystEngComm","2019","21","13","2097","","10.1039/C8CE00871J","","","1.54178","CuKα","","0.0434","0.0351","","","0.0855","0.0896","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:17","" "7231305","7.2851","0.0014","9.0281","0.0017","38.51","0.007","90","","95.23","0.003","90","","2522.3","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Indapamide-4,4'-Bipyridine cocrystal","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-4-pyridin-4-ylpyridine","","- C26 H24 Cl N5 O3 S -","- C26 H24 Cl N5 O3 S -","- C104 H96 Cl4 N20 O12 S4 -","4","1","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.0477","0.042","","","0.1073","0.1109","","","","","","1.087","","","","has coordinates","301866","2025-08-22","21:38:17","" "7231306","7.3151","0.0002","8.937","0.0003","38.9526","0.0012","90","","93.702","0.002","90","","2541.21","0.14","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Indapamide-2,2'-Bipyridine cocrystal","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-2-pyridin-2-ylpyridine","","- C26 H24 Cl N5 O3 S -","- C26 H24 Cl N5 O3 S -","- C104 H96 Cl4 N20 O12 S4 -","4","1","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.1741","0.0798","","","0.1289","0.1536","","","","","","1.089","","","","has coordinates","301866","2025-08-22","21:38:17","" "7231307","7.765","0.007","8.741","0.008","34.52","0.03","90","","93.96","0.04","90","","2337","4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Indapamide-methylpyridone cocrystal","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-6-methyl-2-pyridone","","- C22 H23 Cl N4 O4 S -","- C22 H23 Cl N4 O4 S -","- C88 H92 Cl4 N16 O16 S4 -","4","1","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.0785","0.0606","","","0.1354","0.1436","","","","","","1.102","","","","has coordinates","301866","2025-08-22","21:38:17","" "7231308","7.1759","0.0003","9.4074","0.0004","39.0523","0.0017","90","","93.389","0.002","90","","2631.68","0.19","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Indapamide-Phenazine cocrystal","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-phenazine","","- C28 H24 Cl N5 O3 S -","- C28 H24 Cl N5 O3 S -","- C112 H96 Cl4 N20 O12 S4 -","4","1","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.0583","0.0531","","","0.1255","0.1282","","","","","","1.14","","","","has coordinates","301866","2025-08-22","21:38:17","" "7231309","12.2238","0.0002","14.8267","0.0003","16.2328","0.0003","93.228","0.001","107.264","0.001","90.122","0.001","2804.46","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Indapamide-1,2-Bis(4-pyridyl)ethylene cocrystal monohydrate","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-4-[(E)-2-pyridin-4-ylethenyl]pyridine-hydrate","","- C28 H28 Cl N5 O4 S -","- C28 H28 Cl N5 O4 S -","- C112 H112 Cl4 N20 O16 S4 -","4","2","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.1217","0.0717","","","0.1596","0.1793","","","","","","1.103","","","","has coordinates","301866","2025-08-22","21:38:17","" "7231360","10.4993","0.0005","16.0117","0.0008","25.1481","0.0012","90","","90","","90","","4227.7","0.4","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SMT-SAC salt","","","- C19 H19 N5 O5 S2 -","- C19 H19 N5 O5 S2 -","- C152 H152 N40 O40 S16 -","8","1","","Perumalla, Sathyanarayana Reddy; Wang, Chenguang; Guo, Yiwang; Shi, Limin; Sun, Changquan Calvin","Robust bulk preparation and characterization of sulfamethazine and saccharine salt and cocrystal polymorphs","CrystEngComm","2019","21","13","2089","","10.1039/C8CE01076E","","","1.54178","CuKα","","0.0338","0.0335","","","0.0874","0.0877","","","","","","1.084","","","","has coordinates","301866","2025-08-22","21:38:18","" "7231361","8.0291","0.0002","17.5002","0.0004","14.6076","0.0003","90","","107.827","0.001","90","","1953.97","0.08","128","2","128","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N5 O5 S2 -","- C19 H19 N5 O5 S2 -","- C76 H76 N20 O20 S8 -","4","1","","Perumalla, Sathyanarayana Reddy; Wang, Chenguang; Guo, Yiwang; Shi, Limin; Sun, Changquan Calvin","Robust bulk preparation and characterization of sulfamethazine and saccharine salt and cocrystal polymorphs","CrystEngComm","2019","21","13","2089","","10.1039/C8CE01076E","","","1.54178","CuKα","","0.0541","0.043","","","0.0996","0.105","","","","","","1.083","","","","has coordinates","301866","2025-08-22","21:38:18","" "7231714","8.9461","0.0006","16.1753","0.001","20.8774","0.0017","90","","100.396","0.008","90","","2971.5","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Br2 Cl2 N6 O2 -","- C52 H88 Br2 Cl2 N6 O2 -","- C104 H176 Br4 Cl4 N12 O4 -","2","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1252","0.0655","","","0.1767","0.2168","","","","","","1.119","","","","has coordinates","301866","2025-08-22","21:38:22","" "7231715","18.1061","0.0011","13.5141","0.0007","17.5192","0.0009","90","","111.113","0.006","90","","3999","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H104 Cl4 N10 O8 S -","- C72 H104 Cl4 N10 O8 S -","- C144 H208 Cl8 N20 O16 S2 -","2","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1186","0.0683","","","0.1422","0.1716","","","","","","1.082","","","","has coordinates","223518","2020-10-21","18:00:00","" "7231716","9.0143","0.0006","15.6469","0.0017","21.0997","0.0015","90","","98.821","0.007","90","","2940.8","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Br2 Cl2 N6 O2 -","- C52 H88 Br2 Cl2 N6 O2 -","- C104 H176 Br4 Cl4 N12 O4 -","2","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.21","0.0818","","","0.185","0.2331","","","","","","1.154","","","","has coordinates","301866","2025-08-22","21:38:22","" "7231717","13.2635","0.0009","16.5661","0.0012","28.231","0.003","90","","93.852","0.007","90","","6189","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H94 Br2 N6 O6 -","- C56 H94 Br2 N6 O6 -","- C224 H376 Br8 N24 O24 -","4","1","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.2285","0.0743","","","0.156","0.2268","","","","","","1","","","","has coordinates","223518","2020-10-21","18:00:00","" "7231718","13.2862","0.0006","16.574","0.0008","28.0803","0.0013","90","","93.874","0.005","90","","6169.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H94 Cl2 N6 O6 -","- C56 H94 Cl2 N6 O6 -","- C224 H376 Cl8 N24 O24 -","4","1","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1521","0.0797","","","0.1791","0.2165","","","","","","1.179","","","","has coordinates","223518","2020-10-21","18:00:00","" "7231719","8.4539","0.0007","10.2145","0.0008","18.1488","0.0015","92.095","0.007","99.967","0.007","107.977","0.007","1461.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H90 Cl2 N6 O8 -","- C54 H90 Cl2 N6 O8 -","- C54 H90 Cl2 N6 O8 -","1","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1558","0.0853","","","0.2052","0.2478","","","","","","0.978","","","","has coordinates,has disorder","223518","2020-10-21","18:00:00","" "7231720","8.9473","0.0016","16.101","0.004","21.153","0.004","90","","100.9","0.02","90","","2992.3","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Br4 N6 O2 -","- C52 H88 Br4 N6 O2 -","- C104 H176 Br8 N12 O4 -","2","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1625","0.0777","","","0.1773","0.2301","","","","","","1.183","","","","has coordinates","301866","2025-08-22","21:38:22","" "7231721","8.2364","0.0009","10.9069","0.0014","20.0064","0.0017","85.053","0.008","79.089","0.008","81.371","0.01","1741.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H104 Br2 N8 O12 S2 -","- C58 H104 Br2 N8 O12 S2 -","- C58 H104 Br2 N8 O12 S2 -","1","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.2318","0.0922","","","0.1801","0.2317","","","","","","1.148","","","","has coordinates","301866","2025-08-22","21:38:22","" "7231722","8.4459","0.0005","11.6202","0.001","15.6367","0.0011","82.597","0.007","83.548","0.005","86.964","0.006","1511.05","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H92 Cl2 N6 O10 P2 -","- C52 H92 Cl2 N6 O10 P2 -","- C52 H92 Cl2 N6 O10 P2 -","1","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.0958","0.064","","","0.1684","0.2022","","","","","","0.871","","","","has coordinates","301866","2025-08-22","21:38:22","" "7231736","28.861","0.006","9.191","0.002","17.149","0.003","90","","111.76","0.03","90","","4224.8","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Hg N6 O S2 -","- C20 H14 Hg N6 O S2 -","- C160 H112 Hg8 N48 O8 S16 -","8","1","","Mahmoudi, Ghodrat; Khandar, Ali Akbar; Afkhami, Farhad Akbari; Miroslaw, Barbara; Gurbanov, Atash V.; Zubkov, Fedor I.; Kennedy, Alan; Franconetti, Antonio; Frontera, Antonio","Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer","CrystEngComm","2019","21","1","108","","10.1039/C8CE01580E","","","0.71073","MoKα","","0.0561","0.0366","","","0.083","0.088","","","","","","0.8291","","","","has coordinates","223522","2020-10-21","18:00:00","" "7231737","12.9176","0.0003","7.7756","0.0002","17.4321","0.0004","90","","93.026","0.001","90","","1748.48","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Hg N6 O S2 -","- C15 H12 Hg N6 O S2 -","- C60 H48 Hg4 N24 O4 S8 -","4","1","","Mahmoudi, Ghodrat; Khandar, Ali Akbar; Afkhami, Farhad Akbari; Miroslaw, Barbara; Gurbanov, Atash V.; Zubkov, Fedor I.; Kennedy, Alan; Franconetti, Antonio; Frontera, Antonio","Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer","CrystEngComm","2019","21","1","108","","10.1039/C8CE01580E","","","0.71073","MoKα","","0.046","0.0256","","","0.0441","0.0497","","","","","","0.9895","","","","has coordinates","223522","2020-10-21","18:00:00","" "7231754","7.309","0.011","16.54","0.02","6.169","0.009","90","","108.823","0.015","90","","705.9","1.7","159","2","159","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 O2 -","- C6 H12 O2 -","- C24 H48 O8 -","4","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1615","0.1024","","","0.2479","0.2717","","","","","","1.232","","","","has coordinates","301866","2025-08-22","21:38:22","" "7231755","5.568","0.0016","7.214","0.002","31.782","0.009","89.956","0.006","85.324","0.004","89.866","0.004","1272.4","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","2","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.0791","0.0548","","","0.1456","0.159","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:22","" "7231756","50.25","0.03","7.055","0.004","5.609","0.003","90","","90","","90","","1988","2","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C9 H18 O2 -","- C9 H18 O2 -","- C72 H144 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1042","0.0948","","","0.2464","0.2505","","","","","","1.143","","","","has coordinates","301866","2025-08-22","21:38:22","" "7231757","5.565","0.003","7.183","0.004","27.043","0.014","90.145","0.007","91.445","0.007","90.099","0.007","1080.7","1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H20 O2 -","- C10 H20 O2 -","- C40 H80 O8 -","4","2","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1693","0.0725","","","0.1684","0.2063","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:22","" "7231758","9.173","0.003","5.6554","0.0017","17.357","0.005","90","","104.928","0.003","90","","870","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 O2 -","- C8 H16 O2 -","- C32 H64 O8 -","4","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.0546","0.0441","","","0.1114","0.1192","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:22","" "7231759","67.94","0.006","7.1161","0.0006","5.5638","0.0005","90","","90","","90","","2689.9","0.4","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C13 H26 O2 -","- C13 H26 O2 -","- C104 H208 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1383","0.0973","","","0.2764","0.2967","","","","","","1.09","","","","has coordinates","301866","2025-08-22","21:38:22","" "7231760","38.19","0.02","4.088","0.002","9.951","0.005","90","","90.206","0.01","90","","1553.5","1.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C7 H14 O2 -","- C7 H14 O2 -","- C56 H112 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.0937","0.0841","","","0.2448","0.2534","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:22","" "7231761","5.5474","0.0007","7.1923","0.0009","36.076","0.005","89.983","0.003","89.626","0.004","89.903","0.003","1439.3","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H28 O2 -","- C14 H28 O2 -","- C56 H112 O8 -","4","2","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1574","0.1012","","","0.2479","0.2778","","","","","","1.082","","","","has coordinates","301866","2025-08-22","21:38:22","" "7231762","58.86","0.02","7.1","0.003","5.574","0.002","90","","90","","90","","2329.4","1.5","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H22 O2 -","- C11 H22 O2 -","- C88 H176 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1867","0.1548","","","0.4634","0.4772","","","","","","1.861","","","","has coordinates","301866","2025-08-22","21:38:22","" "7231776","12.4333","0.0004","12.6007","0.0004","19.7636","0.0007","71.573","0.001","75.384","0.001","73.429","0.001","2770.42","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H71 B10 Cl12 N2 O0 -","- C33 H71 B10 Cl12 N2 -","- C66 H142 B20 Cl24 N4 -","2","1","","Warneke, Jonas; Konieczka, Szymon Z.; Hou, Gao-Lei; Aprà, Edoardo; Kerpen, Christoph; Keppner, Fabian; Schäfer, Thomas C; Deckert, Michael; Yang, Zheng; Bylaska, Eric J.; Johnson, Grant E.; Laskin, Julia; Xantheas, Sotiris S.; Wang, Xue-Bin; Finze, Maik","Properties of perhalogenated {closo-B10} and {closo-B11} multiply charged anions and a critical comparison with {closo-B12} in the gas and the condensed phase.","Physical chemistry chemical physics : PCCP","2019","21","11","5903","5915","10.1039/c8cp05313h","","","0.71073","MoKα","","0.0923","0.0704","","","0.1373","0.1506","","","","","","0.903","","","","has coordinates,has disorder","225331","2020-10-21","18:00:00","" "7231777","12.1542","0.0008","20.4092","0.0014","23.6086","0.0016","65.996","0.001","76.12","0.001","77.167","0.001","5142.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H155 B22 Cl17 N4 O -","- C67 H155 B22 Cl17 N4 O -","- C134 H310 B44 Cl34 N8 O2 -","2","1","","Warneke, Jonas; Konieczka, Szymon Z.; Hou, Gao-Lei; Aprà, Edoardo; Kerpen, Christoph; Keppner, Fabian; Schäfer, Thomas C; Deckert, Michael; Yang, Zheng; Bylaska, Eric J.; Johnson, Grant E.; Laskin, Julia; Xantheas, Sotiris S.; Wang, Xue-Bin; Finze, Maik","Properties of perhalogenated {closo-B10} and {closo-B11} multiply charged anions and a critical comparison with {closo-B12} in the gas and the condensed phase.","Physical chemistry chemical physics : PCCP","2019","21","11","5903","5915","10.1039/c8cp05313h","","","0.71073","MoKα","","0.1099","0.0688","","","0.1514","0.1635","","","","","","1.146","","","","has coordinates,has disorder","225331","2020-10-21","18:00:00","" "7231779","24.47","0.02","24.029","0.017","17.149","0.012","90","","90.869","0.018","90","","10082","13","292","2","292","","","","","","","","","4","C 1 2/m 1","-C 2y","12","WUF-19","","","- C48 H31 O13.5 Zn4 -","- C48 H31 O13.5 Zn4 -","- C192 H124 O54 Zn16 -","4","0.5","","Bryant, Macguire R.; Ablott, Timothy A.; Telfer, Shane G.; Liu, Lujia; Richardson, Christopher","High temperature expulsion of thermolabile groups for pore-space expansion in metal‒organic frameworks","CrystEngComm","2019","21","1","60","","10.1039/C8CE01740A","","","1.54178","CuKα","","0.237","0.181","","","0.4599","0.4986","","","","","","2.771","","","","has coordinates,has disorder","223520","2020-10-21","18:00:00","" "7231792","5.06","0.006","6.392","0.008","15.823","0.018","87.32","0.04","83.9","0.04","71.23","0.02","481.8","1","566","2","566","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 F N2 O5 -","- C7 H10 F N2 O5 -","- C14 H20 F2 N4 O10 -","2","1","","Enkelmann, Dennis D.; Handelmann, Jens; Schauerte, Carsten; Merz, Klaus","Co-crystallization and polymorphic behaviour of 5-fluorouracil","CrystEngComm","2019","21","13","2130","","10.1039/C8CE01692E","","","0.71073","MoKα","","0.0582","0.0489","","","0.1351","0.1434","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:22","" "7231793","5.443","0.009","5.845","0.009","14.47","0.02","92.228","0.018","94.392","0.009","110.98","0.03","427.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 F N2 O5 -","- C6 H8 F N2 O5 -","- C12 H16 F2 N4 O10 -","2","1","","Enkelmann, Dennis D.; Handelmann, Jens; Schauerte, Carsten; Merz, Klaus","Co-crystallization and polymorphic behaviour of 5-fluorouracil","CrystEngComm","2019","21","13","2130","","10.1039/C8CE01692E","","","0.71075","MoKα","","0.0744","0.0521","","","0.1386","0.1537","","","","","","0.956","","","","has coordinates","301866","2025-08-22","21:38:22","" "7231794","13.215","0.005","10.327","0.005","16.162","0.005","90","0.005","93.56","0.005","90","0.005","2201.4","1.5","296","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N4 O3 -","- C23 H28 N4 O3 -","- C92 H112 N16 O12 -","4","1","","Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang","Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence","CrystEngComm","2019","21","1","94","","10.1039/C8CE01747F","","","0.71069","MoKα","","0.0636","0.0471","","","0.1211","0.1356","","","","","","0.993","","","","has coordinates","301866","2025-08-22","21:38:22","" "7231795","20.941","0.005","11.461","0.005","22.337","0.005","90","0.005","107.49","0.005","90","0.005","5113","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H56 N10 S4 Zn -","- C50 H56 N10 S4 Zn -","- C200 H224 N40 S16 Zn4 -","4","0.5","","Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang","Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence","CrystEngComm","2019","21","1","94","","10.1039/C8CE01747F","","","0.71069","MoKα","","0.0911","0.0457","","","0.108","0.1298","","","","","","0.991","","","","has coordinates","301866","2025-08-22","21:38:22","" "7231796","11.226","0.005","11.535","0.005","11.969","0.005","108.012","0.005","100.682","0.005","90.099","0.005","1445.5","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 Hg N6 S3 -","- C26 H27 Hg N6 S3 -","- C52 H54 Hg2 N12 S6 -","2","1","","Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang","Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence","CrystEngComm","2019","21","1","94","","10.1039/C8CE01747F","","","0.71069","MoKα","","0.0457","0.0308","","","0.0752","0.0834","","","","","","1.035","","","","has coordinates","223519","2020-10-21","18:00:00","" "7231834","15.407","0.002","5.8843","0.0006","15.664","0.002","90","","114.753","0.018","90","","1289.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N3 O6 -","- C26 H33 N3 O6 -","- C52 H66 N6 O12 -","2","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Unique crystallographic signatures of Boc-Gly-Phe-Phe-OMe and Boc-Gly-Phg-Phe-OMe and their self-association","CrystEngComm","2019","21","2","236","","10.1039/C8CE01723A","","","0.71073","MoKα","","0.1038","0.0721","","","0.1949","0.2202","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231835","4.96731","0.00012","19.4022","0.0005","12.4703","0.0003","90","","92.486","0.003","90","","1200.72","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 N3 O6 -","- C25 H31 N3 O6 -","- C50 H62 N6 O12 -","2","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Unique crystallographic signatures of Boc-Gly-Phe-Phe-OMe and Boc-Gly-Phg-Phe-OMe and their self-association","CrystEngComm","2019","21","2","236","","10.1039/C8CE01723A","","","0.71073","MoKα","","0.0377","0.0346","","","0.0996","0.1048","","","","","","0.608","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231836","19.4892","0.0005","21.6795","0.0005","10.5043","0.0003","90","","90","","90","","4438.2","0.2","100","2","100.03","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C28 H18 N4 O5 -","- C28 H18 N4 O5 -","- C224 H144 N32 O40 -","8","1","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","1.54178","CuKα","","0.0404","0.0379","","","0.1018","0.1043","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231837","11.1935","0.0006","9.2331","0.0005","16.7061","0.0008","90","","94.587","0.002","90","","1721.06","0.15","100","2","99.99","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C35 H34 Cl2 N4 O7 Zn -","- C35 H34 Cl2 N4 O7 Zn -","- C70 H68 Cl4 N8 O14 Zn2 -","2","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","x-ray","0.71073","MoKα","","0.0363","0.027","","","0.0734","0.0785","","","","","","1.059","","","","has coordinates,has disorder","223590","2020-10-21","18:00:00","" "7231838","9.8295","0.0005","10.6901","0.0005","13.3737","0.0007","98.589","0.002","94.244","0.002","97.801","0.002","1370.28","0.12","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Cl4 N4 O6 Zn -","- C26 H22 Cl4 N4 O6 Zn -","- C52 H44 Cl8 N8 O12 Zn2 -","2","1","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","0.71073","MoKα","","0.1146","0.0472","","","0.08","0.0946","","","","","","0.988","","","","has coordinates,has disorder","223590","2020-10-21","18:00:00","" "7231839","4.9197","0.0009","9.297","0.002","12.906","0.003","109.588","0.015","98.253","0.015","91.039","0.016","549","0.2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Cl2 N4 O4 -","- C26 H18 Cl2 N4 O4 -","- C26 H18 Cl2 N4 O4 -","1","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","1.54178","CuKα","","0.1767","0.0819","","","0.1742","0.2223","","","","","","0.964","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231840","10.8226","0.0004","23.0562","0.0008","10.5332","0.0003","90","","90","","90","","2628.33","0.15","100","2","100.01","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C28 H19 Cl2 N5 O4 Zn -","- C28 H19 Cl2 N5 O4 Zn -","- C112 H76 Cl8 N20 O16 Zn4 -","4","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","0.71073","MoKα","","0.0425","0.0351","","","0.0772","0.0794","","","","","","1.198","","","","has coordinates,has disorder","223590","2020-10-21","18:00:00","" "7231841","8.6209","0.0004","17.8581","0.0007","8.0036","0.0003","90","","90.903","0.003","90","","1232.02","0.09","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Ag F6 N4 O4 Sb -","- C26 H16 Ag F6 N4 O4 Sb -","- C52 H32 Ag2 F12 N8 O8 Sb2 -","2","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","1.54178","CuKα","","0.0482","0.0362","","","0.0957","0.1055","","","","","","1.036","","","","has coordinates","223590","2020-10-21","18:00:00","" "7231842","11.978","0.003","14.504","0.003","28.647","0.007","90","","90","","90","","4977","2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H43 N5 O24 Pr2 -","- C36 H28 N4 O22 Pr2 -","- C144 H112 N16 O88 Pr8 -","4","0.5","","Huang, Hong; Gao, Wei; Zhang, Xiu-Mei; Zhou, Ai-Mei; Liu, Jie-Ping","3D LnIII-MOFs: displaying slow magnetic relaxation and highly sensitive luminescence sensing of alkylamines","CrystEngComm","2019","21","4","694","","10.1039/C8CE01762J","","","0.71073","MoKα","","0.0556","0.0457","","","0.1448","0.1545","","","","","","1.05","","","","has coordinates","223575","2020-10-21","18:00:00","" "7231843","12.0109","0.0011","14.1322","0.0012","28.639","0.003","90","","90","","90","","4861.2","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H43 Dy2 N5 O24 -","- C36 H30 Dy2 N4 O22 -","- C144 H120 Dy8 N16 O88 -","4","0.5","","Huang, Hong; Gao, Wei; Zhang, Xiu-Mei; Zhou, Ai-Mei; Liu, Jie-Ping","3D LnIII-MOFs: displaying slow magnetic relaxation and highly sensitive luminescence sensing of alkylamines","CrystEngComm","2019","21","4","694","","10.1039/C8CE01762J","","","0.71073","MoKα","","0.0626","0.0453","","","0.1252","0.1334","","","","","","1.002","","","","has coordinates","223575","2020-10-21","18:00:00","" "7231844","21.805","0.0006","12.6126","0.0004","16.2518","0.0005","90","","107.833","0.001","90","","4254.8","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 Cl4 Cu Na O6 S4 -","- C36 H52 Cl4 Cu Na O6 S4 -","- C144 H208 Cl16 Cu4 Na4 O24 S16 -","4","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","","","0.0437","0.0344","","","0.0913","0.1087","","","","","","1.1","","","","has coordinates","223600","2020-10-21","18:00:00","" "7231845","7.8265","0.0011","13.197","0.0014","44.68","0.007","90","","92.759","0.005","90","","4609.5","1.1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","AG35_LT","","","- C68 H46 Cl16 Cu8 N10 S16 -","- C68 H46 Cl16 Cu8 N10 S16 -","- C136 H92 Cl32 Cu16 N20 S32 -","2","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","MoKα","","0.0942","0.0496","","","0.1128","0.1558","","","","","","1.051","","","","has coordinates","223600","2020-10-21","18:00:00","" "7231846","26.295","0.004","3.9413","0.0007","17.479","0.003","90","","102.299","0.006","90","","1769.9","0.5","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","AG27","","","- C12 H4 Cl4 Cu O Rb S4 -","- C12 H4 Cl4 Cu O Rb S4 -","- C48 H16 Cl16 Cu4 O4 Rb4 S16 -","4","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","MoKα","","0.0987","0.0424","","","0.0966","0.1501","","","","","","1.09","","","","has coordinates,has disorder","223600","2020-10-21","18:00:00","" "7231847","26.2707","0.001","3.9461","0.0002","17.367","0.0007","90","","102.37","0.002","90","","1758.58","0.13","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","AG18_LT","","","- C12 H4 Cl4 Cu K O S4 -","- C12 H4 Cl4 Cu K O S4 -","- C48 H16 Cl16 Cu4 K4 O4 S16 -","4","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","MoKα","","0.0592","0.0403","","","0.105","0.1366","","","","","","1.12","","","","has coordinates","223600","2020-10-21","18:00:00","" "7231848","12.2137","0.0004","12.4992","0.0005","15.7574","0.0005","90","","109.812","0.002","90","","2263.16","0.14","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Cl4 Cu K O6 S4 -","- C36 H52 Cl4 Cu K O6 S4 -","- C72 H104 Cl8 Cu2 K2 O12 S8 -","2","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","","","0.0955","0.0552","","","0.1588","0.2052","","","","","","1.047","","","","has coordinates","223600","2020-10-21","18:00:00","" "7231864","14.03","0.003","11.502","0.002","17.598","0.004","90","","102.18","0.03","90","","2775.9","1","153","2","153","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- Al13 H53 O67 S3 -","- Al13 H25 O68 S3 -","- Al26 H50 O136 S6 -","2","1","","An, Guangyu; Jiang, Yuqian; Xi, Jinyang; Liu, Libing; Wang, Pin; Xiao, Feng; Wang, Dongsheng","Crystallization of aluminum polycation sulfates: transformation of tetrahedral crystals into block crystals in aqueous solutions","CrystEngComm","2019","21","2","202","","10.1039/C8CE01571F","","","0.71073","MoKα","","0.1585","0.127","","","0.2529","0.2845","","","","","","1.14","","","","has coordinates","223589","2020-10-21","18:00:00","" "7231865","17.779","0.002","17.779","0.002","17.779","0.002","90","","90","","90","","5619.8","1.1","153","2","153","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- Al13 H12 Na O70 S4 -","- Al13 H24 Na O70.0004 S4 -","- Al52 H96 Na4 O280.002 S16 -","4","0.0416667","","An, Guangyu; Jiang, Yuqian; Xi, Jinyang; Liu, Libing; Wang, Pin; Xiao, Feng; Wang, Dongsheng","Crystallization of aluminum polycation sulfates: transformation of tetrahedral crystals into block crystals in aqueous solutions","CrystEngComm","2019","21","2","202","","10.1039/C8CE01571F","","","0.71073","MoKα","","0.1148","0.1096","","","0.2274","0.2358","","","","","","1.321","","","","has coordinates","223589","2020-10-21","18:00:00","" "7231881","10.593","0.0004","15.5318","0.0008","21.2702","0.0009","71.268","0.004","79.79","0.003","85.077","0.004","3260.1","0.3","100","0.4","100","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C61 H25 Eu2 N O20 -","- C61 H25 Eu2 N O20 -","- C122 H50 Eu4 N2 O40 -","2","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun","A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules","CrystEngComm","2019","21","2","321","","10.1039/C8CE01875H","","","1.54184","CuKα","","0.0497","0.0433","","","0.1179","0.122","","","","","","1.103","","","","has coordinates","223592","2020-10-21","18:00:00","" "7231882","10.5886","0.0003","15.1959","0.0006","21.2747","0.0008","71.86","0.003","79.293","0.003","82.292","0.003","3185.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H30 N O20 Tb2 -","- C61 H30 N O20 Tb2 -","- C122 H60 N2 O40 Tb4 -","2","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun","A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules","CrystEngComm","2019","21","2","321","","10.1039/C8CE01875H","","","1.54184","CuKα","","0.0467","0.0382","","","0.1007","0.1055","","","","","","1.056","","","","has coordinates","223592","2020-10-21","18:00:00","" "7231883","10.5924","0.0002","15.1775","0.0005","21.2599","0.0006","71.994","0.003","79.331","0.002","82.276","0.002","3183.38","0.16","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C61 H25 Dy2 N O20 -","- C61 H25 Dy2 N O20 -","- C122 H50 Dy4 N2 O40 -","2","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun","A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules","CrystEngComm","2019","21","2","321","","10.1039/C8CE01875H","","","1.54184","CuKα","","0.058","0.0493","","","0.1351","0.1423","","","","","","1.053","","","","has coordinates","223592","2020-10-21","18:00:00","" "7231884","10.604","0.0003","15.2602","0.0006","21.269","0.0008","71.882","0.004","79.392","0.003","82.535","0.003","3205.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H25 Gd2 N4 O22 -","- C61 H25 Gd2 N O20 -","- C122 H50 Gd4 N2 O40 -","2","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun","A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules","CrystEngComm","2019","21","2","321","","10.1039/C8CE01875H","","","1.54184","CuKα","","0.1066","0.0817","","","0.2342","0.2543","","","","","","1.105","","","","has coordinates","223592","2020-10-21","18:00:00","" "7231885","14.8162","0.0009","14.5193","0.0009","16.0799","0.001","90","","109.266","0.001","90","","3265.4","0.3","296","2","296","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C6 H35 Ca0 Cu Mo5 N6 O28.5 P2 -","- C6 H24 Cu Mo5 N6 O28.5 P2 -","- C24 H96 Cu4 Mo20 N24 O114 P8 -","4","1","","Ma, Xiang; Zhang, Chao; Hua, Jiai; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A binuclear copper-substituted phosphomolybdate with reactive oxygen species catalytic ability and antimicrobial activity","CrystEngComm","2019","21","3","394","","10.1039/C8CE01513A","","","0.71073","MoKα","","0.0178","0.0176","","","0.0456","0.0457","","","","","","0.983","","","","has coordinates","223739","2020-10-21","18:00:00","" "7231886","28.685","0.012","18.298","0.008","18.24","0.008","90","","122.743","0.006","90","","8053","6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H78 Cu4 Mo10 N12 O65 P4 -","- C12 H40 Cu4 Mo10 N12 O65 P4 -","- C48 H160 Cu16 Mo40 N48 O260 P16 -","4","0.5","","Ma, Xiang; Zhang, Chao; Hua, Jiai; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A binuclear copper-substituted phosphomolybdate with reactive oxygen species catalytic ability and antimicrobial activity","CrystEngComm","2019","21","3","394","","10.1039/C8CE01513A","","","0.71073","MoKα","","0.0345","0.0321","","","0.0877","0.0893","","","","","","1.037","","","","has coordinates,has disorder","223739","2020-10-21","18:00:00","" "7231887","7.6961","0.00014","10.9153","0.0002","27.2368","0.0005","90","","96.1341","0.0007","90","","2274.93","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Amodiaquine Dihydrochloride Dihydrate","4-[(7-chloro-4-quinolyl)amino]- 2-[(diethylamino)methyl] phenol dihydrochloride dihydrate.","","- C20 H28 Cl3 N3 O3 -","- C20 H28 Cl3 N3 O3 -","- C80 H112 Cl12 N12 O12 -","4","1","","Putra, Okky Dwichandra; Pettersen, Anna; Nilsson Lill, Sten O.; Umeda, Daiki; Yonemochi, Etsuo; Nugraha, Yuda Prasetya; Uekusa, Hidehiro","Capturing a new hydrate polymorph of amodiaquine dihydrochloride dihydrate via heterogeneous crystallisation","CrystEngComm","2019","21","13","2053","","10.1039/C8CE01720D","","","1.54186","CuKα","","0.0484","0.0437","","","0.1102","0.1135","","","","","","1.087","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231888","26.744","0.002","3.866","0.0003","24.352","0.002","90","","90","","90","","2517.8","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","2","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0398","0.0353","","","0.0898","0.0937","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231889","12.8319","0.0009","11.667","0.0008","9.5936","0.0007","90","","90","","90","","1436.26","0.18","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0356","0.0329","","","0.0862","0.0886","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231890","7.6177","0.0005","6.5936","0.0004","22.5748","0.0014","90","","97.516","0.001","90","","1124.15","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O5 -","- C11 H11 N3 O5 -","- C44 H44 N12 O20 -","4","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0432","0.0369","","","0.0955","0.0999","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231891","3.9358","0.0005","15.944","0.002","20.68","0.003","90","","90.305","0.002","90","","1297.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0432","0.0342","","","0.0843","0.0894","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231892","10.1018","0.0005","11.3577","0.0005","21.6477","0.001","90","","98.4472","0.0007","90","","2456.8","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C96 H104 N24 O32 -","8","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0423","0.0357","","","0.0902","0.0944","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231893","12.7652","0.0005","6.1962","0.0002","26.7849","0.0009","90","","91.423","0.002","90","","2117.92","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N3 O2 S -","- C27 H19 N3 O2 S -","- C108 H76 N12 O8 S4 -","4","1","","Duarte, Luís Gustavo Teixeira Alves; Germino, José Carlos; Berbigier, Jônatas Faleiro; Barboza, Cristina Aparecida; Faleiros, Marcelo Meira; de Alencar Simoni, Deborah; Galante, Miguel Tayar; de Holanda, Matheus Serra; Rodembusch, Fabiano Severo; Atvars, Teresa Dib Zambon","White-light generation from all-solution-processed OLEDs using a benzothiazole-salophen derivative reactive to the ESIPT process.","Physical chemistry chemical physics : PCCP","2019","21","3","1172","1182","10.1039/c8cp06485g","","","1.54178","CuKα","","0.0548","0.0425","","","0.1083","0.1154","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231898","3.9878","0.0002","12.0606","0.0007","24.7189","0.0014","90","","93.93","0.003","90","","1186.07","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","2","","Mishra, Manisha; Twardy, Dylan; Ellstrom, Clifford; Wheeler, Kraig A.; Dembinski, Roman; Török, Béla","Catalyst-free ambient temperature synthesis of isoquinoline-fused benzimidazoles from 2-alkynylbenzaldehydes via alkyne hydroamination","Green Chemistry","2019","21","1","99","","10.1039/C8GC02520G","","","1.54178","CuKα","","0.0439","0.0386","","","0.0935","0.0966","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231899","13.2669","0.0008","11.5841","0.0007","16.4623","0.0011","90","","100.794","0.004","90","","2485.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 -","- C17 H14 N2 -","- C136 H112 N16 -","8","2","","Mishra, Manisha; Twardy, Dylan; Ellstrom, Clifford; Wheeler, Kraig A.; Dembinski, Roman; Török, Béla","Catalyst-free ambient temperature synthesis of isoquinoline-fused benzimidazoles from 2-alkynylbenzaldehydes via alkyne hydroamination","Green Chemistry","2019","21","1","99","","10.1039/C8GC02520G","","","1.54178","CuKα","","0.1097","0.0861","","","0.2373","0.2635","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231901","7.1167","0.0004","7.2147","0.0003","13.2268","0.0004","81.973","0.003","99.788","0.004","117.046","0.004","594.55","0.05","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- B K3 O13 Sb4 -","- B K3 O13 Sb4 -","- B2 K6 O26 Sb8 -","2","1","","Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric","New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor","CrystEngComm","2019","21","4","594","","10.1039/C8CE01712C","","","0.71073","MoKα","","0.0533","0.0372","","","0.0713","0.076","","","","","","1.144","","","","has coordinates","223582","2020-10-21","18:00:00","" "7231902","7.1593","0.0005","7.2533","0.0005","13.4894","0.0009","82.358","0.007","99.999","0.005","117.321","0.007","611.75","0.08","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- B O13 Rb3 Sb4 -","- B O13 Rb3 Sb4 -","- B2 O26 Rb6 Sb8 -","2","1","","Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric","New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor","CrystEngComm","2019","21","4","594","","10.1039/C8CE01712C","","","0.71073","MoKα","","0.0463","0.0337","","","0.0668","0.0712","","","","","","1.153","","","","has coordinates","223582","2020-10-21","18:00:00","" "7231903","7.1456","0.0005","7.239","0.0008","13.4113","0.0007","82.058","0.007","100.051","0.006","117.205","0.005","606.16","0.09","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- B K0.99 O13 Rb2.01 Sb4 -","- B K0.985 O13 Rb2.015 Sb4 -","- B2 K1.97 O26 Rb4.03 Sb8 -","2","1","","Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric","New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor","CrystEngComm","2019","21","4","594","","10.1039/C8CE01712C","","","0.71073","MoKα","","0.0423","0.0338","","","0.0748","0.0777","","","","","","1.217","","","","has coordinates","223582","2020-10-21","18:00:00","" "7231905","5.6867","0.0003","5.6867","0.0003","5.6867","0.0003","90","","90","","90","","183.9","0.017","298","2","298","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H6 Cl3 N Pb -","- C1.0008 Cl3 N1.0008 Pb -","- C1.0008 Cl3 N1.0008 Pb -","1","0.0208333","","Nandi, Pronoy; Giri, Chandan; Swain, Diptikanta; Manju, U.; Topwal, Dinesh","Room temperature growth of CH3NH3PbCl3 single crystals by solvent evaporation method","CrystEngComm","2019","21","4","656","","10.1039/C8CE01939H","","","0.71073","MoKα","","0.0347","0.0347","","","0.0665","0.0665","","","","","","1.27","","","","has coordinates","223576","2020-10-21","18:00:00","" "7231906","6.8028","0.0012","8.47","0.0015","11.01","0.002","73.643","0.005","87.812","0.005","75.045","0.005","587.69","0.18","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N6 O14 -","- C18 H20 Cu N6 O14 -","- C18 H20 Cu N6 O14 -","1","0.5","","Guo, Zhaoqi; Wang, Yu; Liu, Xuemin; Zhang, Cong; Zhang, Yazhou; Ma, Haixia","Auxiliary ligand-directed synthesis of 3D energetic coordination polymer from discrete complex: enhanced energy density, thermal stability and energy performance","CrystEngComm","2019","21","3","462","","10.1039/C8CE01891J","","","0.71073","MoKα","","0.0684","0.0431","","","0.0783","0.0835","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231907","7.889","0.0011","8.2289","0.0008","19.101","0.002","90","","96.213","0.004","90","","1232.7","0.2","292","","292","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 Cu2 N6 O8 -","- C8 H5 Cu2 N6 O8 -","- C32 H20 Cu8 N24 O32 -","4","1","","Guo, Zhaoqi; Wang, Yu; Liu, Xuemin; Zhang, Cong; Zhang, Yazhou; Ma, Haixia","Auxiliary ligand-directed synthesis of 3D energetic coordination polymer from discrete complex: enhanced energy density, thermal stability and energy performance","CrystEngComm","2019","21","3","462","","10.1039/C8CE01891J","","","0.71073","MoKα","","0.0399","0.0306","","","0.0756","0.08","","","","","","1.033","","","","has coordinates","223742","2020-10-21","18:00:00","" "7231908","3.8517","0.0002","18.458","0.002","16.3545","0.0012","90","","92.481","0.003","90","","1161.63","0.16","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ROY","5-methyl-2-[(2-nitrophenyl)-amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Nyman, Jonas; Yu, Lian; Reutzel-Edens, Susan M.","Accuracy and reproducibility in crystal structure prediction: the curious case of ROY","CrystEngComm","2019","21","13","2080","","10.1039/C8CE01902A","","x-ray","1.54178","CuKα","","0.0308","0.0287","","","0.0752","0.0765","","","","","","1.04","","","","has coordinates","223632","2020-10-21","18:00:00","" "7231909","3.8517","0.0002","18.458","0.002","16.3545","0.0012","90","","92.481","0.003","90","","1161.63","0.16","100","2","99.97","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ROY","5-methyl-2-[(2-nitrophenyl)-amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Nyman, Jonas; Yu, Lian; Reutzel-Edens, Susan M.","Accuracy and reproducibility in crystal structure prediction: the curious case of ROY","CrystEngComm","2019","21","13","2080","","10.1039/C8CE01902A","","x-ray","1.54178","CuKα","","0.0308","0.0287","","","0.0752","0.0765","","","","","","1.04","","","","has coordinates","223632","2020-10-21","18:00:00","" "7231912","15.8546","0.0003","11.2212","0.0002","19.1473","0.0004","90","","93.305","0.002","90","","3400.79","0.11","130.01","0.1","130.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Cu2 I2 N10 -","- C30 H40 Cu2 I2 N10 -","- C120 H160 Cu8 I8 N40 -","4","1","","Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham","Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties","CrystEngComm","2019","21","2","251","","10.1039/C8CE01348A","","x-ray","1.54184","CuKα","","0.0577","0.0475","","","0.1335","0.1429","","","","","","1.114","","","","has coordinates","223591","2020-10-21","18:00:00","" "7231913","8.213","0.0007","10.6509","0.0007","24.483","0.002","90","","94.124","0.007","90","","2136.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","AB96","","","- C16 H24 Cl2 Cu2 N6 O2 -","- C16 H24 Cl2 Cu2 N6 O2 -","- C64 H96 Cl8 Cu8 N24 O8 -","4","1","","Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham","Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties","CrystEngComm","2019","21","2","251","","10.1039/C8CE01348A","","","0.71073","MoKα","","0.0765","0.0472","","","0.1004","0.1184","","","","","","1.06","","","","has coordinates","223591","2020-10-21","18:00:00","" "7231914","8.9045","0.0004","14.2825","0.0004","12.8264","0.0007","90","","95.806","0.005","90","","1622.87","0.12","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Br4 Cu4 N8 O4 -","- C24 H36 Br4 Cu4 N8 O4 -","- C48 H72 Br8 Cu8 N16 O8 -","2","0.5","","Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham","Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties","CrystEngComm","2019","21","2","251","","10.1039/C8CE01348A","","x-ray","0.71073","MoKα","","0.0463","0.0349","","","0.0867","0.0911","","","","","","1.016","","","","has coordinates,has disorder","223591","2020-10-21","18:00:00","" "7231915","9.949","0.005","11.344","0.005","12.395","0.005","98.565","0.005","90.042","0.005","91.149","0.005","1383","1.1","298","1","298","1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 Cd N5 O7 -","- C29 H25 Cd N5 O7 -","- C58 H50 Cd2 N10 O14 -","2","1","","Pal, Arun; Mitra, Antarip; Chand, Santanu; Lin, Jian-Bin; Das, Madhab C.","Two 2D microporous MOFs based on bent carboxylates and a linear spacer for selective CO2 adsorption","CrystEngComm","2019","21","3","535","","10.1039/C8CE01925H","","","0.71073","MoKα","","0.1283","0.0527","","","0.0977","0.1266","","","","","","0.961","","","","has coordinates","223740","2020-10-21","18:00:00","" "7231916","9.894","0.005","12.719","0.005","12.789","0.005","60.037","0.005","77.603","0.005","83.457","0.005","1361.7","1","298","1","298","1","","","","","","","","6","P 1","P 1","1","","","","- C40 H26 N4 O13 S2 Zn2 -","- C40 H26 N4 O13 S2 Zn2 -","- C40 H26 N4 O13 S2 Zn2 -","1","1","","Pal, Arun; Mitra, Antarip; Chand, Santanu; Lin, Jian-Bin; Das, Madhab C.","Two 2D microporous MOFs based on bent carboxylates and a linear spacer for selective CO2 adsorption","CrystEngComm","2019","21","3","535","","10.1039/C8CE01925H","","","0.71073","MoKα","","0.0889","0.0617","","","0.1734","0.1893","","","","","","1.019","","","","has coordinates","223740","2020-10-21","18:00:00","" "7231917","19.278","0.002","30.847","0.004","31.788","0.004","103.418","0.0015","99.2516","0.0015","95.3487","0.0015","17980","4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Li O U -","- Li86.352 O783.222 U96 -","- Li86.352 O783.222 U96 -","1","0.5","","Traustason, H.; Aksenov, S. M.; Burns, P. C.","The lithium‒water configuration encapsulated by uranyl peroxide cage cluster U24","CrystEngComm","2019","21","3","390","","10.1039/C8CE01774C","","","1.5478","","","0.0742","0.0484","","","0.1467","0.1625","","","","","","1.075","","","","has coordinates","223741","2020-10-21","18:00:00","" "7231918","8.8708","0.0018","15.609","0.003","18.593","0.004","90","","90.01","0.03","90","","2574.5","0.9","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 N2 O5 -","- C28 H38 N2 O5 -","- C112 H152 N8 O20 -","4","2","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol–aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.0309","0.0304","","","0.0698","0.0702","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231919","32.061","0.003","11.0501","0.0009","7.0657","0.0006","90","","93.859","0.003","90","","2497.5","0.4","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26.5 H38.5 N3 O3.75 -","- C26.5 H38.5 N3 O3.75 -","- C106 H154 N12 O15 -","4","1","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.1047","0.0619","","","0.123","0.1411","","","","","","1.016","","","","has coordinates","223634","2020-10-21","18:00:00","" "7231920","9.6635","0.0003","23.495","0.0006","11.8249","0.0003","90","","113.761","0.001","90","","2457.19","0.12","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 N2 O5 -","- C28 H38 N2 O5 -","- C112 H152 N8 O20 -","4","2","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol–aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.0328","0.032","","","0.0836","0.0846","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231921","7.866","0.0005","11.3879","0.0008","29.2351","0.0017","90","","95.638","0.002","90","","2606.1","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H38 N2 O5 -","- C29 H38 N2 O5 -","- C116 H152 N8 O20 -","4","2","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol–aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.0764","0.0511","","","0.1119","0.121","","","","","","0.972","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231922","30.935","0.004","3.8492","0.0005","13.9128","0.0019","90","","90","","90","","1656.7","0.4","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H3 N S3 -","- C8 H3 N S3 -","- C64 H24 N8 S24 -","8","2","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C–N⋯H–C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0416","0.0374","","","0.0811","0.0828","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231923","9.4744","0.0011","15.4187","0.0017","26.876","0.003","90","","91.64","0.007","90","","3924.5","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H6 I3 N S6 -","- C13 H6 I3 N S6 -","- C104 H48 I24 N8 S48 -","8","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.1467","0.1289","","","0.277","0.2832","","","","","","1.199","","","","has coordinates,has disorder","223578","2020-10-21","18:00:00","" "7231924","14.1394","0.0006","4.065","0.0001","24.6729","0.001","90","","90","","90","","1418.12","0.09","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H7 N S6 -","- C13 H7 N S6 -","- C52 H28 N4 S24 -","4","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C–N⋯H–C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0369","0.0333","","","0.0812","0.0829","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231925","7.7442","0.0005","7.744","0.0005","26.3522","0.0016","81.877","0.002","83.912","0.002","65.73","0.002","1424.22","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H14 N2 S12 -","- C26 H14 N2 S12 -","- C52 H28 N4 S24 -","2","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C–N⋯H–C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0655","0.0421","","","0.0937","0.1023","","","","","","0.976","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231926","3.8349","0.0002","14.8206","0.0006","13.7718","0.0005","90","","92.231","0.002","90","","782.13","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H3 N O S2 -","- C8 H3 N O S2 -","- C32 H12 N4 O4 S8 -","4","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C–N⋯H–C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0621","0.0469","","","0.1152","0.1222","","","","","","1.098","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231927","22.4236","0.0008","29.6641","0.0011","15.5246","0.0006","90","","90","","90","","10326.6","0.7","149","2","149","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C101 H86 Cu2 N5 O21 -","- C101 H86 Cu2 N5 O21 -","- C404 H344 Cu8 N20 O84 -","4","0.5","","Tanaka, Koichi; Kawakita, Tomohiro; Morawiak, Maja; Urbanczyk-Lipkowska, Zofia","A novel homochiral metal‒organic framework with an expanded open cage based on (R)-3,3′-bis(6-carboxy-2-naphthyl)-2,2′-dihydroxy-1,1′-binaphthyl: synthesis, X-ray structure and efficient HPLC enantiomer separation","CrystEngComm","2019","21","3","487","","10.1039/C8CE01791C","","","1.54178","CuKα","","0.1192","0.1099","","","0.2886","0.3169","","","","","","1.449","","","","has coordinates","223737","2020-10-21","18:00:00","" "7231928","12.99","0.003","17.916","0.004","20.699","0.005","90","","106.068","0.003","90","","4629.1","1.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 O13 -","- C48 H56 O13 -","- C192 H224 O52 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.1152","0.095","","","0.3234","0.3381","","","","","","1.374","","","","has coordinates,has disorder","223738","2020-10-21","18:00:00","" "7231929","10.236","0.002","13.402","0.003","15.695","0.004","64.813","0.006","74.226","0.006","83.78","0.006","1874.9","0.7","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H36 O11 -","- C45 H36 O11 -","- C90 H72 O22 -","2","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.1611","0.0702","","","0.1562","0.1963","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231930","27.04","0.006","17.777","0.004","8.1345","0.0017","90","","90","","90","","3910.2","1.5","203","2","203","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C44 H32 O10 -","- C44 H32 O10 -","- C176 H128 O40 -","4","0.5","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0906","0.0649","","","0.1833","0.1964","","","","","","1.076","","","","has coordinates","223738","2020-10-21","18:00:00","" "7231931","22.73","0.02","26.88","0.02","28.36","0.04","90","","90","","90","","17327","3","293","2","293","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C44 H52 O11 -","- C44 H52 O11 -","- C704 H832 O176 -","16","0.5","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0963","0.0755","","","0.2592","0.2927","","","","","","1.185","","","","has coordinates,has disorder","223738","2020-10-21","18:00:00","" "7231932","10.6822","0.0018","17.951","0.003","23.18","0.004","90","","95.295","0.003","90","","4425.9","1.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 O12 -","- C45 H52 O12 -","- C180 H208 O48 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.1457","0.0975","","","0.2736","0.3252","","","","","","1.083","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23","" "7231933","10.6209","0.0014","17.125","0.002","22.296","0.003","90","","95.218","0.002","90","","4038.5","0.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42.25 H51 O13 -","- C42.25 H51 O13 -","- C169 H204 O52 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.1129","0.0869","","","0.2315","0.2495","","","","","","1.017","","","","has coordinates,has disorder","223738","2020-10-21","18:00:00","" "7231934","18.745","0.007","18.745","0.007","16.688","0.006","90","","90","","90","","5864","4","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C64 H68 N4 O12 -","- C64 H68 N4 O12 -","- C256 H272 N16 O48 -","4","0.25","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0621","0.0468","","","0.1394","0.1486","","","","","","1.106","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231935","17.9565","0.0016","17.9565","0.0016","12.1543","0.0011","90","","90","","90","","3919","0.6","100","2","100","2","","","","","","","","3","P -4","P -4","81","","","","- C44 H48 O12 -","- C44 H48 O12 -","- C176 H192 O48 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0627","0.04","","","0.088","0.0958","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231936","7.148","0.0002","9.283","0.0002","17.067","0.0006","105.716","0.0009","98.767","0.001","95.949","0.0014","1064.83","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 Cl3 F2 N2 O3 Re -","- C19 H12 Cl3 F2 N2 O3 Re -","- C38 H24 Cl6 F4 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0451","0.0382","","","0.0912","0.0951","","","","","","1.059","","","","has coordinates","223521","2020-10-21","18:00:00","" "7231937","7.1653","0.0003","10.1441","0.0005","16.1968","0.001","86.971","0.004","82.27","0.004","71.257","0.004","1104.65","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 Br Cl4 N2 O3 Re -","- C19 H12 Br Cl4 N2 O3 Re -","- C38 H24 Br2 Cl8 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.041","0.0353","","","0.0691","0.0722","","","","","","1.031","","","","has coordinates","223521","2020-10-21","18:00:00","" "7231938","7.3756","0.0004","8.8914","0.0004","16.9636","0.001","98.004","0.004","90.442","0.005","105.113","0.004","1062.4","0.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H12 Br2 Cl F2 N2 O3 Re -","- C19 H12 Br2 Cl F2 N2 O3 Re -","- C38 H24 Br4 Cl2 F4 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0727","0.0527","","","0.1244","0.1355","","","","","","1.023","","","","has coordinates,has disorder","223521","2020-10-21","18:00:00","" "7231939","7.36","0.0001","9.208","0.0003","16.59","0.0005","101.508","0.001","94.97","0.002","98.653","0.002","1081.25","0.05","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H12 Br Cl2 F2 N2 O3 Re -","- C19 H12 Br Cl2 F2 N2 O3 Re -","- C38 H24 Br2 Cl4 F4 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0331","0.027","","","0.077","0.093","","","","","","1.261","","","","has coordinates","223521","2020-10-21","18:00:00","" "7231940","7.121","0.0001","33.788","0.0007","9.478","0.0002","90","","96.024","0.0008","90","","2267.86","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Cl5 N2 O3 Re -","- C19 H12 Cl5 N2 O3 Re -","- C76 H48 Cl20 N8 O12 Re4 -","4","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0618","0.0336","","","0.0532","0.0596","","","","","","1.012","","","","has coordinates","223521","2020-10-21","18:00:00","" "7231941","15.453","0.0005","7.073","0.0002","23.529","0.0008","90","","126.135","0.0011","90","","2076.98","0.12","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Cl3 F2 N2 O3 Re -","- C19 H12 Cl3 F2 N2 O3 Re -","- C76 H48 Cl12 F8 N8 O12 Re4 -","4","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0671","0.0435","","","0.0957","0.1081","","","","","","1.03","","","","has coordinates","223521","2020-10-21","18:00:00","" "7231942","7.3006","0.0005","11.598","0.0007","12.6789","0.0008","104.105","0.005","97.855","0.005","96.998","0.005","1017.88","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 Cl3 F2 N2 O3 Re -","- C19 H12 Cl3 F2 N2 O3 Re -","- C38 H24 Cl6 F4 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0361","0.0321","","","0.0556","0.0583","","","","","","1.019","","","","has coordinates","223521","2020-10-21","18:00:00","" "7231943","7.2547","0.0004","26.904","0.0016","12.6293","0.0007","90","","93.127","0.006","90","","2461.3","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Br Cl2 F6 N2 O3 Re -","- C21 H12 Br Cl2 F6 N2 O3 Re -","- C84 H48 Br4 Cl8 F24 N8 O12 Re4 -","4","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0442","0.0331","","","0.0542","0.0571","","","","","","1.098","","","","has coordinates","223521","2020-10-21","18:00:00","" "7231944","9.6938","0.0001","12.9012","0.0002","22.2519","0.0003","90","","91.119","0.001","90","","2782.33","0.06","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Br Cl2 F6 N2 O3 Re -","- C21 H12 Br Cl2 F6 N2 O3 Re -","- C84 H48 Br4 Cl8 F24 N8 O12 Re4 -","4","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0619","0.0379","","","0.0848","0.0918","","","","","","1.019","","","","has coordinates","223521","2020-10-21","18:00:00","" "7231945","14.5589","0.0003","13.8558","0.0003","23.7553","0.0004","90","","101.602","0.002","90","","4694.13","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 I6 N2 Pt2 -","- C32 H72 I6 N2 Pt2 -","- C128 H288 I24 N8 Pt8 -","4","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Kukushkin, Vadim Yu.","Recognition of the π-hole donor ability of iodopentafluorobenzene ‒ a conventional σ-hole donor for crystal engineering involving halogen bonding","CrystEngComm","2019","21","4","616","","10.1039/C8CE01851K","","","0.71073","MoKα","","0.0299","0.0219","","","0.0385","0.0406","","","","","","1.046","","","","has coordinates","223577","2020-10-21","18:00:00","" "7231946","9.3533","0.0005","12.0866","0.0007","14.5096","0.0006","80.144","0.004","75.835","0.004","78.965","0.005","1547.65","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H36 F5 I4 N Pt -","- C22 H36 F5 I4 N Pt -","- C44 H72 F10 I8 N2 Pt2 -","2","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Kukushkin, Vadim Yu.","Recognition of the π-hole donor ability of iodopentafluorobenzene ‒ a conventional σ-hole donor for crystal engineering involving halogen bonding","CrystEngComm","2019","21","4","616","","10.1039/C8CE01851K","","","0.71073","MoKα","","0.0424","0.0321","","","0.0729","0.0792","","","","","","1.047","","","","has coordinates","223577","2020-10-21","18:00:00","" "7231952","10.651","0.005","12.816","0.005","14.137","0.005","100.211","0.005","107.686","0.005","101.151","0.005","1745.4","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 N8 O4 S2 -","- C40 H36 N8 O4 S2 -","- C80 H72 N16 O8 S4 -","2","1","","Deb, Mohit L.; Borpatra, Paran J.; Baruah, Pranjal K.","A one-pot catalyst/external oxidant/solvent-free cascade approach to pyrimidines via a 1,5-hydride transfer","Green Chemistry","2019","21","1","69","","10.1039/C8GC03507E","","","0.71069","MoKα","","0.1249","0.1044","","","0.3581","0.3836","","","","","","1.604","","","","has coordinates","224597","2020-10-21","18:00:00","" "7231953","20.3152","0.0009","14.7532","0.0006","16.39","0.0007","90","","110.119","0.002","90","","4612.6","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N4 O2 -","- C26 H26 N4 O2 -","- C208 H208 N32 O16 -","8","1","","Deb, Mohit L.; Borpatra, Paran J.; Baruah, Pranjal K.","A one-pot catalyst/external oxidant/solvent-free cascade approach to pyrimidines via a 1,5-hydride transfer","Green Chemistry","2019","21","1","69","","10.1039/C8GC03507E","","","0.71073","MoKα","","0.1311","0.0772","","","0.2099","0.2566","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231954","10.9372","0.0007","9.1286","0.0005","35.781","0.002","90","","95.129","0.003","90","","3558.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N4 O2 -","- C22 H20 N4 O2 -","- C176 H160 N32 O16 -","8","2","","Deb, Mohit L.; Borpatra, Paran J.; Baruah, Pranjal K.","A one-pot catalyst/external oxidant/solvent-free cascade approach to pyrimidines via a 1,5-hydride transfer","Green Chemistry","2019","21","1","69","","10.1039/C8GC03507E","","","0.71073","MoKα","","0.1091","0.0706","","","0.1879","0.2219","","","","","","1.038","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23","" "7231962","9.5969","0.0007","10.9992","0.0012","14.5293","0.0012","87.894","0.012","72.005","0.009","75.7836","0.001","1412.7","0.2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 Ag2 Mo8 N6 O32 -","- C32 H56 Ag2 Mo8 N6 O32 -","- C32 H56 Ag2 Mo8 N6 O32 -","1","0.5","","Kobayashi, Jun; Misawa, Toshiyuki; Umeda, Chihiro; Isono, Toru; Ono, Seiji; Naruke, Haruo; Okamura, Yosuke; Koguchi, Shinichi; Higuchi, Masashi; Nagase, Yu; Ito, Takeru","Controlled introduction of metal cations into polymerizable ionic liquid-polyoxomolybdate hybrid crystals","CrystEngComm","2019","21","4","629","","10.1039/C8CE01658E","","","0.71075","MoKα","","0.037","0.0246","","","0.0546","0.0577","","","","","","0.937","","","","has coordinates","223581","2020-10-21","18:00:00","" "7231963","9.822","0.003","10.107","0.004","12.444","0.004","85.67","0.03","86.14","0.03","78.71","0.03","1206.2","0.7","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 K2 Mo8 N6 O30 -","- C24 H36 K2 Mo8 N6 O30 -","- C24 H36 K2 Mo8 N6 O30 -","1","0.5","","Kobayashi, Jun; Misawa, Toshiyuki; Umeda, Chihiro; Isono, Toru; Ono, Seiji; Naruke, Haruo; Okamura, Yosuke; Koguchi, Shinichi; Higuchi, Masashi; Nagase, Yu; Ito, Takeru","Controlled introduction of metal cations into polymerizable ionic liquid-polyoxomolybdate hybrid crystals","CrystEngComm","2019","21","4","629","","10.1039/C8CE01658E","","","0.71075","MoKα","","0.1852","0.0622","","","0.1257","0.1874","","","","","","0.948","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231964","12.4487","0.0007","14.0216","0.0008","17.0849","0.0009","112.276","0.0014","93.2135","0.0015","105.097","0.0015","2624.1","0.3","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Mo8 N6 Na O32 -","- C30 H45 Mo8 N6 Na O32 -","- C60 H90 Mo16 N12 Na2 O64 -","2","1","","Kobayashi, Jun; Misawa, Toshiyuki; Umeda, Chihiro; Isono, Toru; Ono, Seiji; Naruke, Haruo; Okamura, Yosuke; Koguchi, Shinichi; Higuchi, Masashi; Nagase, Yu; Ito, Takeru","Controlled introduction of metal cations into polymerizable ionic liquid-polyoxomolybdate hybrid crystals","CrystEngComm","2019","21","4","629","","10.1039/C8CE01658E","","","0.71075","MoKα","","0.0998","0.0768","","","0.1602","0.1742","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231965","7.31144","0.00016","9.2985","0.0002","12.3778","0.0002","89.7413","0.0017","88.0129","0.0017","70.786","0.002","794.14","0.03","150","1","150","1","","","","","","","","3","P 1","P 1","1","","","","- C37 H52 O5 -","- C37 H52 O5 -","- C37 H52 O5 -","1","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0254","0.0254","","","0.0739","0.0739","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231966","6.58547","0.00006","23.9331","0.0003","12.23603","0.00011","90","","90","","90","","1928.53","0.03","149.98","0.1","149.98","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Beta Estradiol Propanol Solvate","","- C21 H32 O3 -","- C21 H32 O3 -","- C84 H128 O12 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0366","0.0357","","","0.0975","0.0989","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231967","6.41117","0.00007","12.19725","0.00013","37.9575","0.0004","90","","90","","90","","2968.23","0.06","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Beta Estradiol Anhydrate","","- C36 H48 O4 -","- C36 H48 O4 -","- C144 H192 O16 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0397","0.0384","","","0.1003","0.1015","","","","","","1.073","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231968","6.98287","0.00007","13.56289","0.00014","18.1895","0.0002","90","","90","","90","","1722.69","0.03","160","0.1","160","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Beta Estradiol Acetontrile Solvate","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0369","0.0358","","","0.0938","0.0956","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231969","6.54127","0.00008","12.05549","0.00014","19.2527","0.0002","90","","90","","90","","1518.23","0.03","150","0.1","150","0.1","","","","","","","","3","P 2 21 21","P 2bc 2","18","","Estradiol Hemihydrate","","- C18 H25 O2.5 -","- C18 H25 O2.5 -","- C72 H100 O10 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0374","0.0372","","","0.1007","0.101","","","","","","1.062","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231971","17.386","0.004","23.565","0.006","45.325","0.011","90","","90","","90","","18570","8","296","2","296.15","","","","","","","","","8","F m m m","-F 2 2","69","","","","- C48 H26 Co Mo24 N4 O89 P2 Zn8 -","- C48 H26 Co Mo24 N4 O89 P2 Zn8 -","- C192 H104 Co4 Mo96 N16 O356 P8 Zn32 -","4","0.125","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0677","0.0495","","","0.1228","0.1398","","","","","","1.12","","","","has coordinates","223583","2020-10-21","18:00:00","" "7231972","9.4039","0.0019","7.8696","0.0016","9.4732","0.0019","90","","90","","90","","701.1","0.2","153","2","153.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H2 N8 O4 -","- C2 H2 N8 O4 -","- C8 H8 N32 O16 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.064","0.0606","","","0.1389","0.1402","","","","","","1.23","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231973","8.8499","0.0018","12.469","0.003","6.0807","0.0012","90","","129.15","0.03","90","","520.4","0.3","153","2","153.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C2 H6 N8 Na2 O7 -","- C2 H6 N8 Na2 O7 -","- C4 H12 N16 Na4 O14 -","2","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0205","0.0205","","","0.0545","0.0545","","","","","","1.067","","","","has coordinates","223583","2020-10-21","18:00:00","" "7231974","6.1408","0.0012","14.773","0.003","11.457","0.002","90","","100.56","0.03","90","","1021.8","0.4","153","2","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H8 Li2 N8 O8 -","- C2 H8 Li2 N8 O8 -","- C8 H32 Li8 N32 O32 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0307","0.0303","","","0.0762","0.0764","","","","","","1.083","","","","has coordinates,has disorder","223583","2020-10-21","18:00:00","" "7231975","9.1059","0.0018","11.496","0.002","9.1102","0.0018","90","","110.86","0.03","90","","891.2","0.3","153","2","153.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 N8 O4 Rb2 -","- C2 N8 O4 Rb2 -","- C8 N32 O16 Rb8 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0513","0.0442","","","0.0984","0.1042","","","","","","1.237","","","","has coordinates","223583","2020-10-21","18:00:00","" "7231976","24.506","0.005","8.0284","0.0016","4.7044","0.0009","90","","90","","90","","925.6","0.3","153","2","153.15","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C2 H2 K2 N8 O5 -","- C2 H2 K2 N8 O5 -","- C8 H8 K8 N32 O20 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.036","0.0356","","","0.0881","0.0884","","","","","","1.166","","","","has coordinates","223583","2020-10-21","18:00:00","" "7231977","5.3925","0.0011","7.3559","0.0015","7.4275","0.0015","61.64","0.03","87.56","0.03","69.5","0.03","240.09","0.13","153","2","153.15","","","","","","","","","4","P -1","-P 1","2","","","","- C2 Cs2 N8 O4 -","- C2 Cs2 N8 O4 -","- C2 Cs2 N8 O4 -","1","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0398","0.0394","","","0.0966","0.097","","","","","","1.085","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231978","17.352","0.005","23.578","0.007","45.26","0.013","90","","90","","90","","18517","9","296","2","296.15","","","","","","","","","8","F m m m","-F 2 2","69","","","","- C48 H24 Mo24 N4 Ni O88 P2 Zn8 -","- C48 H24 Mo24 N4 Ni O88 P2 Zn8 -","- C192 H96 Mo96 N16 Ni4 O352 P8 Zn32 -","4","0.125","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.1517","0.1238","","","0.2686","0.2888","","","","","","1.147","","","","has coordinates","223583","2020-10-21","18:00:00","" "7231979","11.7153","0.0005","7.8003","0.0003","23.8533","0.001","90","","96.471","0.001","90","","2165.9","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N6 O9 Pb2 -","- C44 H40 N6 O9 Pb2 -","- C88 H80 N12 O18 Pb4 -","2","0.5","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.078","0.0692","","","0.1892","0.2051","","","","","","1.004","","","","has coordinates","223526","2020-10-21","18:00:00","" "7231980","19.4892","0.0011","16.7208","0.001","19.5898","0.0016","90","","119.827","0.001","90","","5538.2","0.6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H58 N10 O10 Zn2 -","- C60 H58 N10 O10 Zn2 -","- C240 H232 N40 O40 Zn8 -","4","1","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.1191","0.0747","","","0.1531","0.1849","","","","","","1.066","","","","has coordinates","223526","2020-10-21","18:00:00","" "7231981","10.1766","0.0004","18.0574","0.0008","15.0263","0.0006","90","","108.487","0.001","90","","2618.78","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N5 O5 Zn -","- C28 H25 N5 O5 Zn -","- C112 H100 N20 O20 Zn4 -","4","1","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.0624","0.0438","","","0.1085","0.1188","","","","","","1.002","","","","has coordinates","223526","2020-10-21","18:00:00","" "7231982","22.0684","0.0009","17.0982","0.0007","14.8533","0.0006","90","","104.666","0.001","90","","5422","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 Cd2 N10 O10 -","- C56 H50 Cd2 N10 O10 -","- C224 H200 Cd8 N40 O40 -","4","1","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.069","0.054","","","0.1565","0.1695","","","","","","1.002","","","","has coordinates","223526","2020-10-21","18:00:00","" "7231983","21.6439","0.0009","12.7102","0.0005","22.4458","0.0009","90","","111.555","0.005","90","","5743","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H80 Ge2 O120 W20 Zr4 -","- C4 H4 Ge2 O106 W20 Zr4 -","- C8 H8 Ge4 O212 W40 Zr8 -","2","0.5","","Ni, Zhi-Hui; Li, Hai-Lou; Li, Xu-Yan; Yang, Guo-Yu","Zr4-Substituted polyoxometalate dimers decorated by d-tartaric acid/glycolic acid: syntheses, structures and optical/electrochemical properties","CrystEngComm","2019","21","5","876","","10.1039/C8CE01936C","","","0.71073","MoKα","","0.1312","0.0922","","","0.2202","0.2508","","","","","","1.089","","","","has coordinates","223553","2020-10-21","18:00:00","" "7231984","21.3684","0.0007","12.7595","0.0004","22.3975","0.0008","90","","109.631","0.004","90","","5751.7","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C4 H72 Ge2 K2 O112 W20 Zr4 -","- C4 H2 Ge2 K2 O99 W20 Zr4 -","- C8 H4 Ge4 K4 O198 W40 Zr8 -","2","1","","Ni, Zhi-Hui; Li, Hai-Lou; Li, Xu-Yan; Yang, Guo-Yu","Zr4-Substituted polyoxometalate dimers decorated by d-tartaric acid/glycolic acid: syntheses, structures and optical/electrochemical properties","CrystEngComm","2019","21","5","876","","10.1039/C8CE01936C","","","0.71073","MoKα","","0.0821","0.0612","","","0.1664","0.1809","","","","","","1","","","","has coordinates","223553","2020-10-21","18:00:00","" "7231986","15.397","0.009","15.921","0.009","6.253","0.004","90","","90","","90","","1532.8","1.6","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H30 Co N4 O8 -","- C34 H30 Co N4 O8 -","- C68 H60 Co2 N8 O16 -","2","0.5","","Kong, Jiao-Jiao; Shao, Dong; Zhang, Jia-Chen; Jiang, Yu-Xuan; Ji, Cheng-Long; Huang, Xing-Cai","From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed benzimidazole–dicarboxylate strategy: syntheses, structures, and magnetic properties","CrystEngComm","2019","21","4","749","","10.1039/C8CE01931B","","","0.71073","MoKα","","0.0349","0.0317","","","0.0856","0.0956","","","","","","1.133","","","","has coordinates","301866","2025-08-22","21:38:23","" "7231987","8.0284","0.0014","25.322","0.005","11.209","0.002","90","","102.068","0.003","90","","2228.4","0.7","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Co N4 O5 -","- C22 H26 Co N4 O5 -","- C88 H104 Co4 N16 O20 -","4","1","","Kong, Jiao-Jiao; Shao, Dong; Zhang, Jia-Chen; Jiang, Yu-Xuan; Ji, Cheng-Long; Huang, Xing-Cai","From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed benzimidazole‒dicarboxylate strategy: syntheses, structures, and magnetic properties","CrystEngComm","2019","21","4","749","","10.1039/C8CE01931B","","","0.71073","MoKα","","0.0726","0.0532","","","0.154","0.1658","","","","","","1.066","","","","has coordinates","223579","2020-10-21","18:00:00","" "7231988","14.6544","0.0017","9.5892","0.0011","18.448","0.002","90","","97.01","0.002","90","","2573","0.5","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H46 Co3 N6 O14 -","- C48 H46 Co3 N6 O14 -","- C96 H92 Co6 N12 O28 -","2","0.5","","Kong, Jiao-Jiao; Shao, Dong; Zhang, Jia-Chen; Jiang, Yu-Xuan; Ji, Cheng-Long; Huang, Xing-Cai","From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed benzimidazole‒dicarboxylate strategy: syntheses, structures, and magnetic properties","CrystEngComm","2019","21","4","749","","10.1039/C8CE01931B","","","0.71073","MoKα","","0.045","0.0353","","","0.1016","0.1118","","","","","","1.071","","","","has coordinates","223579","2020-10-21","18:00:00","" "7231989","11.0222","0.0014","15.1754","0.0019","19.331","0.003","90","","100.256","0.004","90","","3181.8","0.8","353","","353","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-(tris(μ4-1,1'-biphenyl-4,4'-dicarboxylato)-tris-cobalt bis(N,N-dimethylformamide)","","- C24 H19 Co1.5 N O7 -","- C24 H19 Co1.5 N O7 -","- C96 H76 Co6 N4 O28 -","4","1","","Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia","MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight","CrystEngComm","2019","21","5","827","","10.1039/C8CE01808A","","x-ray","0.71073","MoKα","","0.0508","0.0395","","","0.0892","0.0937","","","","","","1.033","","","","has coordinates,has disorder","223544","2020-10-21","18:00:00","" "7231990","13.1391","0.0007","13.3582","0.0006","19.7524","0.001","90","","106.272","0.002","90","","3328","0.3","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","catena-(tris(μ4-1,1'-biphenyl-4,4'-dicarboxylato)-tris-cobalt tetra(μ1-N,N-dimethylformamide)tetra(N,N-dimethylformamide) solvate","","- C63 H73 Co3 N7 O19 -","- C63 H73 Co3 N7 O19 -","- C126 H146 Co6 N14 O38 -","2","1","","Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia","MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight","CrystEngComm","2019","21","5","827","","10.1039/C8CE01808A","","x-ray","0.71073","MoKα","","0.0342","0.0268","","","0.0601","0.0635","","","","","","1.025","","","","has coordinates","223544","2020-10-21","18:00:00","" "7231991","17.1291","0.0004","21.8862","0.0005","26.2493","0.0007","90","","90","","90","","9840.6","0.4","258","","258","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C42 H24 Co4 O13 -","- C42.438 H24 Co4 O13 -","- C169.752 H96 Co16 O52 -","4","0.5","","Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia","MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight","CrystEngComm","2019","21","5","827","","10.1039/C8CE01808A","","x-ray","0.7","Synchrotron","","0.1212","0.1119","","","0.3473","0.3705","","","","","","1.142","","","","has coordinates,has disorder","223544","2020-10-21","18:00:00","" "7231992","13.5409","0.0007","12.9814","0.0008","13.6168","0.0008","90","","90","","90","","2393.6","0.2","293","2","293","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C20 H26 Cl F6 Ir N3 O P -","- C20 H26 Cl F6 Ir N3 O P -","- C80 H104 Cl4 F24 Ir4 N12 O4 P4 -","4","0.5","","Huang, Ming; Li, Yinwu; Liu, Jiahao; Lan, Xiao-Bing; Liu, Yan; Zhao, Cunyuan; Ke, Zhuofeng","A bifunctional strategy for N-heterocyclic carbene-stabilized iridium complex-catalyzed N-alkylation of amines with alcohols in aqueous media","Green Chemistry","2019","21","2","219","","10.1039/C8GC02298D","","","0.71073","MoKα","","0.0475","0.0405","","","0.1057","0.1115","","","","","","1.052","","","","has coordinates,has disorder","224608","2020-10-21","18:00:00","" "7231993","26.6194","0.0004","26.6194","0.0004","27.22","0.0005","90","","90","","120","","16703.8","0.5","200","","200","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C37 H54 Cl N2 P2 Rh -","- C37 H54 Cl N2 P2 Rh -","- C666 H972 Cl18 N36 P36 Rh18 -","18","0.5","","Lam, Raphael H.; McQueen, Caitlin M. A.; Pernik, Indrek; McBurney, Roy T.; Hill, Anthony F.; Messerle, Barbara A.","Selective formylation or methylation of amines using carbon dioxide catalysed by a rhodium perimidine-based NHC complex","Green Chemistry","2019","21","3","538","","10.1039/C8GC03094D","","","0.71073","MoKα","","0.063","0.0499","","0.1208","0.1103","0.1208","","","","","","0.9753","","","","has coordinates","224636","2020-10-21","18:00:00","" "7231994","18.576","0.003","18.408","0.002","9.3574","0.0013","90","","97.545","0.009","90","","3172","0.8","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","DUT-8(Ni)","Ni2(ndc)2dabco","","- C30 H24 N2 Ni2 O8 -","- C30 H24 N2 Ni2 O8 -","- C60 H48 N4 Ni4 O16 -","2","0.25","","Petkov, Petko St; Bon, Volodymyr; Hobday, Claire L.; Kuc, Agnieszka B.; Melix, Patrick; Kaskel, Stefan; Düren, Tina; Heine, Thomas","Conformational isomerism controls collective flexibility in metal-organic framework DUT-8(Ni).","Physical chemistry chemical physics : PCCP","2019","21","2","674","680","10.1039/c8cp06600k","","","0.71073","MoKα","","0.1029","0.0826","","","0.2625","0.2809","","","","","","1.151","","","","has coordinates","225326","2020-10-21","18:00:00","" "7231995","6.8023","0.0003","7.285","0.0004","9.2846","0.0005","93.815","0.004","111.477","0.005","112.513","0.005","383.91","0.04","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cu N8 O6 -","- C12 H12 Cu N8 O6 -","- C12 H12 Cu N8 O6 -","1","0.5","","Huddart, Benjamin M.; Brambleby, Jamie; Lancaster, Tom; Goddard, Paul A.; Xiao, Fan; Blundell, Stephen J.; Pratt, Francis L.; Singleton, John; Macchi, Piero; Scatena, Rebecca; Barton, Alyssa M.; Manson, Jamie L.","Magnetic order and enhanced exchange in the quasi-one-dimensional molecule-based antiferromagnet Cu(NO3)2(pyz)3.","Physical chemistry chemical physics : PCCP","2019","21","3","1014","1018","10.1039/c8cp07160h","","","0.71073","MoKα","","0.0204","0.0203","","","0.0542","0.0543","","","","","","1.103","","","","has coordinates","225332","2020-10-21","18:00:00","" "7232004","6.1982","0.0005","24.956","0.002","10.855","0.0009","90","","97.234","0.008","90","","1665.7","0.2","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 S -","- C21 H18 N2 S -","- C84 H72 N8 S4 -","4","1","","Fu, Hong-Yu; Liu, Xiao-Jing; Zha, Hao; Li, Xiao-Xue; Xu, Yi; Yang, Fan; Xia, Min","Position- and region-isomerized derivatives of a V-shaped fluorophore: the unique solution-state dual emission and the unusual force-induced solid-state turn-on emission.","Physical chemistry chemical physics : PCCP","2019","21","3","1399","1407","10.1039/c8cp06613b","","","0.71073","MoKα","","0.0741","0.0592","","","0.142","0.1526","","","","","","1.079","","","","has coordinates","225334","2020-10-21","18:00:00","" "7232005","10.7946","0.0007","7.794","0.0006","25.0193","0.0018","90","","96.088","0.006","90","","2093.1","0.3","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 S -","- C27 H22 N2 S -","- C108 H88 N8 S4 -","4","1","","Fu, Hong-Yu; Liu, Xiao-Jing; Zha, Hao; Li, Xiao-Xue; Xu, Yi; Yang, Fan; Xia, Min","Position- and region-isomerized derivatives of a V-shaped fluorophore: the unique solution-state dual emission and the unusual force-induced solid-state turn-on emission.","Physical chemistry chemical physics : PCCP","2019","21","3","1399","1407","10.1039/c8cp06613b","","","0.71073","MoKα","","0.0618","0.0425","","","0.0926","0.1056","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232006","7.398","0.001","14.3691","0.0015","20.4895","0.0016","90","","91.329","0.008","90","","2177.5","0.4","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 S -","- C27 H22 N2 S -","- C108 H88 N8 S4 -","4","1","","Fu, Hong-Yu; Liu, Xiao-Jing; Zha, Hao; Li, Xiao-Xue; Xu, Yi; Yang, Fan; Xia, Min","Position- and region-isomerized derivatives of a V-shaped fluorophore: the unique solution-state dual emission and the unusual force-induced solid-state turn-on emission.","Physical chemistry chemical physics : PCCP","2019","21","3","1399","1407","10.1039/c8cp06613b","","","0.71073","MoKα","","0.1287","0.0641","","","0.1472","0.1843","","","","","","1.005","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232007","12.2955","0.0011","13.9512","0.0011","12.4705","0.0014","90","","102.145","0.009","90","","2091.3","0.3","180","","180","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H22 N2 S -","- C27 H22 N2 S -","- C108 H88 N8 S4 -","4","2","","Fu, Hong-Yu; Liu, Xiao-Jing; Zha, Hao; Li, Xiao-Xue; Xu, Yi; Yang, Fan; Xia, Min","Position- and region-isomerized derivatives of a V-shaped fluorophore: the unique solution-state dual emission and the unusual force-induced solid-state turn-on emission.","Physical chemistry chemical physics : PCCP","2019","21","3","1399","1407","10.1039/c8cp06613b","","","0.71073","MoKα","","0.08","0.0555","","","0.1288","0.152","","","","","","1.045","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23","" "7232008","41.697","0.004","11.1157","0.0011","9.2068","0.0008","90","","93.753","0.006","90","","4258.1","0.7","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 S -","- C27 H22 N2 S -","- C216 H176 N16 S8 -","8","2","","Fu, Hong-Yu; Liu, Xiao-Jing; Zha, Hao; Li, Xiao-Xue; Xu, Yi; Yang, Fan; Xia, Min","Position- and region-isomerized derivatives of a V-shaped fluorophore: the unique solution-state dual emission and the unusual force-induced solid-state turn-on emission.","Physical chemistry chemical physics : PCCP","2019","21","3","1399","1407","10.1039/c8cp06613b","","","0.71073","MoKα","","0.1337","0.0649","","","0.1275","0.1622","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232009","7.3687","0.0002","16.4706","0.0004","13.862","0.0004","90","","97.054","0.003","90","","1669.65","0.08","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Br6 N Sb -","- C8 H12 Br6 N Sb -","- C32 H48 Br24 N4 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0354","0.0276","","","0.0572","0.0595","","","","","","1.173","","","","has coordinates","223549","2020-10-21","18:00:00","" "7232010","8.4645","0.0004","13.0802","0.0006","13.1574","0.0006","90","","105.702","0.005","90","","1402.39","0.12","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Br9 N2 Sb -","- C16 H24 Br9 N2 Sb -","- C32 H48 Br18 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0427","0.0313","","","0.0516","0.0545","","","","","","1.016","","","","has coordinates","223549","2020-10-21","18:00:00","" "7232011","7.4277","0.0005","14.1293","0.0008","16.7699","0.0007","90","","90","","90","","1759.97","0.17","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 Br6 N Sb -","- C9 H14 Br6 N Sb -","- C36 H56 Br24 N4 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0829","0.0674","","","0.1544","0.1685","","","","","","1.048","","","","has coordinates","223549","2020-10-21","18:00:00","" "7232012","9.947","0.0003","11.5017","0.0003","16.4632","0.0005","90","","107.201","0.003","90","","1799.27","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Br6 N Sb -","- C9 H14 Br6 N Sb -","- C36 H56 Br24 N4 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0303","0.022","","","0.0425","0.0446","","","","","","1.024","","","","has coordinates","223549","2020-10-21","18:00:00","" "7232013","7.2611","0.0008","9.0862","0.001","11.1895","0.0009","67.617","0.009","87.457","0.008","72.163","0.01","647.61","0.13","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Br9 N2 Sb -","- C14 H20 Br9 N2 Sb -","- C14 H20 Br9 N2 Sb -","1","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0678","0.0531","","","0.1248","0.1371","","","","","","1.015","","","","has coordinates","223549","2020-10-21","18:00:00","" "7232014","8.6483","0.0004","15.1885","0.0009","13.352","0.0005","90","","98.887","0.004","90","","1732.79","0.15","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Br11 N2 Sb -","- C24 H22 Br11 N2 Sb -","- C48 H44 Br22 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0446","0.0301","","","0.0551","0.0597","","","","","","1.015","","","","has coordinates","223549","2020-10-21","18:00:00","" "7232015","7.3255","0.0004","20.6666","0.001","16.5665","0.0007","90","","95.627","0.004","90","","2496","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br11 N2 Sb -","- C10 H10 Br11 N2 Sb -","- C40 H40 Br44 N8 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.1342","0.0906","","","0.231","0.2655","","","","","","1.086","","","","has coordinates","223549","2020-10-21","18:00:00","" "7232016","7.2472","0.0003","9.4088","0.0005","11.5541","0.0005","69.263","0.004","81.162","0.004","71.303","0.004","697.2","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Br9 N2 Sb -","- C16 H24 Br9 N2 Sb -","- C16 H24 Br9 N2 Sb -","1","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0449","0.0338","","","0.0615","0.0662","","","","","","0.991","","","","has coordinates","223549","2020-10-21","18:00:00","" "7232017","8.9834","0.0004","10.2599","0.0005","10.3601","0.0005","94.223","0.004","102.737","0.004","111.846","0.004","851.62","0.08","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Br9 N2 Sb -","- C26 H28 Br9 N2 Sb -","- C26 H28 Br9 N2 Sb -","1","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0469","0.0329","","","0.0539","0.059","","","","","","1.021","","","","has coordinates","223549","2020-10-21","18:00:00","" "7232018","8.18","0.0005","12.9394","0.0008","12.5865","0.0007","90","","105.412","0.007","90","","1284.3","0.14","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Br9 I2 N2 Sb -","- C10 H10 Br9 I2 N2 Sb -","- C20 H20 Br18 I4 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0546","0.0407","","","0.0769","0.0829","","","","","","1.017","","","","has coordinates","223549","2020-10-21","18:00:00","" "7232019","8.4041","0.0009","13.3407","0.0016","12.2371","0.0011","90","","95.731","0.009","90","","1365.1","0.3","130","2","130","2","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C12 H14 Br11 N2 Sb -","- C12 H14 Br11 N2 Sb -","- C24 H28 Br22 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0573","0.0555","","","0.1514","0.1539","","","","","","1.044","","","","has coordinates,has disorder","223549","2020-10-21","18:00:00","" "7232020","39.377","","43.654","","38.551","","90","","90","","90","","66267.8","","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C108 H72 Co6 N18 O30 -","- C108 H72 Co6 N18 O30 -","- C1728 H1152 Co96 N288 O480 -","16","1","","Qin, Bo-Wen; Zhou, Bao-Lei; Cui, Zheng; Zhou, Lei; Zhang, Xiao-Ying; Li, Wen-Liang; Zhang, Jing-Ping","Selective CO2 adsorption and theoretical simulation of a stable Co(ii)-based metal‒organic framework with tunable crystal size","CrystEngComm","2019","21","10","1564","","10.1039/C8CE01942H","","","0.71073","MoKα","","0.0687","0.0489","","","0.1344","0.1484","","","","","","1.001","","","","has coordinates","223488","2020-10-21","18:00:00","" "7232021","21.2827","0.001","21.2827","0.001","22.0855","0.001","90","","90","","120","","8663.5","0.7","90","2","90.15","","","","","","","","","6","P 3 1 m","P 3 -2","157","","","","- C190 H62.67 Cl1.33 N2 P2 Sc6 -","- C177.333 H39.9996 N2 P1.33333 Sc6 -","- C532 H119.999 N6 P4 Sc18 -","3","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Shimizu, Yasuhiro; Kuzmin, Alexey V.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Fullerene and endometallofullerene Kagome lattices with symmetry-forced spin frustration.","Physical chemistry chemical physics : PCCP","2019","21","4","1645","1649","10.1039/c8cp07017b","","","0.71073","MoKα","","0.2138","0.1493","","","0.3455","0.3995","","","","","","1.455","","","","has coordinates,has disorder","225325","2020-10-21","18:00:00","" "7232022","19.7234","0.001","19.7234","0.001","20.1242","0.0019","90","","90","","120","","6779.7","0.8","50","2","50","0.4","","","","","","","","4","P 3 1 m","P 3 -2","157","","","","- C150 H62.67 Cl1.33 P2 -","- C136.833 H39.996 P1.33333 -","- C410.5 H119.988 P4 -","3","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Shimizu, Yasuhiro; Kuzmin, Alexey V.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Fullerene and endometallofullerene Kagome lattices with symmetry-forced spin frustration.","Physical chemistry chemical physics : PCCP","2019","21","4","1645","1649","10.1039/c8cp07017b","","x-ray","0.71073","MoKα","","0.2053","0.1587","","","0.4081","0.4516","","","","","","1.727","","","","has coordinates,has disorder","225325","2020-10-21","18:00:00","" "7232027","11.557","0.0004","4.03422","0.00016","27.4354","0.0015","90","","95.906","0.004","90","","1272.34","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Br N O3 -","- C13 H12 Br N O3 -","- C52 H48 Br4 N4 O12 -","4","1","","Paikar, Arpita; Podder, Debasish; Chowdhury, Srayoshi Roy; Sasmal, Supriya; Haldar, Debasish","Bromine–bromine interactions enhanced plasticity for the bending of a single crystal without affecting fluorescent properties","CrystEngComm","2019","21","4","589","","10.1039/C8CE02086H","","x-ray","0.71073","MoKα","","0.0448","0.0393","","","0.0846","0.0866","","","","","","1.27","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232030","7.9313","0.0008","13.313","0.002","11.6544","0.0017","90","","104.509","0.012","90","","1191.3","0.3","295","","295","","0.108","0.004","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.815","0.861","","","","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232031","7.7929","0.0005","13.2989","0.0018","11.5902","0.0013","90","","104.082","0.008","90","","1165.1","0.2","295","","295","","0.237","0.005","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.299","0.875","","","","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232032","7.592","0.0004","13.2615","0.0014","11.4988","0.0012","90","","103.49","0.008","90","","1125.77","0.18","295","","295","","0.563","0.005","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.25","0.818","","","","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232033","7.4909","0.0004","13.2386","0.0014","11.4562","0.0011","90","","103.241","0.007","90","","1105.9","0.17","295","","295","","0.767","0.004","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.233","0.824","","","","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232034","7.8517","0.0005","13.3034","0.0017","11.6174","0.0011","90","","104.251","0.008","90","","1176.1","0.2","295","","295","","0.171","0.005","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.454","0.852","","","","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232035","7.6938","0.0005","13.2818","0.0016","11.5506","0.0012","90","","103.783","0.006","90","","1146.3","0.2","295","","295","","0.382","0.004","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.198","0.814","","","","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232036","7.2068","0.0006","13.153","0.002","11.3365","0.0016","90","","102.812","0.011","90","","1047.8","0.2","295","","295","","1.63","0.006","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.147","0.834","","","","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232037","7.4126","0.0004","13.2122","0.0015","11.4253","0.0011","90","","103.122","0.008","90","","1089.74","0.18","295","","295","","0.975","0.005","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.25","0.777","","","","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232038","6.9954","0.0005","13.0631","0.0018","11.2417","0.0013","90","","102.703","0.009","90","","1002.1","0.2","295","","295","","2.628","0.006","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.558","1.063","","","","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232039","7.8566","0.0004","13.3005","0.0015","11.6219","0.001","90","","104.253","0.007","90","","1177.07","0.18","295","","295","","0.152","0.004","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.331","0.87","","","","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232040","6.8305","0.0005","12.9782","0.0018","11.1656","0.0013","90","","102.712","0.008","90","","965.54","0.19","295","","295","","3.751","0.007","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.09","1.04","","","","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232041","6.6919","0.0005","12.9085","0.0017","11.0915","0.0013","90","","102.807","0.009","90","","934.27","0.18","295","","295","","5.01","0.008","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","0.968","0.925","","","","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232042","6.9097","0.0005","13.022","0.002","11.1993","0.0015","90","","102.719","0.008","90","","983","0.2","295","","295","","3.186","0.007","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.132","0.858","","","","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232043","6.6153","0.0005","12.8677","0.0016","11.0478","0.0012","90","","102.898","0.008","90","","916.7","0.17","295","","295","","5.842","0.008","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.105","1.002","","","","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232044","8.011","0.003","13.395","0.003","11.726","0.004","90","","104.759","0.019","90","","1216.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","neutron","","whitebeam","","0.0686","0.0686","","","0.1749","0.1749","","","","","","1.463","","","","has coordinates,has disorder","295944","2024-11-15","19:31:16","" "7232045","7.765","0.003","13.283","0.003","11.615","0.004","90","","104.14","0.019","90","","1161.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9.009 N3 O2 S -","- C48 H36.036 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","neutron","","whitebeam","","0.0673","0.0673","","","0.1795","0.1795","","","","","","1.498","","","","has coordinates,has disorder","295944","2024-11-15","19:31:16","" "7232046","7.713","0.002","13.271","0.003","11.611","0.004","90","","104.004","0.019","90","","1153.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","neutron","","whitebeam","","0.0701","0.0701","","","0.1881","0.1881","","","","","","1.549","","","","has coordinates,has disorder","295944","2024-11-15","19:31:16","" "7232047","7.651","0.002","13.243","0.003","11.624","0.004","90","","104.118","0.019","90","","1142.2","0.6","40","2","166","13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","neutron","","whitebeam","","0.069","0.069","","","0.1795","0.1795","","","","","","1.448","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232048","7.67","0.002","13.254","0.003","11.618","0.004","90","","104.066","0.018","90","","1145.7","0.6","60","2","60","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","neutron","","whitebeam","","0.0718","0.0718","","","0.1909","0.1909","","","","","","1.551","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23","" "7232049","11.4105","0.0006","13.539","0.0007","15.3325","0.0008","88.783","0.004","68.821","0.005","68.65","0.005","2040.5","0.2","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H84 N6 O18 Sm2 -","- C86 H84 N6 O18 Sm2 -","- C86 H84 N6 O18 Sm2 -","1","0.5","","Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei","White-light emission based on a single component Sm(iii) complex and enhanced optical properties by doping methods","CrystEngComm","2019","21","6","964","","10.1039/C8CE01919C","","","0.71073","MoKα","","0.0616","0.0411","","","0.074","0.0833","","","","","","1.026","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23","" "7232050","11.3766","0.0007","13.5678","0.0009","15.2994","0.0011","89.045","0.006","68.623","0.007","69.011","0.006","2035.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H84 Gd2 N6 O18 -","- C86 H84 Gd2 N6 O18 -","- C86 H84 Gd2 N6 O18 -","1","0.5","","Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei","White-light emission based on a single component Sm(iii) complex and enhanced optical properties by doping methods","CrystEngComm","2019","21","6","964","","10.1039/C8CE01919C","","","0.71073","MoKα","","0.0695","0.0452","","","0.0758","0.0865","","","","","","1.024","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23","" "7232051","11.4004","0.001","13.5367","0.0012","15.3073","0.0013","88.899","0.007","68.79","0.008","68.798","0.008","2036.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H84 Eu2 N6 O18 -","- C86 H84 Eu2 N6 O18 -","- C86 H84 Eu2 N6 O18 -","1","0.5","","Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei","White-light emission based on a single component Sm(iii) complex and enhanced optical properties by doping methods","CrystEngComm","2019","21","6","964","","10.1039/C8CE01919C","","","0.71073","MoKα","","0.0647","0.0438","","","0.0791","0.0906","","","","","","1.039","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23","" "7232052","9.888","0.0012","7.9929","0.0009","15.162","0.0018","90","","90","","90","","1198.3","0.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","isonicotinamide","4-pyridinecarboxamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Vicatos, Alexios I.; Caira, Mino R.","A new polymorph of the common coformer isonicotinamide","CrystEngComm","2019","21","5","843","","10.1039/C8CE01588K","","","0.71073","MoKα","","0.0564","0.0532","","","0.1414","0.1455","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232053","8.595","0.007","4.645","0.004","22.624","0.018","90","","91.293","0.018","90","","903","1.3","149.61","","149.61","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O3 -","- C9 H9 N3 O3 -","- C36 H36 N12 O12 -","4","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.236","0.0936","","","0.1552","0.2091","","","","","","0.991","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232054","13.5266","0.0018","10.2411","0.0014","13.4172","0.0017","90","","116.838","0.004","90","","1658.4","0.4","149.15","","149.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N3 O2 -","- C8 H9 N3 O2 -","- C64 H72 N24 O16 -","8","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.0815","0.0472","","","0.1134","0.136","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232055","6.018","0.0007","7.393","0.0009","9.3115","0.001","77.213","0.007","82.358","0.007","86.071","0.008","400.09","0.08","149.61","","149.61","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N3 O3 -","- C8 H7 N3 O3 -","- C16 H14 N6 O6 -","2","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.1179","0.0583","","","0.1212","0.145","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232056","9.3151","0.0003","4.9197","0.0002","16.7332","0.0006","90","","95.356","0.001","90","","763.49","0.05","150.02","","150.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C32 H28 N12 O4 -","4","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.0413","0.0385","","","0.0959","0.0983","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232057","4.669","0.005","8.554","0.008","28.15","0.03","90","","90","","90","","1124","2","149.59","","149.59","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cl N3 O3 -","- C10 H10 Cl N3 O3 -","- C40 H40 Cl4 N12 O12 -","4","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.087","0.0634","","","0.1382","0.1478","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232058","13.073","0.006","4.901","0.002","16.934","0.008","90","","106.837","0.013","90","","1038.5","0.8","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N3 O4 -","- C10 H11 N3 O4 -","- C40 H44 N12 O16 -","4","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.149","0.088","","","0.1681","0.1914","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232059","9.9817","0.0012","6.6498","0.0008","15.4052","0.0018","90","","90","","90","","1022.5","0.2","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H11 N3 O3 -","- C10 H11 N3 O3 -","- C40 H44 N12 O12 -","4","0.5","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.0444","0.0388","","","0.1038","0.109","","","","","","1.111","","","","has coordinates","223552","2020-10-21","18:00:00","" "7232060","6.1954","0.0013","9.278","0.002","9.776","0.002","90","","91.993","0.006","90","","561.6","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 N14 O2 -","- C6 H2 N14 O2 -","- C12 H4 N28 O4 -","2","0.5","","Liu, Yang; Shen, Cheng; Lu, Ming","Boosting the performance of energetic materials through thermally-induced conformational transition","CrystEngComm","2019","21","5","796","","10.1039/C8CE01825A","","","0.71073","MoKα","","0.0652","0.0622","","","0.1858","0.1884","","","","","","1.188","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232061","5.7955","0.0012","9.7961","0.0019","19.767","0.004","90","","92.904","0.007","90","","1120.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 N14 O2 -","- C6 H2 N14 O2 -","- C24 H8 N56 O8 -","4","1","","Liu, Yang; Shen, Cheng; Lu, Ming","Boosting the performance of energetic materials through thermally-induced conformational transition","CrystEngComm","2019","21","5","796","","10.1039/C8CE01825A","","","0.71073","MoKα","","0.0653","0.0507","","","0.1296","0.1381","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232062","12.452","0.0005","13.7523","0.0006","25.1444","0.0009","91.559","0.001","95.731","0.001","102.126","0.001","4183.6","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H54 F18 N16 Ni4 O26 S6 -","- C62 H40 F18 N16 Ni4 O26 S6 -","- C124 H80 F36 N32 Ni8 O52 S12 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.0616","0.047","","","0.14","0.1528","","","","","","1.024","","","","has coordinates","223548","2020-10-21","18:00:00","" "7232063","12.3939","0.0006","26.0105","0.0012","26.2478","0.0013","112.794","0.0015","95.4248","0.0017","97.6923","0.0018","7630.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H118 Cl12 N32 Ni8 O69 -","- C112 H80 Cl12 N32 Ni8 O69 -","- C224 H160 Cl24 N64 Ni16 O138 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.1088","0.0603","","","0.1418","0.1685","","","","","","1.03","","","","has coordinates,has disorder","223548","2020-10-21","18:00:00","" "7232064","14.587","0.001","14.7541","0.0009","18.4452","0.0012","95.571","0.003","97.055","0.003","90.12","0.003","3920.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H74 N22 Ni4 O36 -","- C56 H40 N22 Ni4 O36 -","- C112 H80 N44 Ni8 O72 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.1257","0.1095","","","0.2901","0.3103","","","","","","1.048","","","","has coordinates,has disorder","223548","2020-10-21","18:00:00","" "7232065","12.4085","0.0004","23.2955","0.0008","28.0056","0.0009","86.006","0.002","81.19","0.002","83.687","0.002","7939.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H134 Cl10 N32 Ni8 O62 -","- C120 H104 Cl10.0001 N32 Ni8 O61.9996 -","- C240 H208 Cl20.0002 N64 Ni16 O123.999 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.0744","0.0591","","","0.1711","0.1863","","","","","","1.042","","","","has coordinates,has disorder","223548","2020-10-21","18:00:00","" "7232066","14.587","0.001","14.7541","0.0009","18.4452","0.0012","95.571","0.003","97.055","0.003","90.12","0.003","3920.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H74 N22 Ni4 O36 -","- C56 H40 N16 Ni4 O4 -","- C112 H80 N32 Ni8 O8 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.08","0.0712","","","0.2078","0.2149","","","","","","1.104","","","","has coordinates","223548","2020-10-21","18:00:00","" "7232067","27.5506","0.0015","13.4067","0.0007","22.7853","0.0012","90","","98.378","0.001","90","","8326.2","0.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H214 Al4 Cu6 Mo24 N24 O143 -","- C24 H214 Al4 Cu6 Mo24 N24 O143 -","- C48 H428 Al8 Cu12 Mo48 N48 O286 -","2","0.25","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0399","0.0277","","","0.0575","0.0608","","","","","","1.053","","","","has coordinates,has disorder","223658","2020-10-21","18:00:00","" "7232068","8.2068","0.0005","21.0385","0.0013","24.5141","0.0015","90","","96.205","0.001","90","","4207.8","0.4","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H34 Cr Cu Mo6 N12 O31 -","- C12 H34 Cr Cu Mo6 N12 O31 -","- C48 H136 Cr4 Cu4 Mo24 N48 O124 -","4","1","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0864","0.044","","","0.0818","0.096","","","","","","0.988","","","","has coordinates,has disorder","223658","2020-10-21","18:00:00","" "7232069","11.5188","0.0005","5.9468","0.0003","21.01","0.001","90","","99.854","0.001","90","","1417.95","0.12","296","2","296.15","","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C7 H20 Cr Cu2 K Mo6 N6 O26 -","- C7 H20 Cr Cu2 K Mo6 N6 O26 -","- C14 H40 Cr2 Cu4 K2 Mo12 N12 O52 -","2","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0292","0.0249","","","0.0615","0.0631","","","","","","1.085","","","","has coordinates","223658","2020-10-21","18:00:00","" "7232070","27.6717","0.0016","13.4767","0.0008","22.8522","0.0013","90","","98.44","0.001","90","","8429.8","0.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H107 Cr2 Cu3 Mo12 N12 O71.5 -","- C12 H107 Cr2 Cu3 Mo12 N12 O71.5 -","- C48 H428 Cr8 Cu12 Mo48 N48 O286 -","4","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0599","0.0358","","","0.0754","0.0838","","","","","","0.979","","","","has coordinates","223658","2020-10-21","18:00:00","" "7232071","16.1041","0.0011","11.6957","0.0008","27.93","0.002","90","","95.28","0.002","90","","5238.3","0.6","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H98 Cd3 Cr3 Mo18 N12 O102 -","- C14 H98 Cd3 Cr3 Mo18 N12 O102 -","- C28 H196 Cd6 Cr6 Mo36 N24 O204 -","2","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.1186","0.0734","","","0.2085","0.2391","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232072","6.4672","0.0016","10.482","0.003","13.154","0.003","87.291","0.003","85.271","0.005","84.015","0.005","883.1","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C6 H31 Al Cu2.5 Mo6 N6 O27 -","- C6 H31 Al Cu2.5 Mo6 N6 O27 -","- C6 H31 Al Cu2.5 Mo6 N6 O27 -","1","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.1103","0.0512","","","0.112","0.1289","","","","","","0.959","","","","has coordinates","223658","2020-10-21","18:00:00","" "7232073","6.4711","0.0003","15.2046","0.0006","16.6977","0.0007","96.961","0.001","99.683","0.001","98.53","0.001","1583.48","0.12","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H52 Cr2 Cu3 Mo12 N12 O58 -","- C14 H52 Cr2 Cu3 Mo12 N12 O58 -","- C14 H52 Cr2 Cu3 Mo12 N12 O58 -","1","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0218","0.0195","","","0.0464","0.0474","","","","","","1.11","","","","has coordinates","223658","2020-10-21","18:00:00","" "7232074","7.5577","0.0004","9.998","0.0005","12.26","0.0006","75.432","0.001","79.59","0.001","69.491","0.001","835.39","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cd N O6 -","- C14 H11 Cd N O6 -","- C28 H22 Cd2 N2 O12 -","2","1","","Guo, Xiuli; Xu, Jianing; Sun, Jing; Chen, Xiaodong; Wang, Li; Fan, Yong","Three layer-structured cadmium coordination polymers based on flexible 5-(4-pyridyl)-methoxylisophthalic acid: rapid synthesis and luminescence sensing","CrystEngComm","2019","21","6","1001","","10.1039/C8CE01524D","","","0.71073","MoKα","","0.0244","0.0217","","","0.0652","0.0663","","","","","","1.078","","","","has coordinates","223601","2020-10-21","18:00:00","" "7232075","8.1208","0.0016","10.241","0.002","12.376","0.003","106.79","0.03","99.48","0.03","104.1","0.03","924.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Cd N2 O7 -","- C19 H15 Cd N2 O7 -","- C38 H30 Cd2 N4 O14 -","2","1","","Guo, Xiuli; Xu, Jianing; Sun, Jing; Chen, Xiaodong; Wang, Li; Fan, Yong","Three layer-structured cadmium coordination polymers based on flexible 5-(4-pyridyl)-methoxylisophthalic acid: rapid synthesis and luminescence sensing","CrystEngComm","2019","21","6","1001","","10.1039/C8CE01524D","","","0.71073","MoKα","","0.0688","0.0497","","","0.098","0.1058","","","","","","1.033","","","","has coordinates","223601","2020-10-21","18:00:00","" "7232076","7.6825","0.0004","10.0737","0.0004","13.2714","0.0006","70.544","0.001","89.008","0.002","74.231","0.002","928.96","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Cd N O9 -","- C18 H16 Cd N O9 -","- C36 H32 Cd2 N2 O18 -","2","1","","Guo, Xiuli; Xu, Jianing; Sun, Jing; Chen, Xiaodong; Wang, Li; Fan, Yong","Three layer-structured cadmium coordination polymers based on flexible 5-(4-pyridyl)-methoxylisophthalic acid: rapid synthesis and luminescence sensing","CrystEngComm","2019","21","6","1001","","10.1039/C8CE01524D","","","0.71073","MoKα","","0.1312","0.0618","","","0.0849","0.0996","","","","","","1.013","","","","has coordinates","223601","2020-10-21","18:00:00","" "7232077","5.6109","0.0006","14.914","0.0018","20.848","0.003","90","","96.566","0.006","90","","1733.1","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F2 N6 O5 -","- C15 H14 F2 N6 O5 -","- C60 H56 F8 N24 O20 -","4","1","","Owoyemi, Bolaji C. Dayo; da Silva, Cecilia C. P.; Diniz, Luan F.; Souza, Matheus S.; Ellena, Javier; Carneiro, Renato L.","Fluconazolium oxalate: synthesis and structural characterization of a highly soluble crystalline form","CrystEngComm","2019","21","7","1114","","10.1039/C8CE01729H","","","0.71073","MoKα","","0.1326","0.0551","","","0.128","0.1581","","","","","","1.047","","","","has coordinates,has disorder","223653","2020-10-21","18:00:00","" "7232078","17.96","0.004","12.903","0.002","24.414","0.004","90","","127.047","0.011","90","","4515.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 Cd3 N6 O17 -","- C48 H38 Cd3 N6 O17 -","- C192 H152 Cd12 N24 O68 -","4","1","","Gao, Wei; Liu, Feng; Pan, Chang-Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, Qing-Yu","A stable anionic metal‒organic framework with open coordinated sites: selective separation toward cationic dyes and sensing properties","CrystEngComm","2019","21","7","1159","","10.1039/C8CE02060D","","","0.71073","MoKα","","0.0883","0.0453","","","0.0893","0.1056","","","","","","1.012","","","","has coordinates","223655","2020-10-21","18:00:00","" "7232079","4.4913","0.0009","10.893","0.002","12.672","0.003","106.87","0.03","99.66","0.03","92.3","0.03","582.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H9 N4 O8 P -","- C6 H9 N4 O8 P -","- C12 H18 N8 O16 P2 -","2","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone – when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.033","0.0298","","","0.0789","0.0812","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232080","4.2098","0.0005","6.9632","0.0009","14.2021","0.0018","90","","92.36","0.003","90","","415.96","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C12 H12 N8 O8 -","2","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone – when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0397","0.0331","","","0.077","0.0806","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232081","7.9863","0.0016","14.566","0.003","16.208","0.003","77.88","0.03","80.9","0.03","87.87","0.03","1820.2","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 Cl N16 O21 -","- C24 H27 Cl N16 O21 -","- C48 H54 Cl2 N32 O42 -","2","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone – when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0987","0.0527","","","0.1198","0.1408","","","","","","0.964","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232082","13.4449","0.0014","7.8221","0.0009","7.8587","0.0009","90","","103.134","0.003","90","","804.86","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C24 H24 N16 O16 -","4","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone – when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0423","0.0333","","","0.0826","0.0892","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232083","15.801","0.003","12.931","0.003","24.475","0.005","90","","90.04","0.03","90","","5000.8","1.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N4 O6 -","- C9 H12 N4 O6 -","- C144 H192 N64 O96 -","16","4","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone – when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0941","0.0473","","","0.1037","0.1264","","","","","","1.01","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232084","6.5991","0.0006","10.8137","0.001","15.2509","0.0012","84.753","0.003","81.706","0.003","74.843","0.003","1037.82","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H14 N20 O11 Pb2 -","- C4 H14 N20 O11 Pb2 -","- C8 H28 N40 O22 Pb4 -","2","1","","Li, Xin; Sun, Qi; Lu, Ming; Lin, Qiuhan","Improving properties of energetic coordination polymers through structural modulation from 1D to 3D without changes of ligands or metal nodes","CrystEngComm","2019","21","6","937","","10.1039/C8CE01912F","","","0.71073","MoKα","","0.1061","0.0543","","","0.0853","0.0974","","","","","","1.03","","","","has coordinates,has disorder","223597","2020-10-21","18:00:00","" "7232085","11.4741","0.0012","17.026","0.002","5.9443","0.0006","90","","90","","90","","1161.3","0.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C2 H6 N10 O6 Pb2 -","- C2 H6 N10 O6 Pb2 -","- C8 H24 N40 O24 Pb8 -","4","0.5","","Li, Xin; Sun, Qi; Lu, Ming; Lin, Qiuhan","Improving properties of energetic coordination polymers through structural modulation from 1D to 3D without changes of ligands or metal nodes","CrystEngComm","2019","21","6","937","","10.1039/C8CE01912F","","","0.71073","MoKα","","0.0755","0.0382","","","0.0813","0.0923","","","","","","1.059","","","","has coordinates","223597","2020-10-21","18:00:00","" "7232086","14.073","0.0006","6.8273","0.0004","12.0491","0.0007","90","","90","","90","","1157.68","0.11","150","2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","3-(tert-butyl)-2H-naphtho[1,8-bc]furan-2-one","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","0.5","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.064","0.0538","","","0.1367","0.1437","","","","","","1.11","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232087","12.4248","0.0005","22.9673","0.0007","9.8566","0.0004","90","","112.446","0.005","90","","2599.63","0.19","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(tert-butyl)-2-methyl-2H-naphtho[1,8-bc]furan-2-ol","","- C16 H18 O2 -","- C16 H18 O2 -","- C128 H144 O16 -","8","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0832","0.0611","","","0.1344","0.145","","","","","","1.053","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23","" "7232088","8.2578","0.0004","10.5748","0.0005","23.1819","0.0012","99.596","0.004","91.72","0.004","104.122","0.004","1930.4","0.17","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","Tetramethylguanidinium 8-benzoylnaphth-1-oate","","- C22 H25.1 N3 O2.05 -","- C22 H25.1 N3 O2.05 -","- C88 H100.4 N12 O8.2 -","4","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0952","0.067","","","0.1155","0.1258","","","","","","1.128","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232089","17.3065","0.0005","17.6303","0.0004","8.0817","0.0002","90","","90","","90","","2465.88","0.11","110","2","110","2","","","","","","","","3","I b a 2","I 2 -2c","45","","8-Benzoyl-naphth-1-ol","","- C17 H12 O2 -","- C17 H12 O2 -","- C136 H96 O16 -","8","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0351","0.0331","","","0.0782","0.0791","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232090","9.9122","0.0002","13.8433","0.0003","13.9018","0.0003","90","","90","","90","","1907.57","0.07","150.01","0.1","150.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","8-Acetylnaphth-1-ol","","- C12 H10 O2 -","- C12 H10 O2 -","- C96 H80 O16 -","8","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0506","0.0418","","","0.0908","0.0953","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232091","15.1117","0.0006","15.6707","0.0007","16.4672","0.0007","80.552","0.004","69.591","0.004","61.179","0.004","3202.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","bis(dimethylamino)methaniminium 8-acetylnaphthalen-1-olate","","- C17 H23 N3 O2 -","- C17 H23 N3 O2 -","- C136 H184 N24 O16 -","8","4","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0885","0.0555","","","0.1127","0.1289","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232092","27.588","0.004","8.2227","0.0004","19.874","0.003","90","","132.66","0.03","90","","3315.4","1.8","149.97","0.12","149.97","0.12","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(dimethylamino)pyridine 1-(8'-hydroxynaphthalen-1'-yl)ethanonemolecular complex","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C152 H160 N16 O16 -","8","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.1238","0.0722","","","0.1293","0.1505","","","","","","1.095","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232093","10.1265","0.0011","25.804","0.003","7.9261","0.0007","90","","105.497","0.01","90","","1995.8","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(dimethylamino)pyridine 1-(2'-t-butyl-8'-hydroxylnaphthalen-1'-yl)ethanonemolecular complex","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C92 H112 N8 O8 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.1251","0.0691","","","0.1188","0.1373","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232094","10.8607","0.0007","8.0882","0.0005","15.3629","0.0009","90","","100.51","0.005","90","","1326.89","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl (E)-2-cyano-3-(1-hydroxynaphthalen-8-yl)acrylate","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0695","0.0553","","","0.1163","0.1235","","","","","","1.101","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232095","9.9169","0.0005","7.4879","0.0002","15.8768","0.0006","90","","108.096","0.005","90","","1120.65","0.08","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-((8'-hydroxynaphthalen-1'-yl)methylene)malononitrile","","","- C14 H8 N2 O -","- C14 H8 N2 O -","- C56 H32 N8 O4 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0729","0.0527","","","0.1017","0.1102","","","","","","1.098","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232096","8.4313","0.0005","26.5593","0.0011","9.5945","0.0005","90","","114.586","0.007","90","","1953.7","0.2","150","10","150","10","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(dimethylamino) pyridine 1-(8'-hydroxynaphthalen-1'-yl)-2-methylbutan-1-onemolecular complex","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.1105","0.0738","","","0.1639","0.1822","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232097","7.3963","0.0003","14.2452","0.0004","13.5274","0.0005","90","","105.187","0.004","90","","1375.49","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-((8'-hydroxynaphthalen-1'-yl)methylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0752","0.0573","","","0.1123","0.1198","","","","","","1.106","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232098","6.9441","0.0004","8.8146","0.0004","14.8418","0.0008","77.773","0.004","78.744","0.004","76.371","0.004","852.7","0.08","150.01","0.1","150.01","0.1","","","","","","","","3","P -1","-P 1","2","","7a-hydroxy-9-phenyl-7a,8,9,10-tetrahydro-11H-benzo[f]naphtho[1,8-bc]oxepin-11-one","","- C23 H18 O3 -","- C23 H18 O3 -","- C46 H36 O6 -","2","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0936","0.069","","","0.1395","0.1519","","","","","","1.101","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232099","13.4588","0.0005","9.4421","0.0003","20.9855","0.0009","90","","95.122","0.004","90","","2656.17","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-2-(2'H-naphtho[1,8-bc]furan-2'yl)cyclohex-2-en-1-one","","- C17 H14 O3 -","- C17 H14 O3 -","- C136 H112 O24 -","8","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.1099","0.0763","","","0.1853","0.2046","","","","","","1.198","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232100","37.3853","0.0007","37.3853","0.0007","11.2109","0.0002","90","","90","","120","","13569.8","0.4","120","2","120.01","0.1","","","","","","","","4","R -3 :H","-R 3","148","2","","","- C34 H34 Br2 O4 -","- C34 H34 Br2 O4 -","- C612 H612 Br36 O72 -","18","1","","Kennedy, Stuart R.; Main, Mawgan U.; Pulham, Colin R.; Ling, Irene; Dalgarno, Scott J.","A self-assembled nanotube supported by halogen bonding interactions","CrystEngComm","2019","21","5","786","","10.1039/C8CE01824C","","","0.71073","MoKα","","0.0876","0.0523","","","0.1054","0.1164","","","","","","1.088","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232101","10.007","0.0005","13.2653","0.0007","15.0577","0.0008","80.234","0.002","71.193","0.002","70.137","0.002","1775.5","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H43 Cl2 N4 O6 -","- C39 H43 Cl2 N4 O6 -","- C78 H86 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0782","0.0647","","","0.1758","0.1855","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232102","9.9312","0.0005","13.0381","0.0007","14.9669","0.0008","78.504","0.002","71.545","0.002","71.592","0.002","1733.59","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H40 Cl2 N4 O6 -","- C37.5 H40 Cl2 N4 O6 -","- C75 H80 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0765","0.0563","","","0.1497","0.1629","","","","","","1.044","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23","" "7232103","19.602","0.0017","10.4596","0.0009","15.8952","0.0014","90","","107.358","0.002","90","","3110.6","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cl2 N4 O6 -","- C34 H34 Cl2 N4 O6 -","- C136 H136 Cl8 N16 O24 -","4","0.5","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.054","0.0527","","","0.1516","0.1531","","","","","","1.042","","","","has coordinates","223481","2020-10-21","18:00:00","" "7232104","9.9249","0.0009","13.0873","0.0012","15.1023","0.0014","78.486","0.003","71.671","0.003","71.466","0.003","1754.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Cl2 N4 O6 -","- C38 H42 Cl2 N4 O6 -","- C76 H84 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0745","0.0625","","","0.1745","0.1851","","","","","","1.064","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23","" "7232105","9.9494","0.0007","13.0577","0.001","15.047","0.0011","78.907","0.002","71.437","0.002","70.82","0.002","1741.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H41 Cl2 N4 O6 -","- C38 H41 Cl2 N4 O6 -","- C76 H82 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0548","0.0479","","","0.1294","0.1344","","","","","","1.052","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23","" "7232106","9.9163","0.0005","13.1401","0.0007","14.9925","0.0008","78.987","0.002","71.536","0.002","71.106","0.002","1744.6","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Cl2 N4 O6 -","- C38 H42 Cl2 N4 O6 -","- C76 H84 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0644","0.0475","","","0.1214","0.1308","","","","","","1.041","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23","" "7232107","9.9369","0.0005","13.0256","0.0007","14.9773","0.0008","78.67","0.003","71.719","0.003","71.595","0.003","1736.34","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H41 Cl2 N4 O6 -","- C37.5 H41 Cl2 N4 O6 -","- C75 H82 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.1637","0.089","","","0.2211","0.2603","","","","","","1.046","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23","" "7232108","3.9611","0.0002","13.3377","0.0005","14.48","0.0005","90","","97.848","0.002","90","","757.84","0.05","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-dichlorobenzonitrile oxide","2,6-dichlorobenzonitrile-N-oxide","","- C7 H3 Cl2 N O -","- C7 H3 Cl2 N O -","- C28 H12 Cl8 N4 O4 -","4","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","1.54178","CuKα","","0.0396","0.0368","","","0.0944","0.0969","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232109","25.671","0.015","3.903","0.002","14.123","0.008","90","","106.068","0.006","90","","1359.8","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3-bromobenzonitrile oxide","3-bromobenzonitrile-N-oxide","","- C7 H4 Br N O -","- C7 H4 Br N O -","- C56 H32 Br8 N8 O8 -","8","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","0.71073","MoKα","","0.0693","0.0434","","","0.0989","0.1102","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232110","3.7857","0.001","12.616","0.003","15.632","0.004","90","","93.847","0.004","90","","744.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,3-dichlorobenzonitrile oxide","2,3-dichlorobenzonitrile-N-oxide","","- C7 H3 Cl2 N O -","- C7 H3 Cl2 N O -","- C28 H12 Cl8 N4 O4 -","4","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","0.71073","MoKα","","0.0277","0.0254","","","0.0595","0.0605","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232111","4.5995","0.0004","7.7964","0.0007","9.3711","0.0008","90","","101.201","0.001","90","","329.64","0.05","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","4-chlorobenzonitrile oxide","4-chlorobenzonitrile-N-oxide","","- C3.5 H2 Cl0.5 N0.5 O0.5 -","- C3.5 H2 Cl0.5 N0.5 O0.5 -","- C14 H8 Cl2 N2 O2 -","4","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","0.71073","MoKα","","0.0269","0.0244","","","0.0675","0.0698","","","","","","1.092","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232112","6.9929","0.0002","9.6745","0.0003","10.9094","0.0003","97.057","0.002","97.633","0.002","96.111","0.002","720.29","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H15 N2 -","- C18 H15 N2 -","- C36 H30 N4 -","2","1","","Mandal, Arkalekha; Swain, Pravasini; Nath, Bhaskar; Sau, Sudip; Mal, Prasenjit","Unipolar to ambipolar semiconductivity switching in charge transfer cocrystals of 2,7-di-tert-butylpyrene","CrystEngComm","2019","21","6","981","","10.1039/C8CE01806E","","","1.54184","CuKα","","0.0629","0.0585","","","0.1601","0.1667","","","","","","1.004","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232113","6.9689","0.0002","10.7206","0.0003","18.531","0.0004","97.772","0.002","100.438","0.002","107.389","0.003","1272.6","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","1","","Mandal, Arkalekha; Swain, Pravasini; Nath, Bhaskar; Sau, Sudip; Mal, Prasenjit","Unipolar to ambipolar semiconductivity switching in charge transfer cocrystals of 2,7-di-tert-butylpyrene","CrystEngComm","2019","21","6","981","","10.1039/C8CE01806E","","","1.54184","CuKα","","0.0856","0.0726","","","0.1471","0.1524","","","","","","0.996","","","","has coordinates","223594","2020-10-21","18:00:00","" "7232114","15.3925","0.0006","6.8374","0.0003","12.8802","0.0005","90","","93.087","0.003","90","","1353.61","0.1","296","2","296","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- C34 H28 N4 -","- C34 H28 N4 -","- C68 H56 N8 -","2","0.25","","Mandal, Arkalekha; Swain, Pravasini; Nath, Bhaskar; Sau, Sudip; Mal, Prasenjit","Unipolar to ambipolar semiconductivity switching in charge transfer cocrystals of 2,7-di-tert-butylpyrene","CrystEngComm","2019","21","6","981","","10.1039/C8CE01806E","","x-ray","1.54184","CuKα","","0.0572","0.046","","","0.149","0.1623","","","","","","1.126","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232115","7.9686","0.0006","8.6786","0.0006","11.2515","0.0008","95.505","0.006","106.522","0.006","113.65","0.007","663.5","0.1","277.3","0.1","277.3","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C9 H13 La O9.5 -","- C9 H13 La O9.5 -","- C18 H26 La2 O19 -","2","1","","Skoulika, Stavroula; Siskos, Michael G.; Michaelides, Adonis","2D to 3D solvent mediated transformation of a photoreactive lanthanum MOF: a case of three parallel photo-cycloaddition reactions","CrystEngComm","2019","21","7","1137","","10.1039/C8CE01983E","","","0.71073","MoKα","","0.042","0.0329","","","0.0475","0.0506","","","","","","1.01","","","","has coordinates","223657","2020-10-21","18:00:00","" "7232116","9.5953","0.0005","10.9758","0.0003","15.4396","0.0006","101.8","0.003","102.572","0.004","93.998","0.003","1542.37","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","4-Iodobenzoate-tin-tetraiodoporphrin","","","- C64 H46 I6 N4 O4 Sn -","- C64 H46 I6 N4 O4 Sn -","- C64 H46 I6 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0817","0.061","","","0.1766","0.1995","","","","","","1.027","","","","has coordinates","223651","2020-10-21","18:00:00","" "7232117","11.6409","0.0005","12.3154","0.0006","13.1057","0.0004","98.307","0.003","104.865","0.003","117.3","0.004","1536.72","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","4-Nitrobenzoate-tin-tetraiodoporphrin","","","- C60 H34 Cl6 I4 N6 O8 Sn -","- C60 H34 Cl6 I4 N6 O8 Sn -","- C60 H34 Cl6 I4 N6 O8 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0861","0.06","","","0.1786","0.2051","","","","","","1.087","","","","has coordinates,has disorder","223651","2020-10-21","18:00:00","" "7232118","11.2861","0.0004","11.7958","0.0003","13.3288","0.0003","103.991","0.002","95.327","0.002","111","0.002","1575.58","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","3-Nitrobenzoate-tin-tetraiodoporphrin","","","- C66 H52 I4 N6 O10 Sn -","- C66 H52 I4 N6 O10 Sn -","- C66 H52 I4 N6 O10 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0461","0.0363","","","0.0797","0.0839","","","","","","1.093","","","","has coordinates","223651","2020-10-21","18:00:00","" "7232119","8.0433","0.0004","12.3567","0.0006","15.1084","0.0009","69.576","0.005","85.741","0.004","87.539","0.004","1403.09","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","3-Iodobenzoate-tin-tetraiodoporphrin","","","- C58 H32 I6 N4 O4 Sn -","- C58 H32 I6 N4 O4 Sn -","- C58 H32 I6 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0584","0.0465","","","0.1269","0.1358","","","","","","1.084","","","","has coordinates","223651","2020-10-21","18:00:00","" "7232120","8.8373","0.0005","10.7391","0.0006","14.9694","0.0009","98.367","0.005","101.545","0.005","96.724","0.004","1361.35","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","3,5-Dichloromobenzoate-tin-tetraiodoporphrin","","","- C58 H30 Cl4 I4 N4 O4 Sn -","- C58 H30 Cl4 I4 N4 O4 Sn -","- C58 H30 Cl4 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0864","0.0588","","","0.1507","0.1655","","","","","","1.021","","","","has coordinates","223651","2020-10-21","18:00:00","" "7232121","8.8374","0.0007","10.7088","0.0006","15.0404","0.0011","98.727","0.005","101.652","0.006","96.887","0.006","1361.15","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","3,5-Dibromobenzoate-tin-tetraiodoporphrin","","","- C58 H30 Br4 I4 N4 O4 Sn -","- C58 H30 Br4 I4 N4 O4 Sn -","- C58 H30 Br4 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.1335","0.0699","","","0.1521","0.1709","","","","","","1.037","","","","has coordinates","223651","2020-10-21","18:00:00","" "7232122","9.64","0.0005","10.8143","0.0006","15.1088","0.0007","100.646","0.004","102.72","0.004","93.71","0.004","1500.84","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","4-Bromobenzoate-tin-tetraiodoporphrin","","","- C64 H46 Br2 I4 N4 O4 Sn -","- C64 H46 Br2 I4 N4 O4 Sn -","- C64 H46 Br2 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.091","0.0599","","","0.1662","0.1831","","","","","","1.076","","","","has coordinates","223651","2020-10-21","18:00:00","" "7232123","14.2058","0.0003","17.3651","0.0005","11.8806","0.0003","90","","97.847","0.002","90","","2903.32","0.13","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3,5-Difluoromobenzoate-tin-tetraiodoporphrin","","","- C60 H36 F4 I4 N4 O5 S Sn -","- C60 H36 F4 I4 N4 O5 S Sn -","- C120 H72 F8 I8 N8 O10 S2 Sn2 -","2","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0699","0.0542","","","0.1647","0.1756","","","","","","1.031","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23","" "7232124","17.008","0.002","10.0083","0.001","19.248","0.002","90","","108.513","0.01","90","","3106.9","0.6","299","2","299","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Cocrystal between 1,2-bis(iodoethynyl)benzene and 4-stilbazole","","","- C18 H13 I N -","- C18 H13 I N -","- C144 H104 I8 N8 -","8","1","","Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H.","Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene","CrystEngComm","2019","21","6","990","","10.1039/C8CE01984C","","","0.71073","MoKα","","0.0435","0.0277","","","0.0619","0.0707","","","","","","1.013","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232125","7.5641","0.0012","8.3619","0.0012","17.5","0.003","94.126","0.008","96.466","0.008","106.153","0.007","1050.2","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Cocrystal between 1,2-bis(iodoethynyl)benzene and trans-1,2-bis(4-pyridyl)ethyne","","","- C22 H12 I2 N2 -","- C22 H12 I2 N2 -","- C44 H24 I4 N4 -","2","1","","Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H.","Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene","CrystEngComm","2019","21","6","990","","10.1039/C8CE01984C","","","0.71073","MoKα","","0.0557","0.0339","","","0.0847","0.0958","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232126","12.8031","0.0015","9.5117","0.0013","17.856","0.003","90","","107.973","0.008","90","","2068.4","0.5","298","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cocrystal between 1,2-bis(iodoethynyl)benzene and trans-1,2-bis(4-pyridyl)ethene","","","- C22 H14 I2 N2 -","- C22 H14 I2 N2 -","- C88 H56 I8 N8 -","4","0.5","","Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H.","Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene","CrystEngComm","2019","21","6","990","","10.1039/C8CE01984C","","","0.71073","MoKα","","0.2029","0.0862","","","0.188","0.2472","","","","","","0.971","","","","has coordinates","223598","2020-10-21","18:00:00","" "7232127","12.9604","0.0018","6.4988","0.0009","10.5705","0.0015","90","","90","","90","","890.3","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- O5 P Rb0.94 Ta0.06 Ti0.94 -","- O5 P Rb0.9375 Ta0.0625 Ti0.9375 -","- O40 P8 Rb7.5 Ta0.5 Ti7.5 -","8","2","","Li, Ziqing; Zhu, Pengfei; Chen, Yang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Jiang, Huaidong","Single crystal structure and optical properties of nonlinear optical crystal Rb0.94Ti0.94Ta0.06OPO4","CrystEngComm","2019","21","10","1570","","10.1039/C8CE01724G","","","0.71073","MoKα","","0.0638","0.0572","","","0.1535","0.1588","","","","","","1.083","","","","has coordinates,has disorder","223483","2020-10-21","18:00:00","" "7232128","12.9584","0.0018","6.4968","0.0009","10.5615","0.0015","90","","90","","90","","889.2","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- O5 P Rb0.9 Ta0.1 Ti0.9 -","- O5 P Rb0.8995 Ta0.1005 Ti0.8995 -","- O40 P8 Rb7.196 Ta0.804 Ti7.196 -","8","2","","Li, Ziqing; Zhu, Pengfei; Chen, Yang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Jiang, Huaidong","Single crystal structure and optical properties of nonlinear optical crystal Rb0.94Ti0.94Ta0.06OPO4","CrystEngComm","2019","21","10","1570","","10.1039/C8CE01724G","","","1.54178","CuKα","","0.1183","0.118","","","0.3064","0.3065","","","","","","1.154","","","","has coordinates,has disorder","223483","2020-10-21","18:00:00","" "7232129","7.988","0.0006","5.7019","0.0005","11.3808","0.0008","90","","97.745","0.007","90","","513.63","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cl4 Co H14 N4 O2 -","- Cl4 Co H14 N4 O2 -","- Cl8 Co2 H28 N8 O4 -","2","0.5","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","0.71073","MoKα","","0.0429","0.0311","","","0.0548","0.0602","","","","","","1.05","","","","has coordinates","223546","2020-10-21","18:00:00","" "7232130","7.5839","0.0003","9.1752","0.0004","15.0656","0.0006","89.821","0.004","84.447","0.003","75.697","0.004","1010.82","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Cl16 H54 Mn3 N20 O2 -","- Cl16 H54 Mn3 N20 O2 -","- Cl16 H54 Mn3 N20 O2 -","1","0.5","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","1.54184","CuKα","","0.0341","0.0316","","","0.0795","0.0818","","","","","","1.05","","","","has coordinates","223546","2020-10-21","18:00:00","" "7232131","8.9779","0.0004","10.9705","0.0004","11.7726","0.0005","90","","94.423","0.004","90","","1156.05","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl5 H15 Mn N6 -","- Cl5 H15 Mn N6 -","- Cl20 H60 Mn4 N24 -","4","1","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","0.71073","MoKα","","0.0403","0.0323","","","0.0757","0.0801","","","","","","1.044","","","","has coordinates","223546","2020-10-21","18:00:00","" "7232132","5.5411","0.0001","13.9707","0.0003","9.963","0.0003","90","","92.648","0.002","90","","770.44","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cl3 H9 Mn N2 O2 -","- Cl3 H9 Mn N2 O2 -","- Cl12 H36 Mn4 N8 O8 -","4","1","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","1.54184","CuKα","","0.0297","0.027","","","0.066","0.0688","","","","","","1.065","","","","has coordinates","223546","2020-10-21","18:00:00","" "7232133","3.7868","0.0006","5.6827","0.0009","8.7079","0.0011","99.853","0.012","98.563","0.012","91.568","0.013","182.3","0.05","150","0.4","150","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C2 H10 Cl2 Cu N2 O2 -","- C2 H10 Cl2 Cu N2 O2 -","- C2 H10 Cl2 Cu N2 O2 -","1","0.5","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","1.54184","CuKα","","0.0331","0.0314","","","0.0806","0.0844","","","","","","1.096","","","","has coordinates","223546","2020-10-21","18:00:00","" "7232134","13.4813","0.0004","8.2397","0.0003","6.9346","0.0002","90","","90","","90","","770.31","0.04","100","2","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","DBN-CO2","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0459","0.0448","","","0.1153","0.1162","","","","","","1.12","","","","has coordinates","224637","2020-10-21","18:00:00","" "7232135","10.9982","0.0001","9.2785","0.0001","14.3717","0.0002","90","","105.714","0.001","90","","1411.77","0.03","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H23 N3 O2 -","- C13 H23 N3 O2 -","- C52 H92 N12 O8 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0547","0.0398","","","0.0956","0.1038","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232136","9.3632","0.0001","18.2488","0.0002","8.129","0.0001","90","","114.812","0.0007","90","","1260.76","0.03","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 N3 O2 -","- C12 H21 N3 O2 -","- C48 H84 N12 O8 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0475","0.0417","","","0.1073","0.1115","","","","","","1.096","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23","" "7232137","9.9385","0.0002","10.0425","0.0002","24.7502","0.0004","90","","90","","90","","2470.25","0.08","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N3 -","- C13 H19 N3 -","- C104 H152 N24 -","8","2","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.046","0.0446","","","0.1198","0.1212","","","","","","1.064","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232138","7.7428","0.0006","11.1556","0.0009","10.4925","0.0008","90","","98.844","0.001","90","","895.52","0.12","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[DBNH][HCO3]","","- C8 H14 N2 O3 -","- C8 H14 N2 O3 -","- C32 H56 N8 O12 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0412","0.0385","","","0.0956","0.0977","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232139","8.1469","0.0001","10.0659","0.0001","12.9174","0.0002","90","","104.799","0.001","90","","1024.16","0.02","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[MTBDH][HCO3]","","- C9 H17 N3 O3 -","- C9 H17 N3 O3 -","- C36 H68 N12 O12 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0448","0.0382","","","0.0959","0.0999","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232140","12.5296","0.0002","8.0939","0.0001","19.7181","0.0004","90","","98.5378","0.0012","90","","1977.52","0.06","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 N3 -","- C23 H29 N3 -","- C92 H116 N12 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0665","0.0499","","","0.1284","0.1379","","","","","","1.032","","","","has coordinates,has disorder","224637","2020-10-21","18:00:00","" "7232141","14.3302","0.0002","9.2194","0.0001","12.9756","0.0002","90","","104.588","0.0006","90","","1659.02","0.04","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 N3 O2 -","- C16 H29 N3 O2 -","- C64 H116 N12 O8 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0387","0.0368","","","0.1011","0.1027","","","","","","1.057","","","","has coordinates","224637","2020-10-21","18:00:00","" "7232142","10.3765","0.0001","13.1188","0.0002","11.2806","0.0002","90","","114.605","0.0006","90","","1396.17","0.04","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H23 N3 O2 -","- C13 H23 N3 O2 -","- C52 H92 N12 O8 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0426","0.042","","","0.1128","0.1135","","","","","","1.06","","","","has coordinates","224637","2020-10-21","18:00:00","" "7232143","15.2506","0.0003","10.8267","0.0002","10.8569","0.0002","90","","90.09","0.001","90","","1792.62","0.06","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 B F4 N3 -","- C15 H30 B F4 N3 -","- C60 H120 B4 F16 N12 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0437","0.0416","","","0.1054","0.1065","","","","","","1.085","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232144","6.6679","0.0003","14.6889","0.0005","9.6025","0.0004","90","","104.13","0.0018","90","","912.05","0.06","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N3 O2 -","- C8 H13 N3 O2 -","- C32 H52 N12 O8 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0416","0.0391","","","0.1085","0.111","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232145","14.6071","0.0002","41.9109","0.0007","14.5422","0.0002","90","","117.159","0.001","90","","7921.1","0.2","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H31.5 N3 O2 -","- C19.5 H31.5 N3 O2 -","- C312 H504 N48 O32 -","16","4","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0577","0.0497","","","0.1188","0.1241","","","","","","1.057","","","","has coordinates,has disorder","224637","2020-10-21","18:00:00","" "7232146","11.8565","0.0005","11.8565","0.0005","24.0309","0.0013","90","","90","","90","","3378.2","0.3","100","2","100","","","","","","","","","4","P 41","P 4w","76","","","","- C16 H29 N3 O2 -","- C16 H29 N3 O2 -","- C128 H232 N24 O16 -","8","2","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0418","0.0366","","","0.0741","0.0763","","","","","","1.072","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23","" "7232153","17.5338","0.0008","10.4983","0.0005","28.7697","0.0011","90","","90","","90","","5295.8","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13.2 H9.8 I2 N4.6 -","- C8 H2 I2 N2 -","- C128 H32 I32 N32 -","16","4","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.0552","0.0424","","","0.1042","0.1122","","","","","","1.081","","","","has coordinates","223654","2020-10-21","18:00:00","" "7232154","4.3229","0.0014","13.047","0.004","29.586","0.009","90.19","0.008","91.77","0.008","95.024","0.008","1661.4","0.9","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C9.2 H3.8 I2 N2.6 -","- C8 H2 I2 N2 -","- C48 H12 I12 N12 -","6","3","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.1134","0.0976","","","0.1899","0.1958","","","","","","1.207","","","","has coordinates","223654","2020-10-21","18:00:00","" "7232155","4.2425","0.0006","23.537","0.004","24.567","0.004","111.725","0.005","94.131","0.005","93.861","0.005","2261.3","0.6","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H5 I2 N3 -","- C8 H2 I2 N2 -","- C48 H12 I12 N12 -","6","3","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.1182","0.1002","","","0.2535","0.269","","","","","","1.045","","","","has coordinates","223654","2020-10-21","18:00:00","" "7232156","13.9441","0.0006","35.2209","0.0015","8.2173","0.0003","90","","90.331","0.001","90","","4035.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H0 I2 N2 -","- C8 H2 I2 N2 -","- C128 H32 I32 N32 -","16","4","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.0401","0.0354","","","0.083","0.0856","","","","","","1.107","","","","has coordinates,has disorder","223654","2020-10-21","18:00:00","" "7232157","4.338","0.001","18.327","0.004","18.018","0.004","90","","91.705","0.007","90","","1431.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H3 Cl3 I2 N2 -","- C9 H3 Cl3 I2 N2 -","- C36 H12 Cl12 I8 N8 -","4","1","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.1155","0.1024","","","0.2611","0.2683","","","","","","1.294","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232158","10.465","0.002","15.416","0.003","18.321","0.004","90","","103.26","0.03","90","","2876.9","1.1","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 N2 O3 -","- C37 H28 N2 O3 -","- C148 H112 N8 O12 -","4","1","","Zhang, Yuecheng; Yuan, Longfei; Jia, Shang; Liu, Xiao; Zhao, Jiquan; Yin, Guohui","Dicyanovinyl substituted push-pull chromophores: effects of central C[double bond, length as m-dash]C/phenyl spacers, crystal structures and application in hydrazine sensing.","Physical chemistry chemical physics : PCCP","2019","21","6","3218","3226","10.1039/c8cp07127f","","","0.71073","MoKα","","0.0991","0.0705","","","0.1669","0.1854","","","","","","1.087","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232159","7.777","0.0016","17.853","0.004","12.949","0.003","90","","101.44","0.03","90","","1762.2","0.7","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C92 H64 N8 O4 -","4","1","","Zhang, Yuecheng; Yuan, Longfei; Jia, Shang; Liu, Xiao; Zhao, Jiquan; Yin, Guohui","Dicyanovinyl substituted push-pull chromophores: effects of central C[double bond, length as m-dash]C/phenyl spacers, crystal structures and application in hydrazine sensing.","Physical chemistry chemical physics : PCCP","2019","21","6","3218","3226","10.1039/c8cp07127f","","","0.71073","MoKα","","0.0629","0.0441","","","0.1056","0.1167","","","","","","0.967","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232160","8.1645","0.0016","17.838","0.004","13.102","0.003","90","","104.42","0.03","90","","1848","0.7","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C92 H80 N8 O4 -","4","1","","Zhang, Yuecheng; Yuan, Longfei; Jia, Shang; Liu, Xiao; Zhao, Jiquan; Yin, Guohui","Dicyanovinyl substituted push-pull chromophores: effects of central C[double bond, length as m-dash]C/phenyl spacers, crystal structures and application in hydrazine sensing.","Physical chemistry chemical physics : PCCP","2019","21","6","3218","3226","10.1039/c8cp07127f","","","0.71073","MoKα","","0.0809","0.0567","","","0.1294","0.1424","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:23","" "7232169","12.5982","0.0013","13.295","0.003","13.5974","0.0012","114.779","0.015","99.377","0.009","100.412","0.012","1959.7","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H91 Mo12 N12 Na O66 P8 -","- C24 H91 Mo12 N12 Na O66 P8 -","- C24 H91 Mo12 N12 Na O66 P8 -","1","0.5","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.1233","0.0632","","","0.0968","0.1329","","","","","","1.023","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24","" "7232170","27.133","0.002","12.3372","0.0011","15.5056","0.0012","90","","123.224","0.007","90","","4342","0.7","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C39 H61.5 Mo12 N6 Na3.5 O66 P8 -","- C26 H33 Mo12 N4 Na3.5 O64 P8 -","- C52 H66 Mo24 N8 Na7 O128 P16 -","2","0.25","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0709","0.0565","","","0.137","0.1506","","","","","","1.049","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00","" "7232171","14.6598","0.0004","13.3538","0.0004","22.0021","0.0006","90","","103.869","0.003","90","","4181.6","0.2","293","2","293","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C20 H68 Mn2.5 Mo12 N8 Na2 O71.5 P8 -","- C20 H36 Mn2.5 Mo12 N8 Na2 O71.5 P8 -","- C40 H72 Mn5 Mo24 N16 Na4 O143 P16 -","2","1","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0564","0.0455","","","0.0912","0.0974","","","","","","1.231","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00","" "7232172","13.3983","0.0001","13.3983","0.0001","38.3301","0.0008","90","","90","","90","","6880.81","0.16","295","2","295","2","","","","","","","","8","P 43 2 2","P 4cw 2c","95","","","","- C3 H58 Mn2.5 Mo12 N5.5 Na4.5 O72.5 P8 -","- C3 H39 Mn2.5 Mo12 N5.5 Na4.5 O72.5 P8 -","- C12 H156 Mn10 Mo48 N22 Na18 O290 P32 -","4","0.5","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0304","0.0283","","","0.0741","0.0751","","","","","","1.056","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00","" "7232173","16.333","0.002","21.724","0.003","21.913","0.003","90","","92.836","0.002","90","","7765.6","1.8","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H80 Mn2 Mo12 N7 Na O68 P8 -","- H14 Mn2 Mo12 Na O63 P8 -","- H56 Mn8 Mo48 Na4 O252 P32 -","4","1","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0411","0.0298","","","0.0589","0.0623","","","","","","1.02","","","","has coordinates","223596","2020-10-21","18:00:00","" "7232174","13.262","0.003","13.36","0.003","22.492","0.005","99.302","0.003","90.283","0.003","103.365","0.003","3822.5","1.5","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C13 H80.5 Cu0.25 Mo12 N6.5 Na4.75 O70 P8 -","- C13 H40 Cu0.25 Mo12 N6.5 Na4.75 O70 P8 -","- C26 H80 Cu0.5 Mo24 N13 Na9.5 O140 P16 -","2","1","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.1819","0.0743","","","0.1256","0.1577","","","","","","1.034","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00","" "7232175","10.8693","0.0008","19.0667","0.0016","11.8343","0.0009","90","","102.11","0.002","90","","2398","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N O3 -","- C27 H31 N O3 -","- C108 H124 N4 O12 -","4","1","","Chen, Ke; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Metal-free synthesis of triarylated (Z)-nitrones via H2O-mediated 1,3-dipolar transfer under aerobic conditions","Green Chemistry","2019","21","3","675","","10.1039/C8GC03593H","","","0.71073","MoKα","","0.0863","0.0432","","","0.0886","0.0986","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232185","10.9801","0.0009","10.9801","0.0009","38.5568","0.0012","90","","90","","120","","4025.7","0.5","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca6.983 O28 Pb3.517 V7 -","- Ca6.982 O28 Pb3.5185 V7 -","- Ca41.892 O168 Pb21.111 V42 -","6","0.333333","","Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I.","Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9","CrystEngComm","2019","21","8","1309","","10.1039/C8CE01843J","","x-ray","0.71069","MoKα","","0.0393","0.0347","","","0.0456","0.047","","","","1.02","1.02","1.01","","","","has coordinates","223525","2020-10-21","18:00:00","" "7232186","11.0594","0.0011","11.0594","0.0011","38.8813","0.0014","90","","90","","120","","4118.5","0.6","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca5.606 O28 Pb4.894 V7 -","- Ca5.605 O28 Pb4.895 V7 -","- Ca33.63 O168 Pb29.37 V42 -","6","0.333333","","Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I.","Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9","CrystEngComm","2019","21","8","1309","","10.1039/C8CE01843J","","x-ray","0.71075","MoKα","","0.0488","0.0378","","","0.0472","0.0497","","","","1.09","1.09","1.04","","","","has coordinates","223525","2020-10-21","18:00:00","" "7232187","10.922","0.0002","10.922","0.0002","38.3133","0.0009","90","","90","","120","","3958.08","0.14","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca8.649 O28 Pb1.851 V7 -","- Ca8.6491 O28 Pb1.851 V7 -","- Ca51.8946 O168 Pb11.106 V42 -","6","0.333333","","Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I.","Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9","CrystEngComm","2019","21","8","1309","","10.1039/C8CE01843J","","x-ray","0.71075","MoKα","","0.0794","0.0484","","","0.0368","0.0455","","","","1.04","1.04","1.03","","","","has coordinates","223525","2020-10-21","18:00:00","" "7232188","10.1313","0.0017","10.1313","0.0017","10.1351","0.0017","90","","90","","120","","900.9","0.3","300","","300","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C62 H2 Br2 Cl4 -","- C1.99992 H1.99992 Br2.00016 Cl4.00032 Sp -","- C1.99992 H1.99992 Br2.00016 Cl4.00032 Sp -","1","0.0416667","","Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís","Ordered and disordered solvates of C60 and CBrCl2H","CrystEngComm","2019","21","7","1180","","10.1039/C8CE02150C","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","7.7596","","","","","","","","has coordinates","223652","2020-10-21","18:00:00","" "7232189","10.14","0.003","31.233","0.009","10.122","0.003","90","","90.21","0.02","90","","3205.6","1.6","295","1","295","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C61 H Br Cl2 -","- C61 H Br Cl2 -","- C244 H4 Br4 Cl8 -","4","0.5","","Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís","Ordered and disordered solvates of C60 and CBrCl2H","CrystEngComm","2019","21","7","1180","","10.1039/C8CE02150C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","223652","2020-10-21","18:00:00","" "7232190","15.071","0.003","17.319","0.004","18.468","0.004","90","","96.99","0.03","90","","4784.6","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 Cu2 N14 -","- C56 H42 Cu2 N14 -","- C224 H168 Cu8 N56 -","4","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.0872","0.0458","","","0.1051","0.1265","","","","","","1.015","","","","has coordinates","223524","2020-10-21","18:00:00","" "7232191","11.089","0.007","8.79","0.005","15.236","0.009","90","","102.882","0.011","90","","1447.7","1.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H5 Cu N3 -","- C7 H5 Cu N3 -","- C56 H40 Cu8 N24 -","8","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.0381","0.0291","","","0.0761","0.0802","","","","","","1.064","","","","has coordinates","223524","2020-10-21","18:00:00","" "7232192","8.8138","0.0018","15.406","0.003","12.203","0.002","90","","94.92","0.03","90","","1650.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cu2 N6 -","- C16 H14 Cu2 N6 -","- C64 H56 Cu8 N24 -","4","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.039","0.0295","","","0.0754","0.08","","","","","","1.06","","","","has coordinates","223524","2020-10-21","18:00:00","" "7232193","8.0872","0.0005","10.2331","0.0006","23.4179","0.0013","88.45","0.001","80.956","0.001","86.568","0.001","1910.17","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 Cu3 N16 -","- C34 H42 Cu3 N16 -","- C68 H84 Cu6 N32 -","2","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.0766","0.0447","","","0.097","0.1096","","","","","","1.012","","","","has coordinates","223524","2020-10-21","18:00:00","" "7232194","13.0156","0.0006","14.3792","0.0007","12.3581","0.0006","90","","90","","90","","2312.87","0.19","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16.62 H18 Cu4 N10.38 -","- C16.62 H18 Cu4 N10.38 -","- C66.48 H72 Cu16 N41.52 -","4","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.059","0.0372","","","0.0793","0.0881","","","","","","1.015","","","","has coordinates","223524","2020-10-21","18:00:00","" "7232195","6.4341","0.0011","4.6151","0.0003","10.5313","0.0007","90","","100.73","0.01","90","","307.25","0.06","296.15","","296.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","p-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0419","0.0339","","","0.0742","0.0769","","","","","","1.174","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232196","6.4003","0.0011","4.5981","0.0004","10.4452","0.0015","90","","100.748","0.014","90","","302","0.07","295.01","","295.01","","","","","","","","","4","P 1 n 1","P -2yac","7","","p-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0334","0.0276","","","0.0628","0.0644","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232197","6.4342","0.001","4.6146","0.0004","10.5397","0.001","90","","100.667","0.009","90","","307.53","0.06","296.15","","296.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","p-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0559","0.041","","","0.0915","0.1066","","","","","","1.108","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232198","6.4551","0.0005","4.674","0.0004","10.547","0.0009","90","","100.754","0.003","90","","312.63","0.04","100","2","99.82","","","","","","","","","4","P 1 n 1","P -2yac","7","","4-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","","1.54178","CuKα","","0.0297","0.0287","","","0.0727","0.073","","","","","","1.106","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232199","6.5086","0.0005","4.6661","0.0004","10.7596","0.0008","90","","100.685","0.001","90","","321.1","0.04","295","","295.03","","","","","","","","","4","P 1 n 1","P -2yac","7","","4-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0458","0.0408","","","0.1107","0.1154","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232200","9.594","0.0002","11.0586","0.0003","21.6374","0.0005","90","","93.293","0.002","90","","2291.86","0.09","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","((5-chloro-1H-indol-3-yl)(4-chlorophenyl)methyl)diphenylphosphine oxide","","- C27 H20 Cl2 N O P -","- C27 H20 Cl2 N O P -","- C108 H80 Cl8 N4 O4 P4 -","4","1","","Pan, Jiaoting; Zhao, Runmin; Guo, Jiami; Ma, Dumei; Xia, Ying; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen","Three-component 3-(phosphoryl)methylindole synthesis from indoles, H-phosphine oxides and carbonyl compounds under metal-free conditions","Green Chemistry","2019","21","4","792","","10.1039/C8GC03530J","","x-ray","1.54184","CuKα","","0.053","0.0484","","","0.1261","0.1323","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232201","8.6081","0.0001","16.0745","0.0002","18.0657","0.0002","90","","99.465","0.001","90","","2465.74","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(5-chloro-3-(1-phenylbutyl)-1H-indol-2-yl)diphenylphosphine oxide","","- C30 H27 Cl N O P -","- C30 H27 Cl N O P -","- C120 H108 Cl4 N4 O4 P4 -","4","1","","Pan, Jiaoting; Zhao, Runmin; Guo, Jiami; Ma, Dumei; Xia, Ying; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen","Three-component 3-(phosphoryl)methylindole synthesis from indoles, H-phosphine oxides and carbonyl compounds under metal-free conditions","Green Chemistry","2019","21","4","792","","10.1039/C8GC03530J","","x-ray","1.54184","CuKα","","0.0817","0.0738","","","0.1859","0.2001","","","","","","1.0309","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232202","10.672","0.003","10.887","0.003","25.613","0.002","94.871","0.012","97.871","0.011","94.413","0.015","2925.3","1.2","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C42 H44 Ba Cl8 Fe2 O6 S8 -","- C42 H44 Ba Cl8 Fe2 O6 S8 -","- C84 H88 Ba2 Cl16 Fe4 O12 S16 -","2","1","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","x-ray","0.71073","MoKα","","0.134","0.0763","","","0.1412","0.1668","","","","","","1.115","","","","has coordinates","223659","2020-10-21","18:00:00","" "7232203","7.5364","0.0007","9.164","0.0009","24.2084","0.0018","90","","91.334","0.004","90","","1671.5","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NG18_LT","","","- C14 H14 Fe K O S4 -","- C14 H14 Fe K O S4 -","- C56 H56 Fe4 K4 O4 S16 -","4","1","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","","0.71073","MoKα","","0.0329","0.0291","","","0.0629","0.0643","","","","","","1.043","","","","has coordinates","223659","2020-10-21","18:00:00","" "7232204","10.9301","0.0005","13.295","0.0008","14.7803","0.0008","63.606","0.002","76.591","0.002","69.262","0.002","1792.14","0.17","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H76 Cl8 Fe Ni2 O10 S8 -","- C56 H76 Cl8 Fe Ni2 O10 S8 -","- C56 H76 Cl8 Fe Ni2 O10 S8 -","1","0.5","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","","0.71073","","","0.0487","0.0345","","","0.1033","0.1262","","","","","","1.07","","","","has coordinates","223659","2020-10-21","18:00:00","" "7232205","12.7382","0.0014","13.0035","0.0011","21.73","0.004","86.715","0.012","89.542","0.012","63.187","0.012","3206.5","0.8","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C45 H56 Ca Cl8 Fe2 O10 S8 -","- C45 H56 Ca Cl8 Fe2 O10 S8 -","- C90 H112 Ca2 Cl16 Fe4 O20 S16 -","2","1","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","x-ray","0.71073","MoKα","","0.1119","0.0656","","","0.1477","0.1779","","","","","","1.084","","","","has coordinates","223659","2020-10-21","18:00:00","" "7232206","10.6545","0.0003","11.3055","0.0003","14.3597","0.0004","93.025","0.002","111.05","0.002","98.246","0.002","1587.36","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H56 Cl8 Fe3 O10 S8 -","- C48 H56 Cl8 Fe3 O10 S8 -","- C48 H56 Cl8 Fe3 O10 S8 -","1","0.5","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","x-ray","0.71073","MoKα","","0.0829","0.0631","","","0.2013","0.2165","","","","","","1.096","","","","has coordinates","223659","2020-10-21","18:00:00","" "7232207","13.7557","0.0004","13.7884","0.0004","14.2273","0.0004","94.417","0.002","112.471","0.001","105.827","0.001","2348.67","0.12","200","2","200","2","","","","","","","","7","P -1","-P 1","2","DH194_transp_200K","","","- C34 H37 Cl7 K O6 S6 Zn3 -","- C34 H37 Cl7 K O6 S6 Zn3 -","- C68 H74 Cl14 K2 O12 S12 Zn6 -","2","1","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","","0.71073","MoKα","","0.104","0.0528","","","0.1436","0.1798","","","","","","1.08","","","","has coordinates","223659","2020-10-21","18:00:00","" "7232208","9.968","0.0012","13.477","0.001","14.244","0.0009","108.073","0.006","109.857","0.007","93.674","0.008","1679.9","0.3","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H50 Cl8 Fe2 N6 O6 S8 Zn -","- C42 H50 Cl8 Fe2 N6 O6 S8 Zn -","- C42 H50 Cl8 Fe2 N6 O6 S8 Zn -","1","0.5","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","x-ray","0.71073","MoKα","","0.1039","0.0548","","","0.0991","0.1153","","","","","","1.071","","","","has coordinates","223659","2020-10-21","18:00:00","" "7232209","8.3674","0.0003","9.8399","0.0005","10.6622","0.0005","93.296","0.004","93.021","0.004","101.21","0.004","857.86","0.07","130","0.1","130","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N3 O Se -","- C20 H19 N3 O Se -","- C40 H38 N6 O2 Se2 -","2","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0377","0.0293","","","0.0683","0.0721","","","","","","0.992","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232210","10.1249","0.0002","15.9246","0.0003","11.466","0.0002","90","","106.572","0.002","90","","1771.93","0.06","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O Se -","- C20 H23 N3 O Se -","- C80 H92 N12 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","1.54184","CuKα","","0.0308","0.0258","","","0.0626","0.0657","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232211","10.161","0.0002","16.0506","0.0003","11.43","0.0002","90","","104.622","0.002","90","","1803.75","0.06","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O Se -","- C21 H24 N2 O Se -","- C84 H96 N8 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","1.54184","CuKα","","0.0378","0.0329","","","0.0819","0.0849","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232212","17.371","0.004","5.308","0.0011","11.633","0.002","90","","90","","90","","1072.6","0.4","100","0.2","100","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H8 N2 O Se -","- C14 H8 N2 O Se -","- C56 H32 N8 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","","0.71092","Synchrotron","","0.0279","0.0271","","","0.0746","0.0751","","","","","","1.129","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232213","11.7848","0.0003","4.5869","0.0001","21.3572","0.0005","90","","90","","90","","1154.48","0.05","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H11 N O Se -","- C14 H11 N O Se -","- C56 H44 N4 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0452","0.0331","","","0.0761","0.0793","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232214","20.7476","0.0009","4.9407","0.0002","17.6687","0.0007","90","","107.376","0.004","90","","1728.53","0.13","130.01","0.1","130.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O Se -","- C19 H13 N3 O Se -","- C76 H52 N12 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","1.54184","CuKα","","0.0422","0.0346","","","0.0908","0.0955","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232215","9.6002","0.0004","10.2109","0.0004","19.838","0.0007","78.71","0.003","84.901","0.003","77.458","0.004","1859.33","0.13","130","0.1","130","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N3 O Se -","- C21 H21 N3 O Se -","- C84 H84 N12 O4 Se4 -","4","2","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0903","0.0448","","","0.0903","0.112","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232216","8.8093","0.0002","10.7445","0.0002","10.9812","0.0002","111.687","0.002","109.283","0.002","96.631","0.002","877.57","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N4 O Se -","- C21 H18 N4 O Se -","- C42 H36 N8 O2 Se2 -","2","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0567","0.0358","","","0.0823","0.0872","","","","","","1.07","","","","has coordinates","223484","2020-10-21","18:00:00","" "7232217","9.6254","0.0002","10.2486","0.0002","10.6505","0.0002","83.66","0.002","76.398","0.002","78.423","0.002","998.19","0.04","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N3 O2 Se -","- C21 H23 N3 O2 Se -","- C42 H46 N6 O4 Se2 -","2","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.116","0.0456","","","0.1004","0.1219","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232225","7.2451","0.001","7.8674","0.001","16.65","0.002","87.647","0.009","86.278","0.009","83.882","0.009","941.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-oxo-3,4-dichloro-2,5-dihydrofuran-5-ylsulfonyl) ethanoic acid","","- C6 H4 Cl2 O6 S -","- C6 H4 Cl2 O6 S -","- C24 H16 Cl8 O24 S4 -","4","2","","Lodochnikova, Olga A.; Latypova, Liliya Z.; Madzhidov, Timur I.; Chmutova, Galina A.; Voronina, Julia K.; Gubaidullin, Aidar T.; Kurbangalieva, Almira R.","“Lp⋯synthon” interaction as a reason for the strong amplification of synthon-forming hydrogen bonds","CrystEngComm","2019","21","9","1499","","10.1039/C8CE01982G","","x-ray","0.71073","MoKα","","0.0357","0.0304","","","0.073","0.076","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232226","7.7319","0.0005","9.613","0.0007","13.2774","0.0009","90","","96.761","0.002","90","","980","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-oxo-3,4-dichloro-2,5-dihydrofuran-5-ylsulfonyl) ethanoic acid","","- C6 H4 Cl2 O6 S -","- C6 H4 Cl2 O6 S -","- C24 H16 Cl8 O24 S4 -","4","1","","Lodochnikova, Olga A.; Latypova, Liliya Z.; Madzhidov, Timur I.; Chmutova, Galina A.; Voronina, Julia K.; Gubaidullin, Aidar T.; Kurbangalieva, Almira R.","“Lp⋯synthon” interaction as a reason for the strong amplification of synthon-forming hydrogen bonds","CrystEngComm","2019","21","9","1499","","10.1039/C8CE01982G","","x-ray","0.71073","MoKα","","0.0238","0.0226","","","0.0574","0.0585","","","","","","1.082","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232227","7.953","0.007","9.744","0.008","13.366","0.011","90","","97.174","0.01","90","","1027.7","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3,4-Dibromo-2-oxo-2,5-dihydrofuran-5-ylsulfonyl)ethanoic acid","","- C6 H4 Br2 O6 S -","- C6 H4 Br2 O6 S -","- C24 H16 Br8 O24 S4 -","4","1","","Lodochnikova, Olga A.; Latypova, Liliya Z.; Madzhidov, Timur I.; Chmutova, Galina A.; Voronina, Julia K.; Gubaidullin, Aidar T.; Kurbangalieva, Almira R.","“Lp⋯synthon” interaction as a reason for the strong amplification of synthon-forming hydrogen bonds","CrystEngComm","2019","21","9","1499","","10.1039/C8CE01982G","","x-ray","0.71073","MoKα","","0.0432","0.0307","","","0.0659","0.0704","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232228","15.0421","0.0005","11.2751","0.0004","15.5078","0.0005","90","","104.491","0.002","90","","2546.47","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C88 H120 N24 O8 S8 -","8","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0524","0.0369","","","0.0954","0.1035","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232229","23.606","0.002","8.1378","0.0008","14.5476","0.0014","90","","115.51","0.007","90","","2522.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C88 H120 N24 O8 S8 -","8","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0731","0.0505","","","0.0991","0.1091","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232230","13.169","0.0012","4.4889","0.0004","20.4829","0.0018","90","","90","","90","","1210.83","0.19","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H12 N4 O2 S -","- C10 H12 N4 O2 S -","- C40 H48 N16 O8 S4 -","4","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0912","0.0505","","","0.1119","0.1284","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232231","6.5101","0.0011","9.753","0.0016","10.3547","0.0019","81.848","0.012","72.076","0.013","81.359","0.013","615.24","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 N4 O2 S -","- C10 H12 N4 O2 S -","- C20 H24 N8 O4 S2 -","2","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0625","0.0428","","","0.1059","0.1161","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232232","6.5899","0.0013","15.349","0.003","15.887","0.003","102.55","0.03","92.36","0.03","92.73","0.03","1564.6","0.6","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","gliquidone","","- C30 H42 N4 O7 S -","- C30 H42 N4 O7 S -","- C60 H84 N8 O14 S2 -","2","1","","Jia, Lina; Yu, Yang; Wang, Mengwei; Ouyang, Hanzhi; Gong, Junbo","Preparation and characterization for multicomponent crystals of the antidiabetic drug gliquidone based on crystal engineering","CrystEngComm","2019","21","10","1617","","10.1039/C8CE01848K","","","0.71073","MoKα","","0.083","0.0516","","","0.1076","0.1237","","","","","","0.977","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232233","6.5593","0.0013","16.171","0.003","16.454","0.003","74.56","0.03","89.11","0.03","86.78","0.03","1679.6","0.6","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","gliquidone","","- C33 H48 N4 O7 S -","- C33 H48 N4 O7 S -","- C66 H96 N8 O14 S2 -","2","1","","Jia, Lina; Yu, Yang; Wang, Mengwei; Ouyang, Hanzhi; Gong, Junbo","Preparation and characterization for multicomponent crystals of the antidiabetic drug gliquidone based on crystal engineering","CrystEngComm","2019","21","10","1617","","10.1039/C8CE01848K","","","0.71073","MoKα","","0.1237","0.0835","","","0.1953","0.2132","","","","","","0.94","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232234","6.5017","0.0013","16.269","0.003","16.495","0.003","105.54","0.03","90.98","0.03","93.01","0.03","1677.8","0.6","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","gliquidone","","- C32 H46 N4 O7 S -","- C32 H46 N4 O7 S -","- C64 H92 N8 O14 S2 -","2","1","","Jia, Lina; Yu, Yang; Wang, Mengwei; Ouyang, Hanzhi; Gong, Junbo","Preparation and characterization for multicomponent crystals of the antidiabetic drug gliquidone based on crystal engineering","CrystEngComm","2019","21","10","1617","","10.1039/C8CE01848K","","","0.71073","MoKα","","0.1093","0.0694","","","0.1415","0.1617","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232235","6.3818","0.0001","11.7984","0.0002","22.1415","0.0003","88.772","0.001","84.416","0.001","78.101","0.001","1623.58","0.04","159.99","0.1","159.99","0.1","","","","","","","","5","P -1","-P 1","2","","gliquidone","","- C31 H44 N4 O7 S -","- C31 H44 N4 O7 S -","- C62 H88 N8 O14 S2 -","2","1","","Jia, Lina; Yu, Yang; Wang, Mengwei; Ouyang, Hanzhi; Gong, Junbo","Preparation and characterization for multicomponent crystals of the antidiabetic drug gliquidone based on crystal engineering","CrystEngComm","2019","21","10","1617","","10.1039/C8CE01848K","","x-ray","1.54184","CuKα","","0.0504","0.0468","","","0.1272","0.1302","","","","","","1.063","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24","" "7232236","13.1788","0.0009","21.4947","0.0016","22.2362","0.0018","90","","106.952","0.002","90","","6025.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,10,15,20-Tetramesityl-2-(4-pyridyl)-1H-imidazo[4,5-b]porphyrinato zinc(II)","","- C76 H71 N7 Zn -","- C76 H71 N7 Zn -","- C304 H284 N28 Zn4 -","4","1","","Abdulaeva, Inna A.; Birin, Kirill P.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Lyssenko, Konstantin A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Bessmertnykh-Lemeune, Alla","Imidazoporphyrins as supramolecular tectons: synthesis and self-assembly of zinc 2-(4-pyridyl)-1H-imidazo[4,5-b]porphyrinate","CrystEngComm","2019","21","9","1488","","10.1039/C8CE01992D","","","0.71073","MoKα","","0.1195","0.0599","","","0.1342","0.1594","","","","","","1.015","","","","has coordinates","223660","2020-10-21","18:00:00","" "7232237","14.259","0.002","13.0995","0.0013","10.2027","0.0014","90","","123.36","0.02","90","","1591.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- B12 H2 Li2 Na2 O21 -","- B12 H2 Li2 Na2 O21 -","- B48 H8 Li8 Na8 O84 -","4","0.5","","Han, Bei-Bei; Cheng, Jian-Wen; Yang, Guo-Yu","Li2Na2[B12O19(OH)2]: a new open framework borate with a pcu-type net constructed from large cyclic dodeca-oxoboron units","CrystEngComm","2019","21","8","1262","","10.1039/C8CE02175A","","","0.71073","MoKα","","0.0389","0.0298","","","0.0765","0.0805","","","","","","1.047","","","","has coordinates","223523","2020-10-21","18:00:00","" "7232241","10.1382","0.0011","12.7716","0.0014","13.5128","0.0014","79.967","0.002","89.142","0.002","76.356","0.002","1673.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H21 N10 O7 -","- C32 H21 N10 O7 -","- C64 H42 N20 O14 -","2","1","","Li, Yangxue; Yu, Haiyang; Xu, Feifan; Guo, Qiaoyuan; Xie, Zhigang; Sun, Zhiyong","Solvent controlled self-assembly of π-stacked/H-bonded supramolecular organic frameworks from a C3-symmetric monomer for iodine adsorption","CrystEngComm","2019","21","11","1742","","10.1039/C8CE01800F","","","0.71073","MoKα","","0.0889","0.0719","","","0.2069","0.2265","","","","","","1.086","","","","has coordinates","223723","2020-10-21","18:00:00","" "7232242","11.9851","0.0017","12.2632","0.0017","13.7369","0.0019","94.016","0.002","112.728","0.002","103.896","0.002","1777.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H21 N9 O8 S -","- C33 H21 N9 O8 S -","- C66 H42 N18 O16 S2 -","2","1","","Li, Yangxue; Yu, Haiyang; Xu, Feifan; Guo, Qiaoyuan; Xie, Zhigang; Sun, Zhiyong","Solvent controlled self-assembly of π-stacked/H-bonded supramolecular organic frameworks from a C3-symmetric monomer for iodine adsorption","CrystEngComm","2019","21","11","1742","","10.1039/C8CE01800F","","","0.71073","MoKα","","0.1055","0.0889","","","0.2548","0.2729","","","","","","1.057","","","","has coordinates","223723","2020-10-21","18:00:00","" "7232243","7.4872","0.0006","12.4001","0.001","17.0797","0.0013","109.166","0.002","99.619","0.002","93.273","0.002","1466.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N9 O7 -","- C27 H21 N9 O7 -","- C54 H42 N18 O14 -","2","1","","Li, Yangxue; Yu, Haiyang; Xu, Feifan; Guo, Qiaoyuan; Xie, Zhigang; Sun, Zhiyong","Solvent controlled self-assembly of π-stacked/H-bonded supramolecular organic frameworks from a C3-symmetric monomer for iodine adsorption","CrystEngComm","2019","21","11","1742","","10.1039/C8CE01800F","","","0.71073","MoKα","","0.1057","0.0654","","","0.1759","0.2061","","","","","","1.033","","","","has coordinates,has disorder","223723","2020-10-21","18:00:00","" "7232244","13.729","0.007","11.895","0.006","16.192","0.008","90","","101.35","0.01","90","","2593","2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Br2 Cd N2 O6 -","- C26 H24 Br2 Cd N2 O6 -","- C104 H96 Br8 Cd4 N8 O24 -","4","1","","Wang, Hai Yu; Liu, Shuang; Fu, Chen; Zhang, Hong","Two novel multichromic coordination polymers based on a new flexible viologen ligand exhibiting photocontrolled luminescence properties and sensitive detection for ammonia","CrystEngComm","2019","21","10","1635","","10.1039/C8CE01948G","","","0.71073","MoKα","","0.0824","0.0689","","","0.2138","0.2257","","","","","","1.043","","","","has coordinates","223485","2020-10-21","18:00:00","" "7232245","21.974","0.006","10.015","0.002","13.444","0.004","90","","115.916","0.008","90","","2661.1","1.2","287","2","287","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cd N4 O4 S2 -","- C28 H20 Cd N4 O4 S2 -","- C112 H80 Cd4 N16 O16 S8 -","4","0.5","","Wang, Hai Yu; Liu, Shuang; Fu, Chen; Zhang, Hong","Two novel multichromic coordination polymers based on a new flexible viologen ligand exhibiting photocontrolled luminescence properties and sensitive detection for ammonia","CrystEngComm","2019","21","10","1635","","10.1039/C8CE01948G","","","0.71073","MoKα","","0.0755","0.056","","","0.1294","0.1421","","","","","","1.15","","","","has coordinates","223485","2020-10-21","18:00:00","" "7232246","11.974","0.002","14.046","0.003","15.893","0.003","90","","99.78","0.03","90","","2634.1","0.9","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H24 Mn N6 Se8 Sn3 -","- C6 H24 Mn N6 Se8 Sn3 -","- C24 H96 Mn4 N24 Se32 Sn12 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0432","0.0304","","","0.0795","0.0809","","","","","","1.027","","","","has coordinates","223487","2020-10-21","18:00:00","" "7232247","11.949","0.002","14.06","0.003","15.794","0.003","90","","100.39","0.03","90","","2609.9","0.9","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H24 N6 Se8 Sn3 Zn -","- C6 H24 N6 Se8 Sn3 Zn -","- C24 H96 N24 Se32 Sn12 Zn4 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0538","0.0374","","","0.0781","0.0907","","","","","","1.118","","","","has coordinates","223487","2020-10-21","18:00:00","" "7232248","11.95","0.002","14.083","0.003","17.995","0.006","90","","120.25","0.02","90","","2616","1.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H24 Fe N6 Se8 Sn3 -","- C6 H24 Fe N6 Se8 Sn3 -","- C24 H96 Fe4 N24 Se32 Sn12 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0618","0.048","","","0.0862","0.1094","","","","","","1.111","","","","has coordinates","223487","2020-10-21","18:00:00","" "7232249","10.104","0.002","12.048","0.002","12.107","0.002","89.524","0.014","75.445","0.017","75.777","0.017","1380.5","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 N6 Ni Se12 Sn -","- C6 H24 N6 Ni Se12 Sn -","- C12 H48 N12 Ni2 Se24 Sn2 -","2","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0628","0.0471","","","0.0732","0.0929","","","","","","1.002","","","","has coordinates","223487","2020-10-21","18:00:00","" "7232250","14.869","0.003","11.888","0.002","13.86","0.003","90","","90","","90","","2449.9","0.8","223","2","223","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H24 N6 Ni Se7.5 Sn3 -","- C6 H16 N6 Ni Se7.5 Sn3 -","- C24 H64 N24 Ni4 Se30 Sn12 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0678","0.0434","","","0.0842","0.1012","","","","","","1.118","","","","has coordinates","223487","2020-10-21","18:00:00","" "7232251","10.222","0.002","12.175","0.002","12.394","0.003","89.37","0.03","74.97","0.03","75.66","0.03","1440.9","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 Mn N6 Se12 Sn -","- C6 H24 Mn N6 Se12 Sn -","- C12 H48 Mn2 N12 Se24 Sn2 -","2","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0549","0.0411","","","0.0884","0.0921","","","","","","1.106","","","","has coordinates","223487","2020-10-21","18:00:00","" "7232252","10.223","0.002","12.106","0.002","12.263","0.003","89.4","0.03","89.4","0.03","75.45","0.03","1468.9","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 Fe N6 Se12 Sn -","- C6 H12 Fe N6 Se12 Sn -","- C12 H24 Fe2 N12 Se24 Sn2 -","2","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.063","0.0541","","","0.0854","0.1093","","","","","","1.013","","","","has coordinates","223487","2020-10-21","18:00:00","" "7232253","10.156","0.002","12.096","0.002","12.109","0.002","89.64","0.03","75.49","0.03","75.87","0.03","1394.1","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 N6 Se12 Sn Zn -","- C6 H24 N6 Se12 Sn Zn -","- C12 H48 N12 Se24 Sn2 Zn2 -","2","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0612","0.0497","","","0.0964","0.1106","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232271","9.7845","0.0014","5.5978","0.0008","32.633","0.005","90","","95.028","0.01","90","","1780.5","0.5","296","2","296","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","2","","Li, Ye-Xin; Yu, Zhen-Feng; Zhu, Cun-Zhao; Yang, Xiao-Feng; Nie, Yong; Cui, Yu; Sun, Guo-Xin","Three new metastable polymorphs of 1-(9-anthryl)-2-(1-naphthyl)ethylene and the polymorph-dependent phase transition and fluorescence change properties","CrystEngComm","2019","21","9","1512","","10.1039/C8CE01935E","","","1.34139","GaKα","","0.2605","0.0799","","","0.1551","0.2312","","","","","","0.96","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232272","7.8816","0.0008","10.022","0.001","10.4165","0.0011","106.091","0.004","94.967","0.005","100.946","0.004","767.68","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2RS,3RS)-2-bromo-3-hydroxy-1-(4-methylphenyl)-3-(2-nitrophenyl)-propan-1-one","","- C16 H14 Br N O4 -","- C16 H14 Br N O4 -","- C32 H28 Br2 N2 O8 -","2","1","","Fayzullin, Robert R.; Shteingolts, Sergey A.; Lodochnikova, Olga A.; Mamedova, Vera L.; Korshin, Dmitry E.; Mamedov, Vakhid A.","Intermolecular head-to-head interaction of carbonyl groups in bicyclic hydrogen-bonded synthon based on β-hydroxy ketones","CrystEngComm","2019","21","10","1587","","10.1039/C8CE02132E","","x-ray","0.71073","MoKα","","0.0644","0.0488","","","0.1291","0.1403","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232273","7.746","0.002","7.881","0.002","12.467","0.004","92.37","0.004","103.44","0.004","94.136","0.004","737","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2RS,3RS)-2-bromo-3-hydroxy-3-(2-nitrophenyl)-1-phenylpropan-1-one","","- C15 H12 Br N O4 -","- C15 H12 Br N O4 -","- C30 H24 Br2 N2 O8 -","2","1","","Fayzullin, Robert R.; Shteingolts, Sergey A.; Lodochnikova, Olga A.; Mamedova, Vera L.; Korshin, Dmitry E.; Mamedov, Vakhid A.","Intermolecular head-to-head interaction of carbonyl groups in bicyclic hydrogen-bonded synthon based on β-hydroxy ketones","CrystEngComm","2019","21","10","1587","","10.1039/C8CE02132E","","x-ray","0.71073","MoKα","","0.0537","0.0442","","","0.1129","0.1188","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232274","7.8","0.004","15.919","0.008","10.373","0.005","90","","98.416","0.006","90","","1274.1","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2RS,3SR)-3-(2-nitrophenyl)-1-phenyl-2,3-epoxypropan-1-one","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","1","","Fayzullin, Robert R.; Shteingolts, Sergey A.; Lodochnikova, Olga A.; Mamedova, Vera L.; Korshin, Dmitry E.; Mamedov, Vakhid A.","Intermolecular head-to-head interaction of carbonyl groups in bicyclic hydrogen-bonded synthon based on β-hydroxy ketones","CrystEngComm","2019","21","10","1587","","10.1039/C8CE02132E","","x-ray","0.71073","MoKα","","0.0654","0.0404","","","0.0916","0.1047","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232275","14.847","0.011","7.932","0.006","14.919","0.011","90","","118.211","0.009","90","","1548","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2RS,3RS)-2-bromo-1-(4-chlorophenyl)-3-hydroxy-3-(2-nitrophenyl)-propan-1-one","","- C15 H11 Br Cl N O4 -","- C15 H11 Br Cl N O4 -","- C60 H44 Br4 Cl4 N4 O16 -","4","1","","Fayzullin, Robert R.; Shteingolts, Sergey A.; Lodochnikova, Olga A.; Mamedova, Vera L.; Korshin, Dmitry E.; Mamedov, Vakhid A.","Intermolecular head-to-head interaction of carbonyl groups in bicyclic hydrogen-bonded synthon based on β-hydroxy ketones","CrystEngComm","2019","21","10","1587","","10.1039/C8CE02132E","","x-ray","0.71073","MoKα","","0.0833","0.0551","","","0.1344","0.1496","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232276","13.8179","0.0005","4.53024","0.00016","16.5413","0.0006","90","","90.096","0.003","90","","1035.46","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","0.71073","MoKα","","0.0649","0.0628","","","0.176","0.1776","","","","","","1.096","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232277","13.7983","0.0005","4.54885","0.00013","16.5972","0.0005","90","","89.979","0.003","90","","1041.75","0.06","190.03","0.1","190.03","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0504","0.0488","","","0.1306","0.1335","","","","","","1.014","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232278","13.7588","0.0005","4.52816","0.00013","16.5509","0.0005","90","","89.976","0.003","90","","1031.15","0.06","104","6","104","6","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0473","0.0465","","","0.1212","0.1225","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232279","13.7503","0.0004","4.52597","0.00012","16.5449","0.0005","90","","89.976","0.003","90","","1029.65","0.05","90.1","0.4","90.1","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0464","0.0458","","","0.1203","0.1213","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232280","13.7934","0.0004","4.54536","0.00012","16.5872","0.0005","90","","89.979","0.003","90","","1039.95","0.05","179.97","0.1","179.97","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0473","0.0461","","","0.1236","0.126","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232281","13.7896","0.0005","4.54222","0.00014","16.5883","0.0005","90","","89.976","0.003","90","","1039.01","0.06","170.03","0.1","170.03","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0483","0.0471","","","0.1249","0.1272","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232282","13.8039","0.0005","4.55103","0.00013","16.6046","0.0005","90","","89.998","0.003","90","","1043.13","0.06","199.97","0.1","199.97","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.049","0.0474","","","0.1253","0.1287","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232283","13.8211","0.0006","4.55654","0.00016","16.6176","0.0006","90","","89.991","0.004","90","","1046.52","0.07","219.98","0.1","219.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.05","0.0476","","","0.126","0.131","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232284","13.7768","0.0005","4.53799","0.00013","16.578","0.0005","90","","89.98","0.003","90","","1036.44","0.06","150.03","0.1","150.03","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0489","0.0483","","","0.1271","0.1285","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232285","13.849","0.0006","4.57028","0.00016","16.6432","0.0006","90","","89.994","0.004","90","","1053.41","0.07","270.02","0.1","270.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0579","0.0529","","","0.1411","0.1489","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232286","13.8281","0.0006","4.55914","0.00015","16.6195","0.0006","90","","89.994","0.004","90","","1047.76","0.07","230.01","0.1","230.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0539","0.0511","","","0.1357","0.1412","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232287","13.8405","0.0006","4.56458","0.00016","16.6279","0.0006","90","","89.994","0.004","90","","1050.49","0.07","250.02","0.1","250.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0557","0.052","","","0.14","0.1455","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232288","13.7827","0.0005","4.54004","0.00014","16.5843","0.0005","90","","89.974","0.003","90","","1037.75","0.06","159.98","0.1","159.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0485","0.0475","","","0.1261","0.128","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232289","13.8462","0.0007","4.56671","0.00018","16.6389","0.0007","90","","89.992","0.004","90","","1052.1","0.08","259.98","0.1","259.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0508","0.0473","","","0.1264","0.1319","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232290","13.8767","0.001","4.5831","0.0003","16.6695","0.0011","90","","89.995","0.006","90","","1060.15","0.12","310.02","0.1","310.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0706","0.0634","","","0.1729","0.1867","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232291","13.7702","0.0004","4.53628","0.00013","16.5687","0.0005","90","","89.989","0.003","90","","1034.97","0.05","139.99","0.1","139.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0464","0.0458","","","0.1224","0.1235","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232292","13.8115","0.0005","4.55378","0.00014","16.6052","0.0005","90","","89.99","0.003","90","","1044.38","0.06","210.02","0.1","210.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0528","0.0507","","","0.1343","0.1388","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232293","13.7678","0.0004","4.53467","0.00013","16.5652","0.0005","90","","89.975","0.003","90","","1034.21","0.05","130.02","0.1","130.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0474","0.0466","","","0.124","0.1254","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232294","13.8327","0.0007","4.56126","0.00018","16.6307","0.0007","90","","90.013","0.004","90","","1049.31","0.08","239.98","0.1","239.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0501","0.0474","","","0.1245","0.1293","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232295","13.757","0.0005","4.53004","0.00014","16.5589","0.0005","90","","89.965","0.003","90","","1031.95","0.06","110.02","0.12","110.02","0.12","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0478","0.0472","","","0.1241","0.1252","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232296","13.7629","0.0005","4.53229","0.00013","16.5628","0.0005","90","","89.962","0.003","90","","1033.15","0.06","122","3","122","3","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.048","0.0473","","","0.1246","0.1263","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232297","13.8533","0.0007","4.57352","0.00016","16.647","0.0007","90","","89.994","0.004","90","","1054.73","0.08","279.99","0.1","279.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0526","0.0482","","","0.1271","0.1347","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232298","13.8662","0.0007","4.58166","0.00018","16.6568","0.0007","90","","90.015","0.004","90","","1058.21","0.08","300","0.1","300","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0569","0.0521","","","0.1383","0.1461","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232299","12.1056","0.0008","7.802","0.0005","11.6256","0.0006","90","","97.574","0.005","90","","1088.43","0.12","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","","Senadi, Gopal Chandru; Kudale, Vishal Suresh; Wang, Jeh-Jeng","Sustainable methine sources for the synthesis of heterocycles under metal- and peroxide-free conditions","Green Chemistry","2019","21","5","979","","10.1039/C8GC03839B","","x-ray","0.71073","MoKα","","0.0957","0.0537","","","0.1163","0.1399","","","","","","1.012","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232300","12.4895","0.0009","7.7667","0.0005","11.5802","0.0006","90","","96.718","0.006","90","","1115.59","0.12","297","2","297","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","","Senadi, Gopal Chandru; Kudale, Vishal Suresh; Wang, Jeh-Jeng","Sustainable methine sources for the synthesis of heterocycles under metal- and peroxide-free conditions","Green Chemistry","2019","21","5","979","","10.1039/C8GC03839B","","x-ray","0.71073","MoKα","","0.0998","0.0659","","","0.1548","0.1854","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232305","12.036","0.007","12.533","0.007","14.01","0.013","109.014","0.01","97.412","0.01","118.495","0.007","1650","2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 F6 N2 O5 -","- C31 H22 F6 N2 O5 -","- C62 H44 F12 N4 O10 -","2","1","","Zhang, He; Gao, Xue-Wang; Wang, Li; Zhao, Xinsheng; Li, Qiu-Yan; Wang, Xiao-Jun","Microwave-assisted synthesis of urea-containing zirconium metal–organic frameworks for heterogeneous catalysis of Henry reactions","CrystEngComm","2019","21","9","1358","","10.1039/C8CE02153H","","","0.71073","MoKα","","0.1343","0.0689","","","0.1676","0.1884","","","","","","0.941","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24","" "7232306","6.561","0.0003","7.0809","0.0004","12.0629","0.0006","89.067","0.004","87.281","0.003","78.757","0.003","549.03","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 N O3 -","- C13 H9 N O3 -","- C26 H18 N2 O6 -","2","1","","Zhou, Hui; Mu, Sen; Ren, Bai-Hao; Zhang, Rui; Lu, Xiao-Bing","Organocatalyzed carboxylative cyclization of propargylic amides with atmospheric CO2 towards oxazolidine-2,4-diones","Green Chemistry","2019","21","5","991","","10.1039/C8GC03929A","","","0.71073","MoKα","","0.0861","0.0683","","","0.2015","0.218","","","","","","1.086","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232307","6.7109","0.0007","9.819","0.0013","12.7318","0.0014","75.919","0.008","82.43","0.009","80.639","0.009","799.18","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 F3 N O3 -","- C18 H12 F3 N O3 -","- C36 H24 F6 N2 O6 -","2","1","","Zhou, Hui; Mu, Sen; Ren, Bai-Hao; Zhang, Rui; Lu, Xiao-Bing","Organocatalyzed carboxylative cyclization of propargylic amides with atmospheric CO2 towards oxazolidine-2,4-diones","Green Chemistry","2019","21","5","991","","10.1039/C8GC03929A","","","0.71073","MoKα","","0.1175","0.0621","","","0.1651","0.2018","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232308","6.04","0.002","19.12","0.007","26.355","0.009","90","","90","","90","","3043.6","1.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C144 H120 N8 O32 -","8","1","","Zhou, Hui; Mu, Sen; Ren, Bai-Hao; Zhang, Rui; Lu, Xiao-Bing","Organocatalyzed carboxylative cyclization of propargylic amides with atmospheric CO2 towards oxazolidine-2,4-diones","Green Chemistry","2019","21","5","991","","10.1039/C8GC03929A","","","0.71073","MoKα","","0.1022","0.0548","","","0.132","0.1544","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232309","14.7342","0.0005","12.3434","0.0004","25.1181","0.0009","90","","103.275","0.001","90","","4446.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H92 Co5 N10 O28 -","- C90 H92 Co5 N10 O28 -","- C180 H184 Co10 N20 O56 -","2","0.5","","Fan, Yanru; Li, Xiao; Gao, Kuan; Liu, Yu; Meng, Xiangru; Wu, Jie; Hou, Hongwei","Co(ii)-cluster-based metal‒organic frameworks as efficient heterogeneous catalysts for selective oxidation of arylalkanes","CrystEngComm","2019","21","10","1666","","10.1039/C8CE02151A","","","0.71073","MoKα","","0.0538","0.0357","","","0.0856","0.0941","","","","","","1.026","","","","has coordinates","223482","2020-10-21","18:00:00","" "7232310","10.6338","0.0004","22.9546","0.0009","12.9795","0.0004","90","","96.78","0.001","90","","3146.1","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H68 Co2 N8 O13 -","- C68 H68 Co2 N8 O13 -","- C136 H136 Co4 N16 O26 -","2","1","","Fan, Yanru; Li, Xiao; Gao, Kuan; Liu, Yu; Meng, Xiangru; Wu, Jie; Hou, Hongwei","Co(ii)-cluster-based metal‒organic frameworks as efficient heterogeneous catalysts for selective oxidation of arylalkanes","CrystEngComm","2019","21","10","1666","","10.1039/C8CE02151A","","","0.71073","MoKα","","0.0553","0.0389","","","0.0961","0.1049","","","","","","0.986","","","","has coordinates","223482","2020-10-21","18:00:00","" "7232311","10.8175","0.0005","13.0914","0.0006","22.9369","0.001","96.939","0.002","99.947","0.002","100.57","0.002","3105.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 Co2 N6 O8 -","- C60 H44 Co2 N6 O8 -","- C120 H88 Co4 N12 O16 -","2","1","","Fan, Yanru; Li, Xiao; Gao, Kuan; Liu, Yu; Meng, Xiangru; Wu, Jie; Hou, Hongwei","Co(ii)-cluster-based metal‒organic frameworks as efficient heterogeneous catalysts for selective oxidation of arylalkanes","CrystEngComm","2019","21","10","1666","","10.1039/C8CE02151A","","","0.71073","MoKα","","0.0984","0.0556","","","0.147","0.1647","","","","","","1.032","","","","has coordinates","223482","2020-10-21","18:00:00","" "7232321","5.0637","0.0004","4.9677","0.0004","29.092","0.002","90","","94.332","0.002","90","","729.72","0.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F6 N2 O2 -","- C16 H10 F6 N2 O2 -","- C32 H20 F12 N4 O4 -","2","0.5","","Bhandary, Subhrajyoti; Panini, Piyush; Chopra, Deepak","Evaluating the importance of fractional Z′ polymorphs in a trifluoromethylated N,N′-diphenyloxalamide derivative","CrystEngComm","2019","21","10","1543","","10.1039/C8CE02163E","","","0.71073","MoKα","","0.0413","0.0369","","","0.0984","0.1021","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232322","4.9806","0.0004","11.5051","0.0008","14.8528","0.0012","68.367","0.005","80.383","0.004","78.374","0.004","770.89","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 F6 N2 O2 -","- C16 H10 F6 N2 O2 -","- C32 H20 F12 N4 O4 -","2","1","","Bhandary, Subhrajyoti; Panini, Piyush; Chopra, Deepak","Evaluating the importance of fractional Z′ polymorphs in a trifluoromethylated N,N′-diphenyloxalamide derivative","CrystEngComm","2019","21","10","1543","","10.1039/C8CE02163E","","","0.71073","MoKα","","0.0843","0.0501","","","0.1071","0.1217","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232323","7.672","0.0011","9.7977","0.0013","9.9187","0.0013","90","","90.011","0.005","90","","745.57","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 N3 O3 S -","- C12 H19 N3 O3 S -","- C24 H38 N6 O6 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.04","0.0347","","","0.0915","0.0952","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232324","10.3216","0.0009","6.6441","0.0005","12.054","0.0011","90","","105.426","0.004","90","","796.86","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H21 N3 O3 S -","- C13 H21 N3 O3 S -","- C26 H42 N6 O6 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0336","0.0306","","","0.0793","0.0817","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232325","10.4333","0.0007","6.8279","0.0004","11.1774","0.0007","90","","113.332","0.004","90","","731.14","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 N3 O4 S -","- C12 H19 N3 O4 S -","- C24 H38 N6 O8 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0389","0.0327","","","0.0727","0.0762","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232326","10.4296","0.0006","6.7642","0.0003","11.2829","0.0006","90","","113.623","0.003","90","","729.28","0.07","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H16 Cl N3 O3 S -","- C11 H16 Cl N3 O3 S -","- C22 H32 Cl2 N6 O6 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0416","0.0355","","","0.0923","0.0978","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232327","10.085","0.0005","6.6661","0.0003","18.9899","0.0009","90","","104.813","0.003","90","","1234.22","0.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H12 Cl N3 O3 S -","- C9 H12 Cl N3 O3 S -","- C36 H48 Cl4 N12 O12 S4 -","4","2","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0407","0.0352","","","0.0878","0.0915","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232328","10.4081","0.0004","5.8338","0.0002","13.2672","0.0005","90","","107.035","0.004","90","","770.22","0.05","150.2","0.3","150.2","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","4-bromo-2-methylanilinium 3,5-dinitrobenzoate","","- C14 H12 Br N3 O6 -","- C14 H12 Br N3 O6 -","- C28 H24 Br2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0488","0.0385","","","0.0565","0.0613","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232329","10.2583","0.0006","5.8537","0.0003","13.2818","0.0009","90","","106.933","0.007","90","","762.98","0.08","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-chloro-2-methylanilinium 3,5-dinitrobenzoate","","- C14 H12 Cl N3 O6 -","- C14 H12 Cl N3 O6 -","- C28 H24 Cl2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0589","0.0431","","","0.0707","0.0785","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232330","7.2766","0.0003","7.3862","0.0003","14.2883","0.0005","99.348","0.003","103.715","0.004","90.271","0.003","735.39","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","4-iodoaniline 3,5-dinitrobenzoic acid","","- C13 H10 I N3 O6 -","- C13 H10 I N3 O6 -","- C26 H20 I2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0633","0.046","","","0.1018","0.1099","","","","","","1.081","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232331","6.7588","0.0001","12.0929","0.0002","36.4619","0.0005","90","","90","","90","","2980.16","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-iodoanilinium 3,5-dinitrobenzoate","","- C13 H10 I N3 O6 -","- C13 H10 I N3 O6 -","- C104 H80 I8 N24 O48 -","8","2","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0213","0.0205","","","0.0472","0.0476","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232332","7.1802","0.0004","7.242","0.0004","14.7292","0.0006","87.048","0.004","88.078","0.004","89.926","0.005","764.46","0.07","150.05","0.1","150.05","0.1","","","","","","","","5","P -1","-P 1","2","","4-bromo-2-methylaniline 3,5-dinitrobenzoic acid","","- C14 H12 Br N3 O6 -","- C14 H12 Br N3 O6 -","- C28 H24 Br2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0766","0.049","","","0.0926","0.1058","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232333","6.7937","0.0001","11.9574","0.0001","35.8729","0.0003","90","","90","","90","","2914.13","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-bromoanilinium 3,5-dinitrobenzoate","","- C13 H10 Br N3 O6 -","- C13 H10 Br N3 O6 -","- C104 H80 Br8 N24 O48 -","8","2","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","1.54184","CuKα","","0.0397","0.039","","","0.1056","0.1067","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232334","7.3332","0.001","13.937","0.002","15.611","0.002","65.133","0.005","82.758","0.006","83.33","0.006","1432.5","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","4-bromoaniline 3,5-dinitrobenzoic acid","","- C13 H10 Br N3 O6 -","- C13 H10 Br N3 O6 -","- C52 H40 Br4 N12 O24 -","4","2","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71075","MoKα","","0.0403","0.0324","","","0.0839","0.0879","","","","","","1.143","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232335","11.979","0.0003","14.0236","0.0005","12.1193","0.0003","90","","104.952","0.002","90","","1966.97","0.1","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cl Cu N4 O S -","- C20 H19 Cl Cu N4 O S -","- C80 H76 Cl4 Cu4 N16 O4 S4 -","4","1","","Santana, Vinicius T.; Cunha, Beatriz N.; Plutín, Ana M; Silveira, Rafael G.; Castellano, Eduardo E.; Batista, Alzir A.; Calvo, Rafael; Nascimento, Otaciro R.","Magnetic-field-tuned phase transition of a molecular material from the isolated-spin to the coupled-spin regime.","Physical chemistry chemical physics : PCCP","2019","21","8","4394","4407","10.1039/c8cp06719h","","x-ray","0.71073","MoKα","","0.0791","0.0656","","","0.1888","0.1973","","","","","","1.104","","","","has coordinates","225324","2020-10-21","18:00:00","" "7232339","17.5291","0.0014","17.5291","0.0014","14.569","0.002","90","","90","","90","","4476.6","0.8","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Dy2 N6 O18 -","- C42 H30 Dy2 N6 O18 -","- C168 H120 Dy8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0407","0.0387","","","0.0967","0.0987","","","","","","1.074","","","","has coordinates","223722","2020-10-21","18:00:00","" "7232340","17.5481","0.0011","17.5481","0.0011","14.5406","0.0011","90","","90","","90","","4477.6","0.5","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Eu2 N6 O18 -","- C42 H30 Eu2 N6 O18 -","- C168 H120 Eu8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71075","MoKα","","0.0636","0.0572","","","0.1259","0.1318","","","","","","1.108","","","","has coordinates","223722","2020-10-21","18:00:00","" "7232341","17.5494","0.0009","17.5494","0.0009","14.5562","0.001","90","","90","","90","","4483","0.4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Gd2 N6 O18 -","- C42 H30 Gd2 N6 O18 -","- C168 H120 Gd8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71075","MoKα","","0.0613","0.0547","","","0.1206","0.1271","","","","","","1.114","","","","has coordinates","223722","2020-10-21","18:00:00","" "7232342","17.6414","0.0006","17.6414","0.0006","14.6038","0.0009","90","","90","","90","","4545","0.4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 N6 O18 Sm2 -","- C42 H30 N6 O18 Sm2 -","- C168 H120 N24 O72 Sm8 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0425","0.0371","","","0.0761","0.0788","","","","","","1.096","","","","has coordinates","223722","2020-10-21","18:00:00","" "7232343","17.4158","0.0006","17.4158","0.0006","14.4403","0.0009","90","","90","","90","","4379.9","0.3","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 N6 O18 Yb2 -","- C42 H30 N6 O18 Yb2 -","- C168 H120 N24 O72 Yb8 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0291","0.0282","","","0.0712","0.0724","","","","","","1.064","","","","has coordinates","223722","2020-10-21","18:00:00","" "7232344","17.589","0.007","17.589","0.007","14.561","0.008","90","","90","","90","","4505","4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Er2 N6 O18 -","- C42 H30 Er2 N6 O18 -","- C168 H120 Er8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0369","0.0337","","","0.0749","0.0768","","","","","","1.059","","","","has coordinates","223722","2020-10-21","18:00:00","" "7232345","17.5565","0.0006","17.5565","0.0006","14.5448","0.0008","90","","90","","90","","4483.2","0.3","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 N6 O18 Tb2 -","- C42 H30 N6 O18 Tb2 -","- C168 H120 N24 O72 Tb8 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0353","0.0329","","","0.0775","0.079","","","","","","1.105","","","","has coordinates","223722","2020-10-21","18:00:00","" "7232346","17.572","0.0006","17.572","0.0006","14.5303","0.0011","90","","90","","90","","4486.6","0.4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Ho2 N6 O18 -","- C42 H30 Ho2 N6 O18 -","- C168 H120 Ho8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0338","0.0312","","","0.0707","0.072","","","","","","1.078","","","","has coordinates","223722","2020-10-21","18:00:00","" "7232348","8.1083","0.0005","10.3884","0.0006","11.943","0.0008","108.394","0.0019","95.407","0.002","108.653","0.0014","882.88","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Cu2 N12 O4 -","- C38 H28 Cu2 N12 O4 -","- C38 H28 Cu2 N12 O4 -","1","0.5","","Ishikawa, Ryuta; Ueno, Shunya; Hamatake, Yumi; Horii, Yoji; Miyazaki, Yuji; Nakano, Motohiro; Noda, Takeshi; Uematsu, Mikoto; Kawata, Satoshi","Versatile coordination architectures of products generated by the in situ reaction of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear copper(ii) complex with tetracyanoethylene","CrystEngComm","2019","21","12","1886","","10.1039/C9CE00036D","","","0.71075","MoKα","","","0.0338","","","","0.0826","","","","","","1.094","","","","has coordinates","223731","2020-10-21","18:00:00","" "7232349","23.2726","0.0012","9.8774","0.0004","15.2044","0.0007","90","","112.301","0.0015","90","","3233.6","0.3","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Cu2 N12 O4 -","- C36 H24 Cu2 N12 O4 -","- C144 H96 Cu8 N48 O16 -","4","0.5","","Ishikawa, Ryuta; Ueno, Shunya; Hamatake, Yumi; Horii, Yoji; Miyazaki, Yuji; Nakano, Motohiro; Noda, Takeshi; Uematsu, Mikoto; Kawata, Satoshi","Versatile coordination architectures of products generated by the in situ reaction of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear copper(ii) complex with tetracyanoethylene","CrystEngComm","2019","21","12","1886","","10.1039/C9CE00036D","","","0.71075","MoKα","","0.0286","0.0262","","","0.0666","0.068","","","","","","1.083","","","","has coordinates","223731","2020-10-21","18:00:00","" "7232350","10.989","0.003","28.1","0.006","11.059","0.003","90","","109.434","0.002","90","","3220.4","1.4","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H36 Cu4 N28 O4 -","- C72 H36 Cu4 N28 O4 -","- C144 H72 Cu8 N56 O8 -","2","0.5","","Ishikawa, Ryuta; Ueno, Shunya; Hamatake, Yumi; Horii, Yoji; Miyazaki, Yuji; Nakano, Motohiro; Noda, Takeshi; Uematsu, Mikoto; Kawata, Satoshi","Versatile coordination architectures of products generated by the in situ reaction of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear copper(ii) complex with tetracyanoethylene","CrystEngComm","2019","21","12","1886","","10.1039/C9CE00036D","","","0.71075","MoKα","","0.0429","0.0367","","","0.0892","0.093","","","","","","1.072","","","","has coordinates","223731","2020-10-21","18:00:00","" "7232351","4.4893","0.0002","15.5665","0.0005","24.4653","0.0009","90","","92.894","0.002","90","","1707.52","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzo[c]cinnoline + 1,4-Tetrafluorobenzene","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C72 H32 F16 I8 N8 -","4","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.0497","0.0429","","","0.1074","0.1107","","","","","","1.109","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232352","11.57","0.0004","11.6762","0.0004","11.7522","0.0004","70.484","0.002","63.812","0.002","73.849","0.002","1326.69","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","9,9-Bis(4-aminophenyl)fluorene + 1,4-Diiodotetrafluorobenzene","9,9-Bis(4-aminophenyl)fluorene + 1,4-Diiodotetrafluorobenzene","","- C31 H20 F4 I2 N2 -","- C31 H20 F4 I2 N2 -","- C62 H40 F8 I4 N4 -","2","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.0453","0.0337","","","0.0753","0.0795","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232353","8.0795","0.0005","11.2522","0.0006","15.1999","0.0009","78.399","0.002","81.52","0.003","69.72","0.003","1265.16","0.13","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H44 Cl2 Cu2 F6 N8 O4 -","- C50 H44 Cl2 Cu2 F6 N8 O4 -","- C50 H44 Cl2 Cu2 F6 N8 O4 -","1","0.5","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.066","0.0537","","","0.1273","0.1344","","","","","","1.091","","","","has coordinates","223733","2020-10-21","18:00:00","" "7232354","13.9639","0.0005","9.2151","0.0003","28.0322","0.0009","90","","98.66","0.001","90","","3566","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diphenylvinyl biphenyl + 1,4-Diiodotetrafluorobenzene","Diphenylvinyl biphenyl + 1,4-Diiodotetrafluorobenzene","","- C46 H30 F4 I2 -","- C46 H30 F4 I2 -","- C184 H120 F16 I8 -","4","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.0367","0.0298","","","0.0642","0.067","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232355","26.714","0.009","13.423","0.004","7.556","0.003","90","","97.82","0.02","90","","2684.2","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzocinnoline + 1,4-Diiodotetrafluorobenzene","Benzocinnoline + 1,4-Diiodotetrafluorobenzene","","- C30 H16 F4 I2 N4 -","- C30 H16 F4 I2 N4 -","- C120 H64 F16 I8 N16 -","4","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.2393","0.0909","","","0.1611","0.2157","","","","","","0.994","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232356","9.3655","0.0004","11.0244","0.0004","13.431","0.0005","89.844","0.002","74.129","0.002","73.241","0.002","1272.85","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Biphenyl Fluorene + 1,4-Diiodotetrafluorobenzene","Biphenyl Fluorene + 1,4-Diiodotetrafluorobenzene","","- C32 H18 F4 I2 -","- C32 H18 F4 I2 -","- C64 H36 F8 I4 -","2","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.038","0.0349","","","0.0804","0.082","","","","","","1.126","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232359","11.4279","0.0013","11.6213","0.0013","11.4696","0.0018","90","","108.424","0.013","90","","1445.2","0.3","287","18","287","18","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C14 H8 N5 O4 Zn -","- C14 H8 N5 O4 Zn -","- C56 H32 N20 O16 Zn4 -","4","0.5","","Zhang, Xiao; Zhuang, Xinrui; Zhang, Nanxi; Ge, Chunyu; Luo, Xuan; Li, Jinxue; Wu, Jie; Yang, Qingfeng; Liu, Rui","A luminescent sensor based on a Zn(ii) coordination polymer for selective and sensitive detection of NACs and Fe3+ ions","CrystEngComm","2019","21","12","1948","","10.1039/C9CE00068B","","x-ray","0.71073","MoKα","","0.0728","0.0693","","","0.1751","0.1785","","","","","","1.051","","","","has coordinates,has disorder","223729","2020-10-21","18:00:00","" "7232363","8.2387","0.0014","9.1226","0.0015","15.647","0.003","78.884","0.002","77.335","0.002","63.875","0.002","1023.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 F5 N3 O4 -","- C21 H14 F5 N3 O4 -","- C42 H28 F10 N6 O8 -","2","1","","Du, Xuan-Xuan; Zi, Quan-Xing; Wu, Yu-Meng; Jin, Yi; Lin, Jun; Yan, Sheng-Jiao","An environmentally benign multi-component reaction: regioselective synthesis of fluorinated 2-aminopyridines using diverse properties of the nitro group","Green Chemistry","2019","21","6","1505","","10.1039/C8GC03698E","","","0.71073","MoKα","","0.0658","0.0501","","","0.1497","0.1619","","","","","","1.094","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232364","8.6308","0.0016","9.4049","0.0018","13.955","0.003","78.895","0.002","81.887","0.002","74.726","0.002","1067.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 F5 N2 O2 -","- C23 H19 F5 N2 O2 -","- C46 H38 F10 N4 O4 -","2","1","","Du, Xuan-Xuan; Zi, Quan-Xing; Wu, Yu-Meng; Jin, Yi; Lin, Jun; Yan, Sheng-Jiao","An environmentally benign multi-component reaction: regioselective synthesis of fluorinated 2-aminopyridines using diverse properties of the nitro group","Green Chemistry","2019","21","6","1505","","10.1039/C8GC03698E","","","0.71073","MoKα","","0.0861","0.0512","","","0.1386","0.1679","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232365","9.5897","0.0003","14.3802","0.0007","18.8257","0.0008","107.624","0.004","103.176","0.003","99.794","0.003","2327.76","0.19","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30.88 H53 Br2.12 Eu F2.62 N3 O21.62 S0.88 -","- C30.874 H31 Br2.126 Eu F2.622 N3 O10.622 S0.874 -","- C61.748 H62 Br4.252 Eu2 F5.244 N6 O21.244 S1.748 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.055","0.0528","","","0.1478","0.1505","","","","","","1.078","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00","" "7232366","9.5721","0.0004","14.4092","0.0006","18.7321","0.0007","106.854","0.004","103.019","0.004","99.792","0.004","2331.09","0.19","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30.68 H53 Br2.32 F2.06 N3 Nd O21.06 S0.69 -","- C30.686 H31 Br2.314 F2.058 N3 Nd O10.058 S0.686 -","- C61.372 H62 Br4.628 F4.116 N6 Nd2 O20.116 S1.372 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0642","0.0612","","","0.1752","0.1788","","","","","","1.047","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00","" "7232367","11.1828","0.0006","13.1617","0.0005","13.3823","0.0007","103.662","0.004","114.054","0.005","106.336","0.004","1581.64","0.18","123.01","0.1","123.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H67 Br5 N6 O16 -","- C60 H67 Br5 N6 O16 -","- C60 H67 Br5 N6 O16 -","1","0.5","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","0.71073","MoKα","","0.0539","0.0402","","","0.0869","0.0944","","","","","","1.024","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00","" "7232368","9.5251","0.0003","14.2183","0.0003","18.865","0.0007","107.596","0.003","102.916","0.003","99.489","0.002","2298.26","0.14","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30.83 H53 Br2.17 F2.5 N3 O21.5 S0.83 Sm -","- C30.831 H31 Br2.169 F2.493 N3 O10.493 S0.831 Sm -","- C61.662 H62 Br4.338 F4.986 N6 O20.986 S1.662 Sm2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0643","0.0606","","","0.1672","0.1719","","","","","","1.06","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00","" "7232369","9.528","0.0004","14.3123","0.0006","18.861","0.0008","107.797","0.004","103.227","0.004","99.461","0.003","2306.55","0.19","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C31 H51 Br2 F3 Gd N3 O21 S -","- C31 H31 Br2 F3 Gd N3 O11 S -","- C62 H62 Br4 F6 Gd2 N6 O22 S2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0724","0.0686","","","0.193","0.1984","","","","","","1.055","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00","" "7232370","18.7334","0.0004","25.659","0.0005","9.82867","0.00019","90","","102.696","0.002","90","","4608.93","0.16","120.01","0.1","120.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.61 H47 Br1.39 F4.84 N3 O20.84 S1.61 Sm -","- C31.611 H31 Br1.389 F4.833 N3 O12.833 S1.611 Sm -","- C126.444 H124 Br5.556 F19.332 N12 O51.332 S6.444 Sm4 -","4","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0589","0.0529","","","0.1453","0.1502","","","","","","1.061","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00","" "7232371","9.1533","0.0009","14.3573","0.0013","18.8779","0.0016","107.505","0.008","103.919","0.008","96.822","0.008","2247","0.4","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 Br2 N3 Nd O21 -","- C32 H34 Br2 N3 Nd O10 -","- C64 H68 Br4 N6 Nd2 O20 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0498","0.043","","","0.1097","0.1163","","","","","","1.038","","","","has coordinates","223642","2020-10-21","18:00:00","" "7232372","18.7643","0.0002","25.6962","0.0003","9.85675","0.00012","90","","102.856","0.0012","90","","4633.51","0.1","120.01","0.1","120.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.65 H43 Br1.35 F4.94 N3 Nd O19.29 S1.65 -","- C31.647 H31 Br1.353 F4.941 N3 Nd O13.294 S1.647 -","- C126.588 H124 Br5.412 F19.764 N12 Nd4 O53.176 S6.588 -","4","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0552","0.0464","","","0.1295","0.1363","","","","","","1.068","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00","" "7232373","9.5114","0.0004","14.2612","0.0006","18.8972","0.0006","108.079","0.004","103.298","0.003","99.25","0.004","2295.55","0.18","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C31 H49 Br2 F3 N3 O20 S Tb -","- C31 H31 Br2 F3 N3 O11 S Tb -","- C62 H62 Br4 F6 N6 O22 S2 Tb2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0721","0.0688","","","0.1859","0.1887","","","","","","1.049","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00","" "7232374","9.2767","0.0003","13.0591","0.0005","18.3855","0.0008","107.284","0.004","98.961","0.003","94.147","0.003","2084.11","0.15","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Br3 N3 O15 Yb -","- C30 H31 Br3 N3 O9 Yb -","- C60 H62 Br6 N6 O18 Yb2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0372","0.0327","","","0.0847","0.0879","","","","","","1.034","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00","" "7232375","9.6013","0.0003","14.3577","0.0003","18.7825","0.0005","106.592","0.002","102.854","0.002","99.256","0.002","2348.43","0.12","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30.76 H51 Br2.24 F2.3 La N3 O20.3 S0.76 -","- C30.766 H31 Br2.234 F2.298 La N3 O10.298 S0.766 -","- C61.532 H62 Br4.468 F4.596 La2 N6 O20.596 S1.532 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.06","0.0574","","","0.1614","0.1649","","","","","","1.035","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00","" "7232376","10.0256","0.0003","14.2571","0.0004","18.5311","0.0005","109.018","0.003","105.086","0.003","95.287","0.002","2372.01","0.14","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C32.9 H41 Br0.1 F8.7 N3 O21.7 S2.9 Yb -","- C32.9 H31 Br0.1 F8.7 N3 O16.7 S2.9 Yb -","- C65.8 H62 Br0.2 F17.4 N6 O33.4 S5.8 Yb2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0913","0.0822","","","0.2401","0.2745","","","","","","1.184","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00","" "7232377","9.4378","0.0003","12.3546","0.0003","18.881","0.0004","104.683","0.002","98.809","0.002","99.428","0.002","2056.69","0.1","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Br3 N3 Nd O15 -","- C30 H31 Br3 N3 Nd O8 -","- C60 H62 Br6 N6 Nd2 O16 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0463","0.0449","","","0.1163","0.1179","","","","","","1.038","","","","has coordinates","223642","2020-10-21","18:00:00","" "7232378","9.6393","0.0004","12.2016","0.0006","19.0185","0.0007","105.771","0.004","99.826","0.003","99.967","0.004","2063.48","0.17","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H45 La N6 O24 -","- C30 H31 La N6 O17 -","- C60 H62 La2 N12 O34 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0736","0.0671","","","0.1801","0.1883","","","","","","1.087","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00","" "7232379","9.4141","0.0003","12.0776","0.0003","18.7454","0.0005","105.103","0.002","98.057","0.002","99.489","0.002","1991.7","0.1","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C31 H31 Br2 F3 N3 Nd O11 S -","- C31 H31 Br2 F3 N3 Nd O11 S -","- C62 H62 Br4 F6 N6 Nd2 O22 S2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0378","0.0367","","","0.0944","0.0952","","","","","","1.05","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00","" "7232380","18.5943","0.0002","25.8101","0.0004","9.772","0.00013","90","","102.343","0.0013","90","","4581.38","0.11","123","0.1","123","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.58 H47 Br1.42 F4.73 N3 O21.15 S1.58 Tb -","- C31.577 H31 Br1.423 F4.731 N3 O13.154 S1.577 Tb -","- C126.308 H124 Br5.692 F18.924 N12 O52.616 S6.308 Tb4 -","4","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0637","0.0571","","","0.1567","0.1651","","","","","","1.04","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00","" "7232381","18.6774","0.0006","25.6718","0.0007","9.756","0.0003","90","","102.421","0.003","90","","4568.3","0.2","123","0.1","123","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.55 H43 Br1.45 Eu F4.64 N3 O19.1 S1.55 -","- C31.548 H31 Br1.452 Eu F4.644 N3 O13.096 S1.548 -","- C126.192 H124 Br5.808 Eu4 F18.576 N12 O52.384 S6.192 -","4","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0987","0.0835","","","0.2359","0.2492","","","","","","1.08","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00","" "7232382","10.1269","0.0003","14.2176","0.0004","34.2981","0.0006","89.1178","0.0019","87.111","0.002","87.308","0.003","4926.1","0.2","123","0.1","123","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C65.9 H86 Br0.1 F17.7 N6 O47.45 S5.9 Sm2 -","- C65.9 H62 Br0.1 F17.7 N6 O35.45 S5.9 Sm2 -","- C131.8 H124 Br0.2 F35.4 N12 O70.9 S11.8 Sm4 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0845","0.0694","","","0.176","0.1891","","","","","","1.022","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00","" "7232383","9.5796","0.0003","12.0095","0.0007","18.6284","0.0005","104.551","0.004","98.841","0.003","102.169","0.004","1978.82","0.16","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H41 N6 O22 Y -","- C30 H31 N6 O17 Y -","- C60 H62 N12 O34 Y2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0593","0.0551","","","0.1496","0.1527","","","","","","1.109","","","","has coordinates","223642","2020-10-21","18:00:00","" "7232384","8.7309","0.0009","12.2707","0.0011","19.3079","0.0011","106.661","0.007","100.429","0.007","91.716","0.008","1941.6","0.3","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H44 Br2 N3 Nd O15 -","- C32 H44 Br2 N3 Nd O15 -","- C64 H88 Br4 N6 Nd2 O30 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0272","0.0251","","","0.0589","0.06","","","","","","1.007","","","","has coordinates","223642","2020-10-21","18:00:00","" "7232385","9.5948","0.0006","12.3229","0.0009","18.8983","0.0013","106.033","0.006","99.619","0.006","99.928","0.006","2060.3","0.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H43 N6 Nd O23 -","- C30 H31 N6 Nd O18.001 -","- C60 H62 N12 Nd2 O36.002 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0415","0.0401","","","0.1081","0.1098","","","","","","1.03","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00","" "7232386","9.1863","0.0006","16.2887","0.0012","17.375","0.0014","90","","99.022","0.007","90","","2567.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H29.5 N5.5 O6 Zn -","- C23 H29.5 N5.5 O6 Zn -","- C92 H118 N22 O24 Zn4 -","4","1","","Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua","Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds","CrystEngComm","2019","21","14","2333","","10.1039/C9CE00005D","","","0.71073","MoKα","","0.0621","0.055","","","0.1416","0.1467","","","","","","1.156","","","","has coordinates,has disorder","223645","2020-10-21","18:00:00","" "7232387","9.7202","0.0006","23.5966","0.0013","12.3749","0.0007","90","","111.874","0.008","90","","2634","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H44 N10 O10 Zn2 -","- C60 H44 N10 O10 Zn2 -","- C120 H88 N20 O20 Zn4 -","2","0.5","","Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua","Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds","CrystEngComm","2019","21","14","2333","","10.1039/C9CE00005D","","","0.71073","MoKα","","0.1285","0.0612","","","0.1045","0.1222","","","","","","1.006","","","","has coordinates","223645","2020-10-21","18:00:00","" "7232388","8.8216","0.0004","17.2271","0.0009","18.351","0.0009","90","","102.417","0.007","90","","2723.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 N10 O12 Zn2 -","- C52 H52 N10 O12 Zn2 -","- C104 H104 N20 O24 Zn4 -","2","0.5","","Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua","Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds","CrystEngComm","2019","21","14","2333","","10.1039/C9CE00005D","","","0.71073","MoKα","","0.1425","0.0785","","","0.153","0.1786","","","","","","1.079","","","","has coordinates","223645","2020-10-21","18:00:00","" "7232389","9.1986","0.0007","24.7507","0.0016","12.266","0.0008","90","","111.586","0.008","90","","2596.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N7 O6 Zn -","- C28 H21 N7 O6 Zn -","- C112 H84 N28 O24 Zn4 -","4","1","","Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua","Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds","CrystEngComm","2019","21","14","2333","","10.1039/C9CE00005D","","","0.71073","MoKα","","0.0392","0.031","","","0.0741","0.0773","","","","","","1.018","","","","has coordinates","223645","2020-10-21","18:00:00","" "7232391","7.0839","0.0003","10.8648","0.0006","10.9553","0.0006","90.615","0.005","94.232","0.004","107.982","0.005","799.3","0.07","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl N3 O3 -","- C16 H18 Cl N3 O3 -","- C32 H36 Cl2 N6 O6 -","2","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","x-ray","0.71073","MoKα","","0.0546","0.0487","","","0.1276","0.1368","","","","","","1.099","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232392","11.8236","0.0006","8.6618","0.0003","12.0259","0.0006","90","","113.493","0.006","90","","1129.53","0.1","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N3 O4 -","- C12 H9 N3 O4 -","- C48 H36 N12 O16 -","4","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","x-ray","0.71073","MoKα","","0.04","0.0363","","","0.0946","0.0983","","","","","","1.077","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232393","7.0323","0.0003","8.6204","0.0004","13.7182","0.0006","105.738","0.002","94.77","0.002","103.82","0.002","767.47","0.06","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N4 O3 -","- C16 H16 N4 O3 -","- C32 H32 N8 O6 -","2","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","","0.71073","MoKα","","0.0372","0.0324","","","0.0903","0.102","","","","","","1.099","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232394","3.9393","0.0001","13.8586","0.0004","21.9545","0.0007","90","","93.737","0.003","90","","1196.02","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Br N2 O3 -","- C12 H11 Br N2 O3 -","- C48 H44 Br4 N8 O12 -","4","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","x-ray","0.71073","MoKα","","0.0365","0.0309","","","0.0715","0.0761","","","","","","1.101","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232395","3.9592","0.0002","13.8353","0.0007","22.1033","0.0011","90","","93.241","0.005","90","","1208.81","0.11","298","0.2","298","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Cl N2 O3 -","- C12 H11 Cl N2 O3 -","- C48 H44 Cl4 N8 O12 -","4","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","x-ray","0.71073","MoKα","","0.0757","0.058","","","0.1605","0.1889","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232396","10.0695","0.0011","4.478","0.0005","23.887","0.003","90","","92.333","0.003","90","","1076.2","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O2 -","- C13 H9 N3 O2 -","- C52 H36 N12 O8 -","4","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","","0.71073","MoKα","","0.0782","0.051","","","0.1367","0.1544","","","","","","1.087","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232397","8.455","0.003","9.0629","0.0013","9.75","0.02","90","","90.82","0.09","90","","747","1.6","293","2","293","2","","","101.325","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0682","0.0493","","","0.1218","0.1554","","","","","","1.165","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232398","8.2704","0.0011","8.9463","0.0009","9.698","0.016","90","","90.54","0.04","90","","717.5","1.2","293","2","293","2","","","140000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.1003","0.0777","","","0.1946","0.2365","","","","","","1.094","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232399","7.8573","0.0004","8.5876","0.0004","9.533","0.005","90","","90.103","0.011","90","","643.2","0.3","293","2","293","2","","","1375000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0615","0.0496","","","0.1095","0.1211","","","","","","1.112","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232400","8.1489","0.0007","8.8529","0.0005","9.679","0.01","90","","90.55","0.02","90","","698.2","0.7","293","2","293","2","","","350000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0751","0.0575","","","0.1487","0.1706","","","","","","1.102","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232401","7.78108","0.00018","8.47624","0.00015","9.491","0.002","90","","89.76","0.006","90","","625.97","0.13","293","2","293","2","","","1985000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0744","0.0635","","","0.1762","0.1966","","","","","","0.995","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232402","7.75291","0.00015","8.41359","0.00013","9.4554","0.0019","90","","89.589","0.005","90","","616.76","0.12","293","2","293","2","","","2375000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0782","0.0667","","","0.1763","0.1972","","","","","","1.15","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232403","6.6822","0.0005","8.4144","0.0004","10.572","0.006","90","","90","","90","","594.4","0.3","293","2","293","2","","","2510000","","","","","2","P 21 21 21","P 2ac 2ab","19","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","1","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0998","0.067","","","0.1892","0.2263","","","","","","1.102","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232404","6.528","0.0002","8.351","0.0003","10.604","0.004","90","","90","","90","","578.1","0.2","293","2","293","2","","","3065000","","","","","2","P 21 21 21","P 2ac 2ab","19","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","1","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0529","0.0456","","","0.1161","0.1268","","","","","","1.134","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232405","6.6082","0.0004","8.3753","0.0004","10.595","0.006","90","","90","","90","","586.4","0.3","293","2","293","2","","","2780000","","","","","2","P 21 21 21","P 2ac 2ab","19","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","1","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0572","0.0519","","","0.1398","0.1494","","","","","","1.13","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232406","7.8138","0.0002","8.5286","0.0002","9.499","0.004","90","","89.91","0.008","90","","633","0.3","293","2","293","2","","","1700000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0717","0.0522","","","0.1297","0.1533","","","","","","1.09","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232407","8.0397","0.0002","8.7626","0.0002","9.644","0.003","90","","90.266","0.007","90","","679.4","0.2","293","2","293","2","","","625000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.1025","0.0781","","","0.2111","0.2579","","","","","","1.086","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232408","13.5987","0.0004","24.837","0.0006","17.1946","0.0005","90","","92.056","0.003","90","","5803.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H48 N4 O11 Zn2 -","- C68 H48 N4 O11 Zn2 -","- C272 H192 N16 O44 Zn8 -","4","1","","Bommakanti, Suresh; Das, Samar K.","A quantitative transmetalation with a metal organic framework compound in a solid‒liquid interface reaction: synthesis, structure, kinetics, spectroscopy and electrochemistry","CrystEngComm","2019","21","14","2438","","10.1039/C9CE00021F","","","0.71073","MoKα","","0.1085","0.0573","","","0.1246","0.1418","","","","","","1.091","","","","has coordinates","223643","2020-10-21","18:00:00","" "7232409","13.5686","0.0004","24.9419","0.0007","17.0814","0.0006","90","","91.796","0.003","90","","5778","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H48 Cu2 N4 O11 -","- C68 H48 Cu2 N4 O11 -","- C272 H192 Cu8 N16 O44 -","4","1","","Bommakanti, Suresh; Das, Samar K.","A quantitative transmetalation with a metal organic framework compound in a solid‒liquid interface reaction: synthesis, structure, kinetics, spectroscopy and electrochemistry","CrystEngComm","2019","21","14","2438","","10.1039/C9CE00021F","","","0.71073","MoKα","","0.1343","0.0617","","","0.1338","0.1562","","","","","","1.034","","","","has coordinates","223643","2020-10-21","18:00:00","" "7232410","16.174","0.002","16.174","0.002","16.357","0.003","90","","90","","90","","4279","1.1","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","Compound 3","","- C24 H12 Cu N O5 -","- C24 H12 Cu N O5 -","- C192 H96 Cu8 N8 O40 -","8","1","","Bommakanti, Suresh; Das, Samar K.","A quantitative transmetalation with a metal organic framework compound in a solid‒liquid interface reaction: synthesis, structure, kinetics, spectroscopy and electrochemistry","CrystEngComm","2019","21","14","2438","","10.1039/C9CE00021F","","","0.71073","MoKα","","0.074","0.0621","","","0.1465","0.153","","","","","","1.045","","","","has coordinates","223643","2020-10-21","18:00:00","" "7232411","8.7777","0.001","11.1568","0.0015","21.241","0.003","90","","96.632","0.004","90","","2066.2","0.5","150","","150","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 I N S2 -","- C9 H6 I N S2 -","- C72 H48 I8 N8 S16 -","8","1","","Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors","CrystEngComm","2019","21","12","1934","","10.1039/C8CE02046A","","x-ray","0.71073","MoKα","","0.0336","0.0307","","","0.0974","0.1095","","","","","","1.101","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232412","4.1078","0.0007","24.675","0.005","13.943","0.003","90","","118.785","0.007","90","","1238.6","0.4","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 I N O S4 -","- C10 H4 I N O S4 -","- C40 H16 I4 N4 O4 S16 -","4","1","","Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors","CrystEngComm","2019","21","12","1934","","10.1039/C8CE02046A","","x-ray","0.71073","MoKα","","0.1094","0.0758","","","0.1622","0.1758","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232413","12.526","0.0018","14.352","0.002","14.522","0.002","117.141","0.004","95.478","0.005","100.638","0.005","2234.6","0.6","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H8 I2 N2 S6 -","- C18 H8 I2 N2 S6 -","- C72 H32 I8 N8 S24 -","4","2","","Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors","CrystEngComm","2019","21","12","1934","","10.1039/C8CE02046A","","x-ray","0.71073","MoKα","","0.1793","0.116","","","0.3164","0.3626","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232414","8.1394","0.0007","6.9798","0.0007","22.487","0.002","90","","94.788","0.003","90","","1273.1","0.2","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 I N O S4 -","- C10 H4 I N O S4 -","- C40 H16 I4 N4 O4 S16 -","4","1","","Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors","CrystEngComm","2019","21","12","1934","","10.1039/C8CE02046A","","x-ray","0.71073","MoKα","","0.0337","0.0306","","","0.0814","0.0834","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232415","12.96","0.005","19.166","0.005","20.622","0.005","77.511","0.005","75.913","0.005","83.394","0.005","4840","3","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C0 H0 Cs9 K9 Mn Na0 Nb12 O199 Si4 W36 -","- Cs9 K9 Mn Nb12 O199 Si4 W36 -","- Cs9 K9 Mn Nb12 O199 Si4 W36 -","1","0.5","","Wu, Hai-Yang; Huang, Min; Qin, Chao; Wang, Xin-Long; Hu, Hai; Huang, Peng; Su, Zhong-Min","Self-assembly and Li-ion storage performance of three new Nb/W mixed-addendum polyoxometalates based on the {SiNb3W9O40} clusters and transition-metal cations","CrystEngComm","2019","21","12","1862","","10.1039/C8CE01626G","","","0.71069","MoKα","","0.1159","0.0664","","","0.1665","0.1906","","","","","","1.023","","","","has coordinates","223732","2020-10-21","18:00:00","" "7232416","13.01","0.005","19.204","0.005","20.756","0.005","77.307","0.005","75.046","0.005","83.226","0.005","4877","3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C0 H0 Cs14 K4 Nb12 Ni O199 Si4 W36 -","- Cs14 K4 Nb12 Ni O199 Si4 W36 -","- Cs14 K4 Nb12 Ni O199 Si4 W36 -","1","0.5","","Wu, Hai-Yang; Huang, Min; Qin, Chao; Wang, Xin-Long; Hu, Hai; Huang, Peng; Su, Zhong-Min","Self-assembly and Li-ion storage performance of three new Nb/W mixed-addendum polyoxometalates based on the {SiNb3W9O40} clusters and transition-metal cations","CrystEngComm","2019","21","12","1862","","10.1039/C8CE01626G","","","0.71069","MoKα","","0.1371","0.0917","","","0.2492","0.2897","","","","","","1.056","","","","has coordinates","223732","2020-10-21","18:00:00","" "7232417","12.999","0.005","19.174","0.005","20.681","0.005","77.303","0.005","75.251","0.005","83.327","0.005","4853","3","293","2","293","2","","","","","","","","11","P -1","-P 1","2","","","","- C0 H0 Ca0 Co Cs11 K4 Na3 Nb12 O187 Si4 W36 -","- Co Cs11 K4 Na3 Nb12 O187 Si4 W36 -","- Co Cs11 K4 Na3 Nb12 O187 Si4 W36 -","1","0.5","","Wu, Hai-Yang; Huang, Min; Qin, Chao; Wang, Xin-Long; Hu, Hai; Huang, Peng; Su, Zhong-Min","Self-assembly and Li-ion storage performance of three new Nb/W mixed-addendum polyoxometalates based on the {SiNb3W9O40} clusters and transition-metal cations","CrystEngComm","2019","21","12","1862","","10.1039/C8CE01626G","","","0.71069","MoKα","","0.1152","0.0695","","","0.179","0.2085","","","","","","1.055","","","","has coordinates","223732","2020-10-21","18:00:00","" "7232418","3.7235","0.0002","23.3797","0.001","7.9055","0.0003","90","","96.548","0.004","90","","683.72","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl2 Cu N4 O2 -","- C12 H12 Cl2 Cu N4 O2 -","- C24 H24 Cl4 Cu2 N8 O4 -","2","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","x-ray","0.71073","MoKα","","0.0351","0.0324","","","0.09","0.0915","","","","","","1.067","","","","has coordinates","223730","2020-10-21","18:00:00","" "7232419","24.171","0.004","3.7103","0.0005","32.824","0.005","90","","111.493","0.005","90","","2739","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl2 Cu N4 O2 -","- C12 H12 Cl2 Cu N4 O2 -","- C96 H96 Cl16 Cu8 N32 O16 -","8","1","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.0742","0.0652","","","0.1799","0.1843","","","","","","1.102","","","","has coordinates","223730","2020-10-21","18:00:00","" "7232420","3.8846","0.0007","23.76","0.005","7.9582","0.0013","90","","96.19","0.016","90","","730.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Br2 Cu N4 O2 -","- C12 H12 Br2 Cu N4 O2 -","- C24 H24 Br4 Cu2 N8 O4 -","2","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.0609","0.0481","","","0.075","0.0779","","","","","","1.2","","","","has coordinates","223730","2020-10-21","18:00:00","" "7232421","3.797","0.0007","6.8449","0.0014","13.71","0.003","104.357","0.006","90.019","0.008","92.757","0.006","344.77","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Br2 Cu N6 O2 -","- C10 H10 Br2 Cu N6 O2 -","- C10 H10 Br2 Cu N6 O2 -","1","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.0504","0.0371","","","0.0668","0.0709","","","","","","1.03","","","","has coordinates","223730","2020-10-21","18:00:00","" "7232423","3.661","0.0004","6.626","0.0007","13.7328","0.0015","76.315","0.003","89.743","0.003","85.572","0.003","322.67","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl2 Cu N6 O2 -","- C10 H10 Cl2 Cu N6 O2 -","- C10 H10 Cl2 Cu N6 O2 -","1","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.0503","0.0422","","","0.1097","0.114","","","","","","1.083","","","","has coordinates","223730","2020-10-21","18:00:00","" "7232424","3.9119","0.0007","13.828","0.002","13.5","0.002","90","","90.883","0.009","90","","730.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 Cu N4 O2 -","- C12 H12 Br2 Cu N4 O2 -","- C24 H24 Br4 Cu2 N8 O4 -","2","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.1148","0.0692","","","0.1306","0.1445","","","","","","1.12","","","","has coordinates","223730","2020-10-21","18:00:00","" "7232425","12.564","0.0003","4.80981","0.00007","15.8319","0.0003","90","","112.756","0.003","90","","882.26","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H30 N4 O4 -","- C12 H30 N4 O4 -","- C24 H60 N8 O8 -","2","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0542","0.0459","","","0.1216","0.1244","","","","","","1.078","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232426","4.84556","0.0001","20.5154","0.0005","21.945","0.0004","90","","90","","90","","2181.52","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H40 N4 O3 -","- C18 H40 N4 O3 -","- C72 H160 N16 O12 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0561","0.0507","","","0.123","0.1279","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232427","26.1681","0.0006","4.81178","0.00018","16.5261","0.0005","90","","105.807","0.003","90","","2002.2","0.11","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H35 N5 O4 -","- C14 H35 N5 O4 -","- C56 H140 N20 O16 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0592","0.0548","","","0.1514","0.1564","","","","","","1.077","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232428","25.636","0.0003","16.5436","0.0002","5.05085","0.00006","90","","90","","90","","2142.12","0.04","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H32 N4 O2 -","- C23 H32 N4 O2 -","- C92 H128 N16 O8 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.04","0.0385","","","0.103","0.1059","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232429","20.4259","0.0004","4.79492","0.00009","21.6606","0.0005","90","","102.636","0.002","90","","2070.07","0.08","293","2","293","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C15 H31.56 N4 O2 -","- C15 H31.7 N4 O2 -","- C60 H126.8 N16 O8 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0639","0.0613","","","0.1717","0.1775","","","","","","1.039","","","","has coordinates,has disorder","223650","2020-10-21","18:00:00","" "7232430","5.01883","0.00014","16.5007","0.0005","25.5451","0.0007","90","","90","","90","","2115.5","0.1","293","2","293","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C22 H31 N5 O2 -","- C22 H31 N5 O2 -","- C88 H124 N20 O8 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0451","0.0404","","","0.1084","0.1119","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232431","20.733","0.009","26.304","0.012","28.112","0.013","90","","90","","90","","15331","12","223","2","223","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C52 H28 Br16 N4 O9 V -","- C52 H28 Br16 N4 O9 V -","- C416 H224 Br128 N32 O72 V8 -","8","1","","Dar, Tawseef Ahmad; Uprety, Bhawna; Sankar, Muniappan; Maurya, Mannar R.","Robust and electron deficient oxidovanadium(iv) porphyrin catalysts for selective epoxidation and oxidative bromination reactions in aqueous media","Green Chemistry","2019","21","7","1757","","10.1039/C8GC03909G","","","0.71073","MoKα","","0.2234","0.0783","","","0.2369","0.3034","","","","","","1.024","","","","has coordinates","224622","2020-10-21","18:00:00","" "7232432","13.829","0.005","14.439","0.005","26.153","0.005","90","0.005","90","0.005","90","0.005","5222","3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27.5 H22 N3 O5 V0.5 -","- C27.5 H22 N3 O5 V0.5 -","- C220 H176 N24 O40 V4 -","8","1","","Dar, Tawseef Ahmad; Uprety, Bhawna; Sankar, Muniappan; Maurya, Mannar R.","Robust and electron deficient oxidovanadium(iv) porphyrin catalysts for selective epoxidation and oxidative bromination reactions in aqueous media","Green Chemistry","2019","21","7","1757","","10.1039/C8GC03909G","","","0.71073","MoKα","","0.2466","0.1927","","","0.5193","0.5556","","","","","","2.181","","","","has coordinates","224622","2020-10-21","18:00:00","" "7232433","12.6244","0.0003","15.2868","0.0004","38.1764","0.0008","90","","97.201","0.002","90","","7309.4","0.3","130","2","130","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C20 H18 F8 O10 Zn -","- C20 H18 F8 O10 Zn -","- C240 H216 F96 O120 Zn12 -","12","3","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0393","0.0284","","","0.0709","0.0771","","","","","","1.044","","","","has coordinates","223682","2020-10-21","18:00:00","" "7232434","19.7538","0.0004","10.54","0.0002","23.0099","0.0005","90","","90.091","0.002","90","","4790.77","0.17","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 F8 N2 O4 Zn -","- C24 H12 F8 N2 O4 Zn -","- C192 H96 F64 N16 O32 Zn8 -","8","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.032","0.0264","","","0.0628","0.0652","","","","","","1.047","","","","has coordinates","223682","2020-10-21","18:00:00","" "7232435","10.2288","0.0005","15.2173","0.0007","15.2087","0.0006","90","","90","","90","","2367.31","0.18","130","2","130","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C40 H28 F16 O14 Zn2 -","- C40 H28 F16 O14 Zn2 -","- C80 H56 F32 O28 Zn4 -","2","0.25","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0326","0.0314","","","0.077","0.0782","","","","","","1.034","","","","has coordinates,has disorder","223682","2020-10-21","18:00:00","" "7232436","14.925","0.0012","5.4485","0.0004","27.4123","0.0015","90","","101.413","0.006","90","","2185.1","0.3","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F8 N4 O5 Zn -","- C20 H12 F8 N4 O5 Zn -","- C80 H48 F32 N16 O20 Zn4 -","4","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0886","0.073","","","0.2119","0.2278","","","","","","1.05","","","","has coordinates","223682","2020-10-21","18:00:00","" "7232437","13.3346","0.0004","15.4645","0.0004","10.9486","0.0003","90","","94.46","0.003","90","","2250.91","0.11","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F8 O8 Zn -","- C19 H16 F8 O8 Zn -","- C76 H64 F32 O32 Zn4 -","4","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0416","0.0307","","","0.0684","0.0732","","","","","","1.044","","","","has coordinates,has disorder","223682","2020-10-21","18:00:00","" "7232438","17.6709","0.0004","18.1755","0.0007","17.705","0.0004","90","","91.349","0.002","90","","5684.9","0.3","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H106 F32 O45 Zn8 -","- C71 H52 F32 O32 Zn8 -","- C142 H104 F64 O64 Zn16 -","2","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0702","0.067","","","0.1851","0.1882","","","","","","1.032","","","","has coordinates,has disorder","223682","2020-10-21","18:00:00","" "7232439","10.474","0.0005","17.8233","0.0009","11.7087","0.0005","90","","107.009","0.0013","90","","2090.18","0.17","173","2","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H44 N2 O12 Zn3 -","- C40 H44 N2 O12 Zn3 -","- C80 H88 N4 O24 Zn6 -","2","1","","Liu, Meiying; Yu, Haiyang; Liu, Zhiliang","A pair of homochiral trinuclear Zn(ii) clusters exhibiting unusual ferroelectric behaviour at high temperature","CrystEngComm","2019","21","14","2355","","10.1039/C9CE00034H","","","0.71073","MoKα","","0.0621","0.06","","","0.1833","0.186","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232440","10.5958","0.0017","17.944","0.002","11.8027","0.0019","90","","107.323","0.006","90","","2142.3","0.5","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H44 N2 O12 Zn3 -","- C40 H44 N2 O12 Zn3 -","- C80 H88 N4 O24 Zn6 -","2","1","","Liu, Meiying; Yu, Haiyang; Liu, Zhiliang","A pair of homochiral trinuclear Zn(ii) clusters exhibiting unusual ferroelectric behaviour at high temperature","CrystEngComm","2019","21","14","2355","","10.1039/C9CE00034H","","","0.71073","MoKα","","0.0692","0.0658","","","0.1942","0.1991","","","","","","1.069","","","","has coordinates","223649","2020-10-21","18:00:00","" "7232441","11.954","0.002","7.454","0.002","15.468","0.003","90","","95.33","0.03","90","","1372.3","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Botla, Vinayak; Pilli, NavyaSree; Malapaka, Chandrasekharam","Uncatalyzed, on water oxygenative cleavage of inert C–N bond with concomitant 8,7-amino shift in 8-aminoquinoline derivatives","Green Chemistry","2019","21","7","1735","","10.1039/C9GC00289H","","","0.71073","MoKα","","0.0749","0.0696","","","0.2049","0.2126","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232442","6.294","0.0003","10.6563","0.0007","5.5677","0.0004","90","","95.069","0.005","90","","371.97","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 N8 O4 Zn -","- C2 H4 N8 O4 Zn -","- C4 H8 N16 O8 Zn2 -","2","0.5","","Zhang, Qi; Chen, Dong; Jing, Dong; Fan, Guijuan; He, Liu; Li, Hongzhen; Wang, Wentao; Nie, Fude","Access to green primary explosives via constructing coordination polymers based on bis-tetrazole oxide and non-lead metals","Green Chemistry","2019","21","8","1947","","10.1039/C8GC03973A","","","0.71073","MoKα","","0.0533","0.0412","","","0.1183","0.1304","","","","","","1.113","","","","has coordinates","224602","2020-10-21","18:00:00","" "7232446","14.8436","0.0005","27.5747","0.0008","16.3246","0.0005","90","","90","","90","","6681.8","0.4","200","0.14","200","0.14","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H16 N6 O4 Zn2 -","- C24 H16 N6 O4 Zn2 -","- C192 H128 N48 O32 Zn16 -","8","1","","Mo, Zong-Wen; Huang, Ning-Yu; Wang, Chao; Ye, Zi-Ming; Zhou, Hao-Long; Zhou, Dong-Dong; Lin, Rui-Biao; Chen, Xiao-Ming; Zhang, Jie-Peng","Single-side and double-side swing behaviours of a flexible porous coordination polymer with a rhombic-lattice structure","CrystEngComm","2019","21","12","1872","","10.1039/C9CE00227H","","x-ray","1.54184","CuKα","","0.0851","0.0656","","","0.1785","0.1919","","","","","","1.085","","","","has coordinates","223735","2020-10-21","18:00:00","" "7232447","11.2067","0.0005","11.2671","0.0006","11.6106","0.0005","90","","104.136","0.004","90","","1421.64","0.12","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N3 O2 Zn -","- C12 H8 N3 O2 Zn -","- C48 H32 N12 O8 Zn4 -","4","1","","Mo, Zong-Wen; Huang, Ning-Yu; Wang, Chao; Ye, Zi-Ming; Zhou, Hao-Long; Zhou, Dong-Dong; Lin, Rui-Biao; Chen, Xiao-Ming; Zhang, Jie-Peng","Single-side and double-side swing behaviours of a flexible porous coordination polymer with a rhombic-lattice structure","CrystEngComm","2019","21","12","1872","","10.1039/C9CE00227H","","x-ray","1.54184","CuKα","","0.0655","0.0463","","","0.119","0.1315","","","","","","1.031","","","","has coordinates","223735","2020-10-21","18:00:00","" "7232448","13.5403","0.0003","14.7298","0.0003","16.54","0.0003","90","","90.2418","0.0018","90","","3298.81","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 N6 O4 Zn2 -","- C24 H16 N6 O4 Zn2 -","- C96 H64 N24 O16 Zn8 -","4","0.5","","Mo, Zong-Wen; Huang, Ning-Yu; Wang, Chao; Ye, Zi-Ming; Zhou, Hao-Long; Zhou, Dong-Dong; Lin, Rui-Biao; Chen, Xiao-Ming; Zhang, Jie-Peng","Single-side and double-side swing behaviours of a flexible porous coordination polymer with a rhombic-lattice structure","CrystEngComm","2019","21","12","1872","","10.1039/C9CE00227H","","x-ray","1.54184","CuKα","","0.039","0.0369","","","0.113","0.1149","","","","","","1.112","","","","has coordinates,has disorder","223735","2020-10-21","18:00:00","" "7232449","8.2598","0.0006","13.977","0.0011","30.125","0.002","90","","90","","90","","3477.8","0.4","291","2","291","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C61 H60 N16 O14 Zn2 -","- C61 H60 N16 O14 Zn2 -","- C122 H120 N32 O28 Zn4 -","2","0.5","","Yao, Xiao-Qiang; Xiao, Guo-Bin; Xie, Hua; Qin, Dong-Dong; Ma, Heng-Chang; Liu, Jia-Cheng; Yan, Pen-Ji","Two triphenylamine-based luminescent metal‒organic frameworks as a dual-functional sensor for the detection of nitroaromatic compounds and ofloxacin antibiotic","CrystEngComm","2019","21","15","2559","","10.1039/C8CE02122H","","","0.71073","MoKα","","0.0733","0.0597","","","0.1303","0.1336","","","","","","1.074","","","","has coordinates","223681","2020-10-21","18:00:00","" "7232450","10.772","0.005","30.453","0.014","10.404","0.005","90","","102.632","0.007","90","","3330","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 N7 O7 Zn -","- C34 H31 N7 O7 Zn -","- C136 H124 N28 O28 Zn4 -","4","1","","Yao, Xiao-Qiang; Xiao, Guo-Bin; Xie, Hua; Qin, Dong-Dong; Ma, Heng-Chang; Liu, Jia-Cheng; Yan, Pen-Ji","Two triphenylamine-based luminescent metal‒organic frameworks as a dual-functional sensor for the detection of nitroaromatic compounds and ofloxacin antibiotic","CrystEngComm","2019","21","15","2559","","10.1039/C8CE02122H","","","0.71073","MoKα","","0.1108","0.071","","","0.1545","0.1646","","","","","","1.014","","","","has coordinates","223681","2020-10-21","18:00:00","" "7232451","12.8262","0.0005","9.7712","0.0004","11.9065","0.0005","90","","94.822","0.001","90","","1486.93","0.1","99.96","","99.96","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu(en-N)(en-N,N')](NO3)2","(ethylenediamine-N)-bis(ethylenediamine-N,N')-copper(II) bis(nitrate)","","- C6 H24 Cu N8 O6 -","- C6 H24 Cu N8 O6 -","- C24 H96 Cu4 N32 O24 -","4","1","","Sharma, Jai; Jiang, Zhelong; Bhutani, Ankita; Behera, Piush; Shoemaker, Daniel P.","A unique copper coordination structure with both mono- and bi-dentate ethylenediamine ligands","CrystEngComm","2019","21","17","2718","","10.1039/C8CE02188K","","x-ray","0.71073","MoKα","","0.0235","0.0204","","","0.0477","0.0489","","","","","","1.092","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232452","11.9283","0.0006","6.5439","0.0003","6.8123","0.0003","90","","105.114","0.002","90","","513.36","0.04","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C20 H24 N8 O2 -","2","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag–π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0483","0.0437","","","0.1189","0.1223","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232453","20.5483","0.0012","16.1886","0.001","4.8655","0.0002","90","","90","","90","","1618.5","0.15","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H14 Ag2 N6 O7 -","- C11 H14 Ag2 N6 O7 -","- C44 H56 Ag8 N24 O28 -","4","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0318","0.025","","","0.0584","0.0626","","","","","","1.027","","","","has coordinates,has disorder","223736","2020-10-21","18:00:00","" "7232454","6.1112","0.0003","9.566","0.0005","10.6221","0.0006","63.173","0.002","82.885","0.002","89.971","0.002","548.79","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H14 Ag2 F6 N4 O8 S2 -","- C12 H14 Ag2 F6 N4 O8 S2 -","- C12 H14 Ag2 F6 N4 O8 S2 -","1","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0211","0.0204","","","0.0477","0.048","","","","","","1.052","","","","has coordinates","223736","2020-10-21","18:00:00","" "7232455","10.6098","0.0004","7.332","0.0003","16.7744","0.0007","90","","101.451","0.002","90","","1278.92","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Ag2 N4 O6 S2 -","- C24 H24 Ag2 N4 O6 S2 -","- C48 H48 Ag4 N8 O12 S4 -","2","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0642","0.0474","","","0.1134","0.1239","","","","","","1.05","","","","has coordinates","223736","2020-10-21","18:00:00","" "7232456","13.5975","0.0007","13.8536","0.0007","19.2691","0.0009","90","","92.402","0.003","90","","3626.6","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H32 Ag2 Cl2 F6 N12 Si -","- C31 H32 Ag2 Cl2 F6 N12 Si -","- C124 H128 Ag8 Cl8 F24 N48 Si4 -","4","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0791","0.0468","","","0.1132","0.1259","","","","","","1.048","","","","has coordinates","223736","2020-10-21","18:00:00","" "7232457","9.8391","0.0004","6.9334","0.0003","10.9235","0.0005","90","","103.517","0.002","90","","724.54","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Ag2 N6 O6 -","- C10 H10 Ag2 N6 O6 -","- C20 H20 Ag4 N12 O12 -","2","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0205","0.0194","","","0.0446","0.0454","","","","","","1.049","","","","has coordinates","223736","2020-10-21","18:00:00","" "7232458","31.402","0.006","21.109","0.004","31.916","0.006","90","","112.57","0.03","90","","19536","8","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C122 H72 Co4 N16 O16 -","- C122 H72 Co4 N16 O16 -","- C488 H288 Co16 N64 O64 -","4","1","","Hua, Carol; D'Alessandro, Deanna M.","Electrochemical and spectroscopic properties of a cobalt framework with (3,7)-c topology","CrystEngComm","2019","21","14","2381","","10.1039/C9CE00050J","","","0.71073","Synchrotron","","0.0924","0.0751","","","0.2312","0.2443","","","","","","1.086","","","","has coordinates","223644","2020-10-21","18:00:00","" "7232459","12.1508","0.0008","14.253","0.0008","14.6096","0.0015","109.838","0.002","105.079","0.002","105.393","0.002","2116.6","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C80 H104 Cd2 N10 O20 -","- C80 H104 Cd2 N10 O20 -","- C80 H104 Cd2 N10 O20 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0561","0.0354","","","0.0804","0.0887","","","","","","1.006","","","","has coordinates","223677","2020-10-21","18:00:00","" "7232460","7.3028","0.0001","9.9693","0.0002","12.9323","0.0002","97.374","0.001","99.698","0.001","92.89","0.001","917.89","0.03","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H44 Cd N4 O10 S2 -","- C30 H44 Cd N4 O10 S2 -","- C30 H44 Cd N4 O10 S2 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.025","0.0241","","","0.0585","0.0591","","","","","","1.006","","","","has coordinates","223677","2020-10-21","18:00:00","" "7232461","12.4212","0.0004","14.1095","0.0005","15.4139","0.0008","105.001","0.002","101.599","0.002","111.566","0.001","2290.95","0.17","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C86 H116 Cd2 N10 O20 -","- C86 H116 Cd2 N10 O20 -","- C86 H116 Cd2 N10 O20 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0724","0.0522","","","0.1275","0.1409","","","","","","0.994","","","","has coordinates","223677","2020-10-21","18:00:00","" "7232462","7.4499","0.0003","9.9281","0.0004","12.0888","0.0005","88.806","0.001","72.724","0.001","84.926","0.001","850.43","0.06","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H40 Cd N4 O10 S2 -","- C28 H40 Cd N4 O10 S2 -","- C28 H40 Cd N4 O10 S2 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0239","0.0231","","","0.0548","0.0552","","","","","","1.091","","","","has coordinates","223677","2020-10-21","18:00:00","" "7232463","23.888","0.0006","14.0385","0.0003","9.7174","0.0003","90","","97.927","0.001","90","","3227.61","0.15","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H36 Cd N4 O12 S2 -","- C26 H36 Cd N4 O12 S2 -","- C104 H144 Cd4 N16 O48 S8 -","4","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0675","0.0567","","","0.1532","0.1634","","","","","","1.069","","","","has coordinates","223677","2020-10-21","18:00:00","" "7232464","9.5864","0.0001","12.4322","0.0002","15.9217","0.0002","69.205","0.001","72.478","0.001","73.295","0.001","1656.57","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H38 Cd N6 O12 -","- C28 H38 Cd N6 O12 -","- C56 H76 Cd2 N12 O24 -","2","2","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0533","0.0467","","","0.1237","0.1304","","","","","","1.079","","","","has coordinates","223677","2020-10-21","18:00:00","" "7232465","16.927","0.012","11.672","0.012","5.263","0.004","90","","107.16","0.01","90","","993.5","1.5","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Bi3 Fe Mo2 O12 -","- Bi3 Fe Mo2 O12 -","- Bi12 Fe4 Mo8 O48 -","4","0.5","","Li, Conggang; Gao, Zeliang; Tian, Xiangxin; Zhang, Junjie; Ju, Dianxing; Wu, Qian; Lu, Weiqun; Sun, Youxuan; Cui, Deliang; Tao, Xutang","Bulk crystal growth and characterization of the bismuth ferrite-based material Bi3FeO4(MoO4)2","CrystEngComm","2019","21","15","2508","","10.1039/C8CE02137F","","","0.71073","MoKα","","0.0584","0.0482","","","0.1203","0.1254","","","","","","1.018","","","","has coordinates","223678","2020-10-21","18:00:00","" "7232466","9.6376","0.0009","8.3094","0.0008","14.8885","0.0014","90","","92.042","0.001","90","","1191.6","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","","Tang, Zhi; Tong, Zhou; Xu, Zhihui; Au, Chak-Tong; Qiu, Renhua; Yin, Shuang-Feng","Recyclable nickel-catalyzed C–H/O–H dual functionalization of phenols with mandelic acids for the synthesis of 3-aryl benzofuran-2(3H)-ones under solvent-free conditions","Green Chemistry","2019","21","8","2015","","10.1039/C9GC00305C","","","0.71073","MoKα","","0.0481","0.0407","","","0.1062","0.1111","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232467","12.768","0.003","14.165","0.003","13.588","0.003","90","","111.994","0.006","90","","2278.7","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 Cl4 Ir N3 O -","- C19 H26 Cl4 Ir N3 O -","- C76 H104 Cl16 Ir4 N12 O4 -","4","1","","Chakrabarti, Kaushik; Maji, Milan; Kundu, Sabuj","Cooperative iridium complex-catalyzed synthesis of quinoxalines, benzimidazoles and quinazolines in water","Green Chemistry","2019","21","8","1999","","10.1039/C8GC03744B","","","0.71073","MoKα","","0.0257","0.0228","","","0.0573","0.0591","","","","","","1.069","","","","has coordinates","224603","2020-10-21","18:00:00","" "7232468","9.9995","0.0003","10.3691","0.0003","12.6092","0.0003","90","","101.192","0.001","90","","1282.53","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N2 O3 -","- C13 H17 N2 O3 -","- C52 H68 N8 O12 -","4","1","","Sun, Zhen; Li, Zheng; Liao, Wei-Wei","An organocatalytic hydroalkoxylation/Claisen rearrangement/Michael addition tandem sequence: divergent synthesis of multi-substituted 2,3-dihydrofurans and 2,3-dihydropyrroles from cyanohydrins","Green Chemistry","2019","21","7","1614","","10.1039/C8GC03978J","","","0.71073","MoKα","","0.0602","0.0589","","","0.1366","0.1374","","","","","","1.09","","","","has coordinates","224623","2020-10-21","18:00:00","" "7232469","12.28107","0.00012","25.8112","0.0003","11.74661","0.00012","90","","102.728","0.001","90","","3632.05","0.07","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Ag5 F3 N1.5 O2 S4 -","- C26 H42 Ag5 F3 N1.5 O2 S4 -","- C104 H168 Ag20 F12 N6 O8 S16 -","4","1","","Wang, Jie; Li, Yan-Ling; Wang, Zhao-Yang; Zang, Shuang-Quan","A robust wave-like silver‒thiolate chain based metal‒organic network: synthesis, structure and luminescence","CrystEngComm","2019","21","14","2264","","10.1039/C9CE00054B","","x-ray","1.54184","CuKα","","0.0546","0.0518","","","0.1369","0.1389","","","","","","1.047","","","","has coordinates,has disorder","223647","2020-10-21","18:00:00","" "7232470","23.393","0.01","9.538","0.004","15.832","0.007","90","","90","","90","","3532","3","203","2","203","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C34 H46 N4 O6 -","- C34 H46 N4 O6 -","- C136 H184 N16 O24 -","4","0.5","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","0.71073","MoKα","","0.1744","0.0866","","","0.2404","0.2946","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232471","7.727","0.002","11.231","0.003","17.977","0.005","73.848","0.004","79.22","0.004","86.104","0.004","1471.8","0.7","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 F6 I2 N2 O4 -","- C28 H24 F6 I2 N2 O4 -","- C56 H48 F12 I4 N4 O8 -","2","1","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","0.71073","MoKα","","0.0533","0.0452","","","0.1425","0.1596","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232472","9.613","0.0006","15.5774","0.001","16.88","0.0011","69.045","0.002","76.089","0.002","82.935","0.002","2289.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H50 F8 I2 N4 O7 -","- C39 H46 F8 I2 N4 O7 -","- C78 H92 F16 I4 N8 O14 -","2","1","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","1.34138","GaKα","","0.0656","0.0588","","","0.1639","0.1694","","","","","","1.071","","","","has coordinates,has disorder","223610","2020-10-21","18:00:00","" "7232473","9.3189","0.0003","16.8147","0.0005","18.319","0.0006","116.249","0.001","96.238","0.001","100.841","0.001","2467.84","0.14","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H46 F6 I3 N4 O6 -","- C43 H46 F6 I3 N4 O6 -","- C86 H92 F12 I6 N8 O12 -","2","1","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","0.71073","MoKα","","0.0514","0.0359","","","0.0827","0.0919","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232474","8.6303","0.0002","14.1861","0.0004","31.0691","0.0009","90","","93.665","0.001","90","","3796.02","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N4 O10 -","- C38 H50 N4 O10 -","- C152 H200 N16 O40 -","4","1","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","1.34138","GaKα","","0.0749","0.0634","","","0.1737","0.186","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232475","43.58","0.009","41.907","0.008","12.364","0.002","90","","92.96","0.03","90","","22550","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","tris-silver-bis-N,N?,N?-tris(2-(pyridin-4-yl)ethyl)-1,3,5-benzenetricarboxamide triflate","","- C63 H60 Ag3 F9 N12 O15 S3 -","- C62 H60 Ag3 F6 N12 O12 S2 -","- C496 H480 Ag24 F48 N96 O96 S16 -","8","1","","Lee, Daseul; Kim, Dongwon; Lee, Haeri; Noh, Tae Hwan; Lee, Young-A; Jung, Ok-Sang","Adsorption of anthracene substitutes into suprachannels: bulk vs. included guests","CrystEngComm","2019","21","14","2303","","10.1039/C8CE02185F","","","0.75","synchrotron","","0.1514","0.1324","","","0.4096","0.4536","","","","","","1.99","","","","has coordinates,has disorder","223648","2020-10-21","18:00:00","" "7232476","4.4942","0.0006","16.396","0.002","9.0283","0.0012","90","","89.977","0.007","90","","665.27","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N O4 -","- C6 H7 N O4 -","- C24 H28 N4 O16 -","4","1","","Joseph, Abhinav; Rodrigues Alves, Joana S.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid","CrystEngComm","2019","21","13","2220","","10.1039/C8CE02108B","","","0.71073","MoKα","","0.0826","0.0389","","","0.0672","0.0739","","","","","","0.761","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232477","5.2351","0.0003","22.4779","0.0013","8.4174","0.0005","90","","94.301","0.004","90","","987.72","0.1","167","2","167","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O4 S -","- C8 H11 N O4 S -","- C32 H44 N4 O16 S4 -","4","1","","Joseph, Abhinav; Rodrigues Alves, Joana S.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid","CrystEngComm","2019","21","13","2220","","10.1039/C8CE02108B","","","0.71073","MoKα","","0.0681","0.0482","","","0.106","0.1126","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232478","4.5039","0.0001","16.389","0.0006","8.8561","0.0003","90","","91.271","0.002","90","","653.55","0.04","167","2","167","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N O4 -","- C6 H7 N O4 -","- C24 H28 N4 O16 -","4","1","","Joseph, Abhinav; Rodrigues Alves, Joana S.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid","CrystEngComm","2019","21","13","2220","","10.1039/C8CE02108B","","","0.71069","MoKα","","0.0418","0.0328","","","0.0893","0.0934","","","","","","1.076","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232479","5.2638","0.0007","22.58","0.003","8.5353","0.0011","90","","93.269","0.007","90","","1012.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O4 S -","- C8 H11 N O4 S -","- C32 H44 N4 O16 S4 -","4","1","","Joseph, Abhinav; Rodrigues Alves, Joana S.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid","CrystEngComm","2019","21","13","2220","","10.1039/C8CE02108B","","","0.71073","MoKα","","0.174","0.0742","","","0.2101","0.2378","","","","","","0.972","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232480","10.9713","0.0003","12.5068","0.0003","12.1087","0.0003","90","","90.476","0.001","90","","1661.45","0.07","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Hg I2 N3 O2 -","- C12 H13 Hg I2 N3 O2 -","- C48 H52 Hg4 I8 N12 O8 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0587","0.0552","","","0.1217","0.1229","","","","","","1.37","","","","has coordinates","223611","2020-10-21","18:00:00","" "7232481","7.9879","0.0014","13.791","0.002","12.334","0.002","90","","93.939","0.002","90","","1355.5","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Br2 Hg N3 O -","- C11 H9 Br2 Hg N3 O -","- C44 H36 Br8 Hg4 N12 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0846","0.0817","","","0.1776","0.1787","","","","","","1.421","","","","has coordinates","223611","2020-10-21","18:00:00","" "7232482","7.9213","0.0006","13.4161","0.001","11.9553","0.0009","90","","95.349","0.002","90","","1264.99","0.16","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cl2 Hg N3 O -","- C11 H9 Cl2 Hg N3 O -","- C44 H36 Cl8 Hg4 N12 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0952","0.0926","","","0.2072","0.2081","","","","","","1.528","","","","has coordinates","223611","2020-10-21","18:00:00","" "7232483","3.8737","0.0003","21.9191","0.0016","10.6759","0.0008","90","","95.751","0.002","90","","901.91","0.12","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0408","0.0346","","","0.0789","0.0817","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232484","8.0392","0.0007","14.4602","0.0012","12.4285","0.001","90","","92.449","0.002","90","","1443.5","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cd I2 N3 O -","- C11 H9 Cd I2 N3 O -","- C44 H36 Cd4 I8 N12 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0698","0.0601","","","0.1187","0.1242","","","","","","1.177","","","","has coordinates","223611","2020-10-21","18:00:00","" "7232485","12.3192","0.0003","22.2133","0.0006","24.4657","0.0013","90","","94.038","0.004","90","","6678.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H126 N18 Ni13 O98 P2 W18 -","- C32 H92 N18 Ni13 O98 P2 W18 -","- C64 H184 N36 Ni26 O196 P4 W36 -","2","0.5","","Zhang, Zhong; Wang, Yue-Lin; Li, Hai-Lou; Sun, Ke-Ning; Yang, Guo-Yu","Syntheses, structures and properties of three organic‒inorganic hybrid polyoxotungstates constructed from {Ni6PW9} building blocks: from isolated clusters to 2-D layers","CrystEngComm","2019","21","16","2641","","10.1039/C9CE00194H","","","0.71073","MoKα","","0.14","0.0862","","","0.1918","0.2179","","","","","","1.064","","","","has coordinates","223612","2020-10-21","18:00:00","" "7232486","13.3441","0.0003","14.2773","0.0003","36.0138","0.0011","90","","90","","90","","6861.3","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H67 N10 Ni7 O53 P W9 -","- C18 H47 N10 Ni7 O53 P W9 -","- C72 H188 N40 Ni28 O212 P4 W36 -","4","1","","Zhang, Zhong; Wang, Yue-Lin; Li, Hai-Lou; Sun, Ke-Ning; Yang, Guo-Yu","Syntheses, structures and properties of three organic‒inorganic hybrid polyoxotungstates constructed from {Ni6PW9} building blocks: from isolated clusters to 2-D layers","CrystEngComm","2019","21","16","2641","","10.1039/C9CE00194H","","","0.71073","MoKα","","0.057","0.051","","","0.1105","0.1137","","","","","","1.042","","","","has coordinates","223612","2020-10-21","18:00:00","" "7232487","21.5089","0.0016","21.5089","0.0016","58.751","0.005","90","","90","","120","","23539","3","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C16.67 H32 N6.67 Ni5 O33.67 P0.67 W6 -","- C16.6667 H4 N6.66667 Ni5 O33.6667 P0.666667 W6 -","- C300 H72 N120 Ni90 O606 P12 W108 -","18","1","","Zhang, Zhong; Wang, Yue-Lin; Li, Hai-Lou; Sun, Ke-Ning; Yang, Guo-Yu","Syntheses, structures and properties of three organic‒inorganic hybrid polyoxotungstates constructed from {Ni6PW9} building blocks: from isolated clusters to 2-D layers","CrystEngComm","2019","21","16","2641","","10.1039/C9CE00194H","","","0.71073","MoKα","","0.0941","0.0712","","","0.2003","0.2162","","","","","","1.044","","","","has coordinates","223612","2020-10-21","18:00:00","" "7232488","13.2457","0.0005","11.445","0.0005","13.8215","0.0006","90","","101.881","0.001","90","","2050.41","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Co3 N6 O18 -","- C40 H30 Co3 N6 O18 -","- C80 H60 Co6 N12 O36 -","2","0.5","","Kong, Jiao-Jiao; Jiang, Yu-Xuan; Zhang, Jia-Chen; Shao, Dong; Huang, Xing-Cai","Two-dimensional magnetic materials of cobalt(ii) triangular lattices constructed by a mixed benzimidazole‒dicarboxylate strategy","CrystEngComm","2019","21","15","2596","","10.1039/C9CE00129H","","","0.71073","MoKα","","0.0467","0.0344","","","0.0833","0.0882","","","","","","1.041","","","","has coordinates","223680","2020-10-21","18:00:00","" "7232489","13.306","0.006","9.76","0.004","18.493","0.008","90","","93.339","0.007","90","","2397.5","1.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Co3 N6 O16 -","- C46 H42 Co3 N6 O16 -","- C92 H84 Co6 N12 O32 -","2","0.5","","Kong, Jiao-Jiao; Jiang, Yu-Xuan; Zhang, Jia-Chen; Shao, Dong; Huang, Xing-Cai","Two-dimensional magnetic materials of cobalt(ii) triangular lattices constructed by a mixed benzimidazole‒dicarboxylate strategy","CrystEngComm","2019","21","15","2596","","10.1039/C9CE00129H","","","0.71073","MoKα","","0.0554","0.0457","","","0.1359","0.1519","","","","","","1.089","","","","has coordinates","223680","2020-10-21","18:00:00","" "7232490","25.3565","0.0011","9.444","0.0004","18.7778","0.0008","90","","105.363","0.001","90","","4336","0.3","150","2","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 Cl2 Co3 N4 O14 -","- C40 H30 Cl2 Co3 N4 O14 -","- C160 H120 Cl8 Co12 N16 O56 -","4","0.5","","Kong, Jiao-Jiao; Jiang, Yu-Xuan; Zhang, Jia-Chen; Shao, Dong; Huang, Xing-Cai","Two-dimensional magnetic materials of cobalt(ii) triangular lattices constructed by a mixed benzimidazole‒dicarboxylate strategy","CrystEngComm","2019","21","15","2596","","10.1039/C9CE00129H","","","0.71073","MoKα","","0.0462","0.0365","","","0.0889","0.0934","","","","","","1.026","","","","has coordinates,has disorder","223680","2020-10-21","18:00:00","" "7232492","11.921","0.003","16.418","0.004","10.642","0.002","90","","104.408","0.005","90","","2017.3","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","F5BAI-PyrThio2","","- C21 H9 F5 I N S2 -","- C21 H9 F5 I N S2 -","- C84 H36 F20 I4 N4 S8 -","4","1","","Johnson, Sarah N.; Ellington, Thomas L.; Ngo, Duong T.; Nevarez, Jorge L.; Sparks, Nicholas; Rheingold, Arnold L.; Watkins, Davita L.; Tschumper, Gregory S.","Probing non-covalent interactions driving molecular assembly in organo-electronic building blocks","CrystEngComm","2019","21","20","3151","","10.1039/C9CE00219G","","x-ray","0.71073","MoKα","K-L~3~","0.0306","0.0234","","","0.05","0.0526","","","","","","1.029","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24","" "7232493","8.698","0.0015","10.4998","0.0015","12.215","0.002","86.922","0.007","70.756","0.006","68.527","0.004","977.3","0.3","200","","200","","","","","","","","","6","P -1","-P 1","2","","F5BAI-PyrFur2","","- C21 H9 F5 I N O2 -","- C21 H9 F5 I N O2 -","- C42 H18 F10 I2 N2 O4 -","2","1","","Johnson, Sarah N.; Ellington, Thomas L.; Ngo, Duong T.; Nevarez, Jorge L.; Sparks, Nicholas; Rheingold, Arnold L.; Watkins, Davita L.; Tschumper, Gregory S.","Probing non-covalent interactions driving molecular assembly in organo-electronic building blocks","CrystEngComm","2019","21","20","3151","","10.1039/C9CE00219G","","x-ray","1.54178","CuKα","","0.0407","0.0381","","","0.1012","0.104","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232494","15.827","0.005","13.169","0.005","10.544","0.004","90","","106.918","0.006","90","","2102.5","1.3","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C28 H20 N4 -","- C28 H20 N4 -","- C112 H80 N16 -","4","1","","Wang, Hai-Yan; Kong, Lin; Zhu, Shu-Juan; Zhou, Hong-Ping; Yang, Jia-Xiang","Understanding the molecular orientation growth on a nanometer scale and adjustable electron transition performance of a terpyridyl derivative under different external environments","CrystEngComm","2019","21","17","2736","","10.1039/C8CE01940A","","","0.71073","MoKα","","0.0668","0.0446","","","0.1002","0.113","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232495","5.01554","0.00007","7.52021","0.00007","15.90107","0.00016","90","","90","","90","","599.755","0.012","150","1","150","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 O4 -","- C5 H10 O4 -","- C20 H40 O16 -","4","1","","Benhamou, Laure; Foster, Robert W.; Ward, David P.; Wheelhouse, Katherine; Sloan, Lisa; Tame, Christopher J.; Bučar, Dejan-Krešimir; Lye, Gary J.; Hailes, Helen C.; Sheppard, Tom D.","Functionalised tetrahydrofuran fragments from carbohydrates or sugar beet pulp biomass","Green Chemistry","2019","21","8","2035","","10.1039/C9GC00448C","","x-ray","1.54184","CuKα","","0.0271","0.0267","","","0.0658","0.0662","","","","","","0.911","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232496","22.3597","0.0005","5.5295","0.0002","9.5976","0.0002","90","","90.661","0.002","90","","1186.55","0.06","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H13 Br O4 -","- C12 H13 Br O4 -","- C48 H52 Br4 O16 -","4","1","","Benhamou, Laure; Foster, Robert W.; Ward, David P.; Wheelhouse, Katherine; Sloan, Lisa; Tame, Christopher J.; Bučar, Dejan-Krešimir; Lye, Gary J.; Hailes, Helen C.; Sheppard, Tom D.","Functionalised tetrahydrofuran fragments from carbohydrates or sugar beet pulp biomass","Green Chemistry","2019","21","8","2035","","10.1039/C9GC00448C","","x-ray","1.54184","CuKα","","0.0227","0.0224","","","0.0599","0.0604","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232497","7.4674","0.0016","15.866","0.003","24.954","0.006","97.734","0.009","93.796","0.012","93.228","0.008","2916.8","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","pimelic acid_isonicotinamide (1:2) cocrystal","","","- C57 H72 N12 O18 -","- C57 H72 N12 O18 -","- C114 H144 N24 O36 -","2","1","","Tothadi, Srinu; Phadkule, Amala","Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd–even alternation in melting points","CrystEngComm","2019","21","15","2481","","10.1039/C9CE00299E","","","0.71073","MoKα","","0.0418","0.0357","","","0.1098","0.1151","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232498","7.6025","0.0005","8.5644","0.0004","17.657","0.0009","91.672","0.004","95.094","0.005","103.671","0.005","1111.18","0.11","300","2","300","2","","","","","","","","4","P -1","-P 1","2","Azelaic acid_isonicotinamide 1:2 cocrystal","","","- C21 H28 N4 O6 -","- C21 H28 N4 O6 -","- C42 H56 N8 O12 -","2","1","","Tothadi, Srinu; Phadkule, Amala","Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd–even alternation in melting points","CrystEngComm","2019","21","15","2481","","10.1039/C9CE00299E","","","0.71073","MoKα","","0.1146","0.0689","","","0.1602","0.1881","","","","","","0.902","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232499","7.38","0.03","8.39","0.03","9.02","0.03","92.46","0.05","96.65","0.04","91.65","0.04","554","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Sebacic acid: isonicotinamide 1:2 cocrystal","","","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","1","0.5","","Tothadi, Srinu; Phadkule, Amala","Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd–even alternation in melting points","CrystEngComm","2019","21","15","2481","","10.1039/C9CE00299E","","","0.71073","MoKα","","0.1648","0.0936","","","0.1967","0.2502","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232500","7.69","0.012","8.987","0.015","16.77","0.03","96.724","0.006","96.41","0.02","115.163","0.015","1025","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Suberic acid_isonicotinamide (1:2) cocrystal","","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C40 H52 N8 O12 -","2","1","","Tothadi, Srinu; Phadkule, Amala","Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd–even alternation in melting points","CrystEngComm","2019","21","15","2481","","10.1039/C9CE00299E","","","0.71073","MoKα","","0.1018","0.068","","","0.1654","0.1971","","","","","","1.111","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232504","16.0893","0.0006","6.8295","0.0003","18.8185","0.0008","90","","90","","90","","2067.81","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H14 Cd Cl3 N -","- C5 H14 Cd Cl3 N -","- C40 H112 Cd8 Cl24 N8 -","8","1","","Sun, Dong-Sheng; Zhang, Yao-Zu; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Mei, Guang-Quan; Liao, Wei-Qiang","Reversible high temperature dielectric switching in a 2H-perovskite compound: [Me3NCH2CH3]CdCl3","CrystEngComm","2019","21","16","2669","","10.1039/C8CE02174K","","","0.71073","MoKα","","0.066","0.0555","","","0.1624","0.1704","","","","","","1.03","","","","has coordinates","223608","2020-10-21","18:00:00","" "7232505","9.5032","0.0003","9.5032","0.0003","6.8345","0.0004","90","","90","","120","","534.54","0.04","363","2","363","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C5 H14 Cd Cl3 N -","- C5 H13.92 Cd Cl3 N -","- C10 H27.84 Cd2 Cl6 N2 -","2","0.0833333","","Sun, Dong-Sheng; Zhang, Yao-Zu; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Mei, Guang-Quan; Liao, Wei-Qiang","Reversible high temperature dielectric switching in a 2H-perovskite compound: [Me3NCH2CH3]CdCl3","CrystEngComm","2019","21","16","2669","","10.1039/C8CE02174K","","","0.71073","MoKα","","0.0423","0.0383","","","0.1166","0.1219","","","","","","1.008","","","","has coordinates","223608","2020-10-21","18:00:00","" "7232506","18.2461","0.001","10.1265","0.0006","23.6108","0.0014","90","","91.8549","0.0018","90","","4360.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H68 N2 O5 -","- C48 H68 N2 O5 -","- C192 H272 N8 O20 -","4","2","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0734","0.055","","","0.1315","0.1457","","","","","","1.073","","","","has coordinates,has disorder","223588","2020-10-21","18:00:00","" "7232507","12.4123","0.0006","11.9482","0.0006","16.985","0.0008","90","","110.83","0.002","90","","2354.3","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C53 H78 N2 O5 -","- C53 H78 N2 O5 -","- C106 H156 N4 O10 -","2","1","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.037","0.0315","","","0.0687","0.0716","","","","","","1.087","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24","" "7232508","12.1746","0.0009","12.1005","0.0009","16.8114","0.0012","90","","103.777","0.004","90","","2405.4","0.3","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H80 N2 O5 -","- C54 H80 N2 O5 -","- C108 H160 N4 O10 -","2","1","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0557","0.0435","","","0.0839","0.0892","","","","","","1.107","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232509","18.4512","0.0005","10.2622","0.0003","25.1817","0.0007","90","","109.629","0.0014","90","","4491.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H72 N2 O5 -","- C50 H72 N2 O5 -","- C200 H288 N8 O20 -","4","2","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0663","0.0506","","","0.1208","0.1291","","","","","","1.029","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24","" "7232510","19.0707","0.0009","11.2605","0.0005","21.8074","0.001","90","","96.848","0.003","90","","4649.6","0.4","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H76 N2 O5 -","- C52 H76 N2 O5 -","- C208 H304 N8 O20 -","4","2","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0509","0.0441","","","0.0967","0.1006","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232511","6.1434","0.0006","18.1087","0.0017","39.29","0.004","90","","90","","90","","4371","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C49 H70 N2 O5 -","- C49 H70 N2 O5 -","- C196 H280 N8 O20 -","4","1","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.1018","0.0992","","","0.2103","0.2115","","","","","","1.12","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24","" "7232512","7.8033","0.0016","10.566","0.002","5.7294","0.0011","90","","90","","90","","472.39","0.16","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cd2 F2 O3 Se -","- Cd2 F2 O3 Se -","- Cd8 F8 O12 Se4 -","4","0.5","","You, Fengguang; Gong, Pifu; Liang, Fei; Jiang, Xingxing; Tu, Heng; Zhao, Ying; Hu, Zhanggui; Lin, Zheshuai","M2(SeO3)F2 (M = Zn, Cd): understanding the structure directing effect of [SeO3]2− groups on constructing ordered oxyfluorides","CrystEngComm","2019","21","15","2485","","10.1039/C9CE00279K","","","0.71073","MoKα","","0.0354","0.0343","","","0.0824","0.083","","","","","","1.246","","","","has coordinates","223679","2020-10-21","18:00:00","" "7232513","7.2758","0.0015","10.042","0.002","5.2562","0.0011","90","","90","","90","","384.04","0.14","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F2 O3 Se Zn2 -","- F2 O3 Se Zn2 -","- F8 O12 Se4 Zn8 -","4","0.5","","You, Fengguang; Gong, Pifu; Liang, Fei; Jiang, Xingxing; Tu, Heng; Zhao, Ying; Hu, Zhanggui; Lin, Zheshuai","M2(SeO3)F2 (M = Zn, Cd): understanding the structure directing effect of [SeO3]2− groups on constructing ordered oxyfluorides","CrystEngComm","2019","21","15","2485","","10.1039/C9CE00279K","","","0.71073","MoKα","","0.0244","0.0242","","","0.0621","0.0622","","","","","","1.255","","","","has coordinates","223679","2020-10-21","18:00:00","" "7232514","7.1261","0.0004","8.1012","0.0006","18.5115","0.0009","90","","90","","90","","1068.67","0.11","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Cl O2 -","- C12 H13 Cl O2 -","- C48 H52 Cl4 O8 -","4","1","","Kassin, Victor-Emmanuel H.; Gérardy, Romaric; Toupy, Thomas; Collin, Diégo; Salvadeo, Elena; Toussaint, François; Van Hecke, Kristof; Monbaliu, Jean-Christophe M.","Expedient preparation of active pharmaceutical ingredient ketamine under sustainable continuous flow conditions","Green Chemistry","2019","21","11","2952","","10.1039/C9GC00336C","","x-ray","1.54184","CuKα","","0.0452","0.034","","","0.0753","0.0882","","","","","","1.084","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232515","6.7087","0.0003","8.9522","0.0003","10.805","0.0004","76.216","0.003","82.767","0.003","72.956","0.003","601.45","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 Cl N O -","- C13 H16 Cl N O -","- C26 H32 Cl2 N2 O2 -","2","1","","Kassin, Victor-Emmanuel H.; Gérardy, Romaric; Toupy, Thomas; Collin, Diégo; Salvadeo, Elena; Toussaint, François; Van Hecke, Kristof; Monbaliu, Jean-Christophe M.","Expedient preparation of active pharmaceutical ingredient ketamine under sustainable continuous flow conditions","Green Chemistry","2019","21","11","2952","","10.1039/C9GC00336C","","x-ray","1.54184","CuKα","","0.0503","0.0448","","","0.1192","0.1236","","","","","","1.075","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232516","10.0679","0.0003","8.2104","0.0003","28.6875","0.0009","90","","98.842","0.003","90","","2343.17","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Cl N O -","- C13 H16 Cl N O -","- C104 H128 Cl8 N8 O8 -","8","2","","Kassin, Victor-Emmanuel H.; Gérardy, Romaric; Toupy, Thomas; Collin, Diégo; Salvadeo, Elena; Toussaint, François; Van Hecke, Kristof; Monbaliu, Jean-Christophe M.","Expedient preparation of active pharmaceutical ingredient ketamine under sustainable continuous flow conditions","Green Chemistry","2019","21","11","2952","","10.1039/C9GC00336C","","x-ray","1.54184","CuKα","","0.0485","0.0423","","","0.1183","0.1261","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232523","9.13","0.011","10.446","0.01","11.101","0.009","90","","106.63","0.04","90","","1014.4","1.8","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7 H32 B18 Co N -","- C7 H32 B18 Co N -","- C14 H64 B36 Co2 N2 -","2","0.25","","Bennour, Ines; Cioran, Ana M.; Teixidor, Francesc; Viñas, Clara","3,2,1 and stop! An innovative, straightforward and clean route for the flash synthesis of metallacarboranes","Green Chemistry","2019","21","8","1925","","10.1039/C8GC03943G","","","0.71073","MoKα","","0.0694","0.0676","","","0.1723","0.1741","","","","","","1.154","","","","has coordinates","224601","2020-10-21","18:00:00","" "7232524","13.6221","0.0018","5.507","0.001","16.919","0.002","90","","100.303","0.011","90","","1248.7","0.3","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C22 H14 Br2 F4 N6 O2 Zn -","- C22 H14 Br2 F4 N6 O2 Zn -","- C44 H28 Br4 F8 N12 O4 Zn2 -","2","0.5","","Khavasi, Hamid Reza; Rahimi, Narjes","Lone pair⋯π interaction versus σ-hole appearance in metal-bonded halogens","CrystEngComm","2019","21","18","2929","","10.1039/C8CE01795F","","","0.71073","MoKα","","0.071","0.0615","","","0.1342","0.1512","","","","","","1.01","","","","has coordinates","223686","2020-10-21","18:00:00","" "7232525","13.349","0.005","5.3648","0.0013","17.035","0.006","90","","101.02","0.03","90","","1197.5","0.7","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C22 H14 Cl2 F4 N6 O2 Zn -","- C22 H14 Cl2 F4 N6 O2 Zn -","- C44 H28 Cl4 F8 N12 O4 Zn2 -","2","0.5","","Khavasi, Hamid Reza; Rahimi, Narjes","Lone pair⋯π interaction versus σ-hole appearance in metal-bonded halogens","CrystEngComm","2019","21","18","2929","","10.1039/C8CE01795F","","","0.71073","MoKα","","0.0915","0.09","","","0.1417","0.1591","","","","","","1.012","","","","has coordinates","223686","2020-10-21","18:00:00","" "7232526","8.1277","0.0008","12.0713","0.0016","25.815","0.002","90","","95.384","0.007","90","","2521.6","0.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 F4 I2 N6 O2 Zn -","- C22 H14 F4 I2 N6 O2 Zn -","- C88 H56 F16 I8 N24 O8 Zn4 -","4","1","","Khavasi, Hamid Reza; Rahimi, Narjes","Lone pair⋯π interaction versus σ-hole appearance in metal-bonded halogens","CrystEngComm","2019","21","18","2929","","10.1039/C8CE01795F","","","0.71073","MoKα","","0.09","0.0787","","","0.1184","0.1429","","","","","","1.001","","","","has coordinates","223686","2020-10-21","18:00:00","" "7232530","9.8073","0.0007","10.2949","0.0007","15.0299","0.0008","89.515","0.005","89.492","0.005","66.462","0.007","1391.16","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Cu N5 O2 P S -","- C29 H23 Cu N5 O2 P S -","- C58 H46 Cu2 N10 O4 P2 S2 -","2","1","","Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh","Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding","CrystEngComm","2019","21","16","2675","","10.1039/C8CE02006J","","","0.71073","MoKα","","0.1211","0.0628","","","0.1495","0.1886","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232531","9.8681","0.0013","10.5055","0.0014","15.218","0.002","86.886","0.011","88.725","0.011","66.073","0.013","1439.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Cu N5 O P S2 -","- C29 H23 Cu N5 O P S2 -","- C58 H46 Cu2 N10 O2 P2 S4 -","2","1","","Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh","Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding","CrystEngComm","2019","21","16","2675","","10.1039/C8CE02006J","","","0.71073","MoKα","","0.1436","0.0669","","","0.1619","0.2435","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232532","9.796","0.0015","12.651","0.003","12.905","0.002","63.694","0.019","84.05","0.014","71.894","0.016","1361.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cu N4 O P S5 -","- C24 H18 Cu N4 O P S5 -","- C48 H36 Cu2 N8 O2 P2 S10 -","2","1","","Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh","Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding","CrystEngComm","2019","21","16","2675","","10.1039/C8CE02006J","","","0.71073","MoKα","","0.1478","0.0913","","","0.2331","0.3017","","","","","","1.013","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232533","9.8303","0.0007","12.5727","0.0012","12.6202","0.0012","65.192","0.009","85.784","0.007","71.776","0.008","1341.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cu N4 O2 P S4 -","- C24 H18 Cu N4 O2 P S4 -","- C48 H36 Cu2 N8 O4 P2 S8 -","2","1","","Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh","Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding","CrystEngComm","2019","21","16","2675","","10.1039/C8CE02006J","","","0.71073","MoKα","","0.1034","0.0583","","","0.1239","0.1492","","","","","","1","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24","" "7232534","14.141","0.003","15.307","0.003","19.905","0.004","67.42","0.03","77.79","0.03","83.87","0.03","3886.7","1.7","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","nicosulfuron","","- C15 H20 N6 O7 S -","- C15 H20 N6 O7 S -","- C120 H160 N48 O56 S8 -","8","4","","Liu, Yu; Jia, Lina; Wu, Songgu; Xu, Shijie; Zhang, Xu; Jiang, Shuang; Gong, Junbo","Polymorphism and molecular conformations of nicosulfuron: structure, properties and desolvation process","CrystEngComm","2019","21","17","2790","","10.1039/C8CE02074D","","","0.71073","MoKα","","0.1333","0.0873","","","0.2068","0.2401","","","","","","1.125","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232535","23.197","0.005","14.331","0.003","13.596","0.003","90","","112.54","0.03","90","","4174.5","1.8","113","2","113.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 N7 O6 S -","- C17 H21 N7 O6 S -","- C136 H168 N56 O48 S8 -","8","1","","Liu, Yu; Jia, Lina; Wu, Songgu; Xu, Shijie; Zhang, Xu; Jiang, Shuang; Gong, Junbo","Polymorphism and molecular conformations of nicosulfuron: structure, properties and desolvation process","CrystEngComm","2019","21","17","2790","","10.1039/C8CE02074D","","","0.71073","MoKα","","0.0785","0.0595","","","0.1226","0.1328","","","","","","1.142","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232536","7.8533","0.0016","20.401","0.004","25.859","0.005","85.55","0.03","83.76","0.03","85.07","0.03","4093.5","1.4","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N6 O7 S -","- C16 H22 N6 O7 S -","- C128 H176 N48 O56 S8 -","8","4","","Liu, Yu; Jia, Lina; Wu, Songgu; Xu, Shijie; Zhang, Xu; Jiang, Shuang; Gong, Junbo","Polymorphism and molecular conformations of nicosulfuron: structure, properties and desolvation process","CrystEngComm","2019","21","17","2790","","10.1039/C8CE02074D","","","0.71073","MoKα","","0.1316","0.0684","","","0.156","0.1946","","","","","","0.988","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232537","18.96","0.003","6.7993","0.0011","29.935","0.005","90","","91.638","0.014","90","","3857.5","1.1","298","2","298","2","","","","","","","","5","I 1 2 1","I 2y","5","PRX-OXA","Paroxetine oxalate","","- C40 H44 F2 N2 O11 -","- C40 H42 F2 N2 O11 -","- C160 H168 F8 N8 O44 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","x-ray","0.71073","MoKα","","0.1338","0.0774","","","0.2097","0.2645","","","","","","1.021","","","","has coordinates","223475","2020-10-21","18:00:00","" "7232538","7.2223","0.0003","7.995","0.001","18.538","0.002","78.672","0.01","82.396","0.005","85.86","0.007","1039.17","0.18","100","2","100","2","","","","","","","","5","P 1","P 1","1","PRX-FUM","Paroxetine fumarate","","- C23 H24 F N O7 -","- C23 H24 F N O7 -","- C46 H48 F2 N2 O14 -","2","2","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","","0.71073","MoKα","","0.0432","0.0394","","","0.1026","0.1061","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232539","14.3395","0.0017","7.9557","0.0009","19.608","0.002","90","","97.036","0.002","90","","2220.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","PRX-TART","Paroxetine tartrate","","- C23 H27 F N O9.5 -","- C23 H27 F N O9.5 -","- C92 H108 F4 N4 O38 -","4","2","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","","0.71073","MoKα","","0.052","0.0414","","","0.0961","0.1024","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232540","11.629","0.002","11.649","0.002","17.584","0.005","77.74","0.004","77.333","0.004","71.079","0.003","2172.6","0.8","100","2","100","2","","","","","","","","5","P 1","P 1","1","PRX-MAL","Paroxetine maleate","","- C23 H24 F N O7 -","- C23 H24 F N O7 -","- C92 H96 F4 N4 O28 -","4","4","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","","0.71073","MoKα","","0.0666","0.0654","","","0.1687","0.1708","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232541","12.469","0.004","6.265","0.002","17.738","0.006","90","","96.553","0.018","90","","1376.6","0.8","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Br N Se -","- C15 H12 Br N Se -","- C60 H48 Br4 N4 Se4 -","4","1","","Rathore, Vandana; Kumar, Sangit","Visible-light-induced metal and reagent-free oxidative coupling of sp2 C–H bonds with organo-dichalcogenides: synthesis of 3-organochalcogenyl indoles","Green Chemistry","2019","21","10","2670","","10.1039/C9GC00007K","","","0.71073","MoKα","","0.0825","0.0487","","","0.1036","0.1188","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232542","8.8883","0.0009","9.4264","0.0009","12.0358","0.0012","71.714","0.006","80.483","0.007","80.791","0.007","937.99","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Para-bromobenzoyl-N'(1,10-phenanthrolin-5-yl)-thiourea","","- C20 H13 Br N4 O S -","- C20 H13 Br N4 O S -","- C40 H26 Br2 N8 O2 S2 -","2","1","","Tan, Siew San; Yanagisawa, Susumu; Inagaki, Kouji; Kassim, Mohammad B.; Morikawa, Yoshitada","Experimental and computational studies on ruthenium(ii) bis-diimine complexes of N,N'-chelate ligands: the origin of changes in absorption spectra upon oxidation and reduction.","Physical chemistry chemical physics : PCCP","2019","21","15","7973","7988","10.1039/c8cp05016c","","","0.71073","MoKα","","0.076","0.038","","","0.0711","0.0822","","","","","","1.004","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232543","9.3936","0.0003","13.3227","0.0004","14.561","0.0004","70.316","0.002","88.607","0.002","80.167","0.002","1689.51","0.09","169.98","0.1","169.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 N6 O4 -","- C36 H32 N6 O4 -","- C72 H64 N12 O8 -","2","1","","Chen, Shaojin; Zhang, Wenxuan; Liu, Wei; Ge, Zhaohai; Wang, Kun-Peng; Gan, Li-Hua; Hu, Zhi-Qiang","Binaphthanol-based organic fluorophores with color tunability and their optical properties","CrystEngComm","2019","21","17","2809","","10.1039/C9CE00170K","","x-ray","1.54178","CuKα","","0.0488","0.0455","","","0.1253","0.1311","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232556","9.7009","0.0011","15.2187","0.0015","15.7698","0.0014","70.569","0.004","84.308","0.006","83.265","0.005","2175.9","0.4","200","2","200","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 Ce O3 -","- C45 H69 Ce O3 -","- C90 H138 Ce2 O6 -","2","1","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.0687","0.0399","","","0.0943","0.1071","","","","","","1.015","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24","" "7232557","9.7113","0.0003","15.0872","0.0004","15.6649","0.0005","70.506","0.002","83.665","0.002","82.16","0.002","2138.2","0.11","160","2","160","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 O3 Y -","- C45 H69 O3 Y -","- C90 H138 O6 Y2 -","2","1","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.0682","0.0377","","","0.0864","0.0965","","","","","","1.005","","","","has coordinates,has disorder","223688","2020-10-21","18:00:00","" "7232558","9.691","0.0006","25.0295","0.0017","45.485","0.003","76.182","0.004","86.604","0.003","80.933","0.003","10577","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 O3 Y -","- C45 H69 O3 Y -","- C450 H690 O30 Y10 -","10","5","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.1354","0.0631","","","0.1284","0.1513","","","","","","1.014","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232559","9.7054","0.0005","25.1144","0.0012","17.7491","0.0009","92.271","0.003","91.056","0.003","98.699","0.003","4271.8","0.4","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 O3 Y -","- C45 H69 O3 Y -","- C180 H276 O12 Y4 -","4","2","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.1123","0.051","","","0.1048","0.1221","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232560","9.648","0.0004","17.7941","0.0007","25.1982","0.001","92.202","0.002","97.768","0.002","91.001","0.002","4282","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 Ce O3 -","- C45 H69 Ce O3 -","- C180 H276 Ce4 O12 -","4","2","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.0461","0.0332","","","0.0749","0.08","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232561","9.6914","0.0004","25.0653","0.001","35.4181","0.0014","92.297","0.002","91.122","0.002","98.89","0.002","8490.6","0.6","120","2","120","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 O3 Y -","- C45 H69 O3 Y -","- C360 H552 O24 Y8 -","8","4","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.1058","0.0572","","","0.1175","0.132","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232565","7.6945","0.0001","6.9868","0.0001","15.1284","0.0003","90","","90","","90","","813.3","0.02","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 Ag N O4 -","- C3 Ag N O4 -","- C24 Ag8 N8 O32 -","8","1","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.0284","0.028","","","","0.0754","","","","","","1.111","","","","has coordinates","223687","2020-10-21","18:00:00","" "7232566","6.8003","0.0002","11.3128","0.0003","15.4766","0.0005","108.407","0.003","91.535","0.003","99.86","0.003","1108.85","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Ag2 N6 O16 -","- C16 H16 Ag2 N6 O16 -","- C32 H32 Ag4 N12 O32 -","2","1","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.037","0.0355","","","","0.0989","","","","","","1.065","","","","has coordinates","223687","2020-10-21","18:00:00","" "7232567","9.661","0.0004","6.841","0.0003","14.3353","0.0007","90","","97.453","0.004","90","","939.43","0.07","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H4 Cu N2 O10 -","- C6 H4 Cu N2 O10 -","- C24 H16 Cu4 N8 O40 -","4","0.5","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.0399","0.0383","","","","0.1056","","","","","","1.065","","","","has coordinates","223687","2020-10-21","18:00:00","" "7232568","14.482","0.0008","14.482","0.0008","21.7912","0.0009","90","","90","","120","","3957.9","0.3","293","2","","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C78 H48 Fe2 N18 Na2 O30 -","- C78 H48 Fe2 N18 Na2 O30 -","- C156 H96 Fe4 N36 Na4 O60 -","2","0.166667","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54184","CuKα","","0.0848","0.0717","","","","0.2312","","","","","","1.069","","","","has coordinates,has disorder","223687","2020-10-21","18:00:00","" "7232569","9.7318","0.0004","6.8338","0.0004","14.4055","0.0007","90","","98.472","0.004","90","","947.59","0.08","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H4 Co N2 O10 -","- C6 H4 Co N2 O10 -","- C24 H16 Co4 N8 O40 -","4","0.5","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.0434","0.0416","","","","0.1141","","","","","","1.233","","","","has coordinates","223687","2020-10-21","18:00:00","" "7232570","11.7176","0.0001","28.5764","0.0002","13.3497","0.0001","90","","100.097","0.001","90","","4400.87","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C88 H65.5 Fe2 N20 Na2 O28.94 -","- C88 H65.5 Fe2 N20 Na2 O28.94 -","- C176 H131 Fe4 N40 Na4 O57.88 -","2","1","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54184","CuKα","","0.0448","0.0438","","","","0.1234","","","","","","1.035","","","","has coordinates,has disorder","223687","2020-10-21","18:00:00","" "7232571","5.9656","0.0001","12.4421","0.0001","16.3174","0.0002","90","","90","","90","","1211.15","0.03","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Methyl 1-(4-bromobenzyl)-1H-1,2,3-triazole-4-carboxylate)","","- C11 H10 Br N3 O2 -","- C11 H10 Br N3 O2 -","- C44 H40 Br4 N12 O8 -","4","1","","Yadav, Dolly; Singh, Nem; Kim, Tae Wu; Kim, Jae Young; Park, No-Joong; Baeg, Jin-Ook","Highly regioselective and sustainable solar click reaction: a new post-synthetic modified triazole organic polymer as a recyclable photocatalyst for regioselective azide–alkyne cycloaddition reaction","Green Chemistry","2019","21","10","2677","","10.1039/C9GC00894B","","","0.71073","MoKα","","0.0599","0.046","","","0.1173","0.1298","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232572","18.9658","0.0004","8.93532","0.00014","8.98702","0.00018","90","","99.6349","0.0017","90","","1501.51","0.05","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Ca Cl2 N4 O6 -","- C26 H32 Ca Cl2 N4 O6 -","- C52 H64 Ca2 Cl4 N8 O12 -","2","0.5","","Shemchuk, O.; André, V.; Duarte, M. T.; Braga, D.; Grepioni, F.","Mechanochemical preparation of molecular and ionic co-crystals of the hormone melatonin","CrystEngComm","2019","21","18","2949","","10.1039/C9CE00316A","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0178","2.22789","","","","","","","has coordinates","223684","2020-10-21","18:00:00","" "7232573","17.05","0.0007","9.8304","0.0004","9.3339","0.0003","90","","105.097","0.002","90","","1510.44","0.1","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 N6 O4 -","- C30 H42 N6 O4 -","- C60 H84 N12 O8 -","2","0.5","","Shemchuk, O.; André, V.; Duarte, M. T.; Braga, D.; Grepioni, F.","Mechanochemical preparation of molecular and ionic co-crystals of the hormone melatonin","CrystEngComm","2019","21","18","2949","","10.1039/C9CE00316A","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0115","3.84067","","","","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232574","18.9658","0.0004","8.93532","0.00014","8.98702","0.00018","90","","99.6349","0.0017","90","","1501.51","0.05","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Ca Cl2 N4 O6 -","- C26 H32 Ca Cl2 N4 O6 -","- C52 H64 Ca2 Cl4 N8 O12 -","2","0.5","","Shemchuk, O.; André, V.; Duarte, M. T.; Braga, D.; Grepioni, F.","Mechanochemical preparation of molecular and ionic co-crystals of the hormone melatonin","CrystEngComm","2019","21","18","2949","","10.1039/C9CE00316A","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0178","2.22789","","","","","","","has coordinates","223684","2020-10-21","18:00:00","" "7232575","8.4118","0.0003","9.9682","0.0003","15.4809","0.0006","90","","90","","90","","1298.08","0.08","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,3-Cyclohexanediol, trans-","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","","Maria, Teresa M. R.; Rosado, Mário T. S.; Oliveira, Melodia F.; Bebiano, Suse S.; Castro, Ricardo A. E.; Juszyńska-Gałązka, Ewa; Ramos Silva, Manuela; Canotilho, João; Eusébio, M. Ermelinda S.","Polymorphism of 1,3-cyclohexanediols: molecular structure and plastic crystal formation of cyclohexanediol isomers","CrystEngComm","2019","21","22","3395","","10.1039/C9CE00186G","","","0.71073","MoKα","","0.0854","0.0439","","","0.1","0.119","","","","","","1.031","","","","has coordinates","223491","2020-10-21","18:00:00","" "7232576","4.2934","0.0003","6.2651","0.0004","13.2828","0.0008","101.118","0.005","96.9","0.005","98.117","0.005","343.05","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H5 F4 I2 N O -","- C12 H5 F4 I2 N O -","- C12 H5 F4 I2 N O -","1","0.5","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0369","0.0361","","","0.1034","0.1042","","","","","","1.137","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24","" "7232577","9.8371","0.0008","12.5539","0.001","21.3222","0.0015","90","","96.397","0.007","90","","2616.8","0.4","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 F4 I2 O4 -","- C28 H16 F4 I2 O4 -","- C112 H64 F16 I8 O16 -","4","1","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0865","0.0603","","","0.122","0.1334","","","","","","1.124","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232578","8.2542","0.0003","15.364","0.0005","10.5028","0.0005","90","","106.955","0.004","90","","1274.05","0.09","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F4 I2 O6 -","- C24 H20 F4 I2 O6 -","- C48 H40 F8 I4 O12 -","2","0.5","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0315","0.0238","","","0.0602","0.0644","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232579","7.6135","0.0005","28.68","0.002","7.4414","0.0007","90","","98.956","0.007","90","","1605.1","0.2","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F4 I2 O3 -","- C14 H8 F4 I2 O3 -","- C56 H32 F16 I8 O12 -","4","1","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0811","0.0558","","","0.1105","0.1215","","","","","","1.196","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232580","8.1668","0.0005","8.4423","0.0006","10.8612","0.0005","100.288","0.005","105.696","0.005","110.297","0.006","644.64","0.08","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 F4 I2 N2 O2 -","- C24 H22 F4 I2 N2 O2 -","- C24 H22 F4 I2 N2 O2 -","1","0.5","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0402","0.0308","","","0.0723","0.0773","","","","","","1.143","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232581","8.4118","0.0003","9.9682","0.0003","15.4809","0.0006","90","","90","","90","","1298.08","0.08","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,3-Cyclohexanediol, trans-","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","","Vicent-Morales, María; Vitórica-Yrezábal, Iñigo J.; Souto, Manuel; Mínguez Espallargas, Guillermo","Influence of interpenetration on the flexibility of MUV-2","CrystEngComm","2019","21","19","3031","","10.1039/C9CE00233B","","","0.71073","MoKα","","0.0854","0.0439","","","0.1","0.119","","","","","","1.031","","","","has coordinates","223605","2020-10-21","18:00:00","" "7232586","12.029","0.003","14.609","0.003","11.379","0.002","90","","105.267","0.008","90","","1929.1","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H8 F6 N4 O4 Pb -","- C19 H8 F6 N4 O4 Pb -","- C76 H32 F24 N16 O16 Pb4 -","4","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0631","0.0585","","","0.2327","0.2365","","","","","","1.112","","","","has coordinates","223606","2020-10-21","18:00:00","" "7232587","8.6232","0.001","14.3867","0.0016","20.811","0.002","82.007","0.004","78.332","0.004","89.992","0.004","2502.8","0.5","258","2","258","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 Er2 F12 N8 O19 -","- C40 H16 Er2 F12 N8 O19 -","- C80 H32 Er4 F24 N16 O38 -","2","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0894","0.0698","","","0.1815","0.1943","","","","","","1.12","","","","has coordinates","223606","2020-10-21","18:00:00","" "7232588","36.599","0.0016","7.4499","0.0003","14.2144","0.0006","90","","101.811","0.003","90","","3793.6","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 F6 Mg N4 O5 -","- C19 H8 F6 Mg N4 O5 -","- C152 H64 F48 Mg8 N32 O40 -","8","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0849","0.0489","","","0.1042","0.1219","","","","","","1.026","","","","has coordinates","223606","2020-10-21","18:00:00","" "7232589","36.5822","0.0012","7.4122","0.0002","14.3145","0.0005","90","","101.916","0.002","90","","3797.8","0.2","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 F6 Fe N4 O5 -","- C19 H8 F6 Fe N4 O5 -","- C152 H64 F48 Fe8 N32 O40 -","8","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0738","0.0439","","","0.0938","0.1082","","","","","","1.045","","","","has coordinates","223606","2020-10-21","18:00:00","" "7232590","36.1261","0.001","7.4323","0.0002","14.6837","0.0004","90","","101.086","0.002","90","","3869","0.18","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 Cd F6 N4 O5 -","- C19 H8 Cd F6 N4 O5 -","- C152 H64 Cd8 F48 N32 O40 -","8","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0471","0.0328","","","0.067","0.0735","","","","","","1.056","","","","has coordinates","223606","2020-10-21","18:00:00","" "7232591","36.737","0.007","7.4036","0.0015","14.345","0.003","90","","102.32","0.03","90","","3811.8","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 F6 N4 O5 Zn -","- C19 H6 F6 N4 O5 Zn -","- C152 H48 F48 N32 O40 Zn8 -","8","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0888","0.0803","","","0.2313","0.2349","","","","","","1.107","","","","has coordinates","223606","2020-10-21","18:00:00","" "7232597","10.373","0.0005","13.4532","0.0006","13.9106","0.0006","83.333","0.002","84.907","0.002","70.842","0.002","1818.66","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine:anisole","","","- C47 H40 N2 O S2 -","- C47 H40 N2 O S2 -","- C94 H80 N4 O2 S4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0451","0.0352","","","0.0881","0.095","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232598","8.9125","0.0005","9.0807","0.0005","13.0222","0.0006","90.729","0.002","109.691","0.002","111.869","0.002","909.28","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine:4-methylanisole","","","- C48 H42 N2 O3 -","- C48 H42 N2 O3 -","- C48 H42 N2 O3 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0552","0.0416","","","0.1027","0.1107","","","","","","1.043","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24","" "7232599","8.9207","0.0004","9.1082","0.0004","12.6652","0.0006","91.979","0.002","107.947","0.002","111.131","0.002","900.79","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine:anisole:water","","","- C47 H40 N2 O3.22 -","- C47 H40 N2 O3.22 -","- C47 H40 N2 O3.22 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0488","0.0414","","","0.1075","0.1141","","","","","","1.036","","","","has coordinates,has disorder","223607","2020-10-21","18:00:00","" "7232600","10.5144","0.0006","13.7009","0.0007","13.7121","0.0007","84.337","0.002","70.982","0.002","87.993","0.002","1858.38","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine:4-methylanisole","","","- C48 H42 N2 O S2 -","- C48 H42 N2 O S2 -","- C96 H84 N4 O2 S4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0541","0.0441","","","0.1171","0.1271","","","","","","1.024","","","","has coordinates,has disorder","223607","2020-10-21","18:00:00","" "7232601","9.0063","0.0004","9.1151","0.0004","12.6154","0.0005","92.511","0.002","106.59","0.002","112.306","0.002","904.63","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine:p-xylene","","","- C48 H42 N2 O2 -","- C48 H42 N2 O2 -","- C48 H42 N2 O2 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0577","0.0425","","","0.1025","0.1115","","","","","","1.032","","","","has coordinates","223607","2020-10-21","18:00:00","" "7232602","10.5363","0.0006","13.6858","0.0007","13.71","0.0007","95.756","0.002","108.128","0.002","90.207","0.002","1868.08","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine:3-methylanisole","","","- C48 H42 N2 O S2 -","- C48 H42 N2 O S2 -","- C96 H84 N4 O2 S4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0443","0.0354","","","0.0897","0.0959","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232603","9.2867","0.0007","10.2931","0.0008","10.7281","0.0008","90.623","0.001","99.019","0.001","102.689","0.001","986.98","0.13","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- Mo8 O45 Tm2 -","- Mo8 O45 Tm2 -","- Mo8 O45 Tm2 -","1","0.5","","Zhao, Yanxin; Chen, Shumin; Ji, Yanfang; Singh, Vikram; Ma, Pengtao; Lu, Jingkun; Niu, Jingyang; Wang, Jingping","Ln(iii)-Containing polyoxomolybdates based on β-{Mo8O28}: microwave synthesis and optical and magnetic properties","CrystEngComm","2019","21","23","3627","","10.1039/C9CE00229D","","","0.71073","MoKα","","0.0269","0.0256","","","0.0669","0.0677","","","","","","1.054","","","","has coordinates","223689","2020-10-21","18:00:00","" "7232604","9.2905","0.0012","10.3007","0.0013","10.7373","0.0014","90.642","0.002","98.969","0.002","102.623","0.002","989.4","0.2","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- Er2 Mo8 O45 -","- Er2 Mo8 O45 -","- Er2 Mo8 O45 -","1","0.5","","Zhao, Yanxin; Chen, Shumin; Ji, Yanfang; Singh, Vikram; Ma, Pengtao; Lu, Jingkun; Niu, Jingyang; Wang, Jingping","Ln(iii)-Containing polyoxomolybdates based on β-{Mo8O28}: microwave synthesis and optical and magnetic properties","CrystEngComm","2019","21","23","3627","","10.1039/C9CE00229D","","","0.71073","MoKα","","0.0532","0.0398","","","0.1067","0.1189","","","","","","0.869","","","","has coordinates","223689","2020-10-21","18:00:00","" "7232605","3.7455","0.0003","10.533","0.0006","21.5313","0.0012","90","","94.556","0.006","90","","846.75","0.1","250","","250","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C14 H18 B2 N2 O10 -","- C14 H18 B2 N2 O10 -","- C28 H36 B4 N4 O20 -","2","0.25","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.0415","0.0375","","","0.1024","0.1059","","","","","","1.079","","","","has coordinates","223623","2020-10-21","18:00:00","" "7232606","12.3874","0.0006","10.7643","0.0004","8.761","0.0004","90","","98.765","0.005","90","","1154.56","0.09","298.15","","298.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H22 B2 N4 O8 -","- C24 H22 B2 N4 O8 -","- C48 H44 B4 N8 O16 -","2","0.25","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.0601","0.0463","","","0.1125","0.1199","","","","","","1.066","","","","has coordinates,has disorder","223623","2020-10-21","18:00:00","" "7232607","3.9208","0.0004","10.445","0.0009","29.717","0.003","90","","90.34","0.009","90","","1217","0.2","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 B2 N2 O10 -","- C26 H26 B2 N2 O10 -","- C52 H52 B4 N4 O20 -","2","0.5","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.0895","0.0574","","","0.1387","0.1677","","","","","","1.014","","","","has coordinates","223623","2020-10-21","18:00:00","" "7232608","10.5211","0.0005","21.0309","0.0009","7.6551","0.0004","90","","99.368","0.005","90","","1671.24","0.14","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B2 N2 O9 -","- C14 H16 B2 N2 O9 -","- C56 H64 B8 N8 O36 -","4","1","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.096","0.0514","","","0.1082","0.1298","","","","","","1.014","","","","has coordinates","223623","2020-10-21","18:00:00","" "7232609","17.7131","0.0009","7.5346","0.0004","16.195","0.0008","90","","90","","90","","2161.4","0.19","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C20 H16 Br2 Co N4 S2 -","- C20 H16 Br2 Co N4 S2 -","- C80 H64 Br8 Co4 N16 S8 -","4","0.5","","Shi, Le; Shen, Fu-Xing; Shao, Dong; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three two-dimensional cobalt(ii) single-ion magnets with a CoIIN4X2 octahedral geometry","CrystEngComm","2019","21","20","3176","","10.1039/C9CE00030E","","","0.71073","MoKα","","0.0301","0.0257","","","0.0643","0.0669","","","","","","1.07","","","","has coordinates","223621","2020-10-21","18:00:00","" "7232610","12.8028","0.0005","18.2985","0.0007","25.461","0.001","90","","90","","90","","5964.8","0.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Co I2 N4 O6 S2 -","- C20 H28 Co I2 N4 O6 S2 -","- C160 H224 Co8 I16 N32 O48 S16 -","8","1","","Shi, Le; Shen, Fu-Xing; Shao, Dong; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three two-dimensional cobalt(ii) single-ion magnets with a CoIIN4X2 octahedral geometry","CrystEngComm","2019","21","20","3176","","10.1039/C9CE00030E","","","0.71073","MoKα","","0.0457","0.0295","","","0.0581","0.0637","","","","","","1.043","","","","has coordinates","223621","2020-10-21","18:00:00","" "7232618","20.6948","0.0009","19.1425","0.0007","7.5103","0.0002","90","","92.828","0.002","90","","2971.58","0.19","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","triiodidobis(acetonitrile)hexacopper(I)","","- C22 H21 Cu6 I3 N2 S3 -","- C22 H21 Cu6 I3 N2 S3 -","- C88 H84 Cu24 I12 N8 S12 -","4","1","","Troyano, Javier; Castillo, Óscar; Amo-Ochoa, Pilar; Martínez, J. Ignacio; Zamora, Félix; Delgado, Salomé","Reversible transformation between Cu(i)-thiophenolate coordination polymers displaying luminescence and electrical properties","CrystEngComm","2019","21","20","3232","","10.1039/C9CE00313D","","x-ray","0.71073","MoKα","","0.0956","0.0446","","","0.0864","0.1041","","","","","","1.014","","","","has coordinates","223619","2020-10-21","18:00:00","" "7232619","18.636","0.003","14.5547","0.0019","27.872","0.004","90","","92.464","0.002","90","","7553.1","1.9","293","","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H68 Au Br1.74 Cl0.26 O4 P3 S4 -","- C84 H68 Au Br1.7404 Cl0.2596 O4 P3 S4 -","- C336 H272 Au4 Br6.9616 Cl1.0384 O16 P12 S16 -","4","1","","Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect","CrystEngComm","2019","21","18","2940","","10.1039/C9CE00364A","","","0.71073","MoKα","","0.0978","0.0553","","","0.1224","0.1467","","","","","","1.067","","","","has coordinates","223685","2020-10-21","18:00:00","" "7232620","24.0138","0.0004","7.3818","0.0004","25.0096","0.0007","90","","110.872","0.0007","90","","4142.4","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 Au O6 P S4 -","- C44 H44 Au O6 P S4 -","- C176 H176 Au4 O24 P4 S16 -","4","0.5","","Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect","CrystEngComm","2019","21","18","2940","","10.1039/C9CE00364A","","","0.68889","synchrotron","","0.0542","0.0289","","","0.0668","0.0895","","","","","","0.95","","","","has coordinates,has disorder","223685","2020-10-21","18:00:00","" "7232621","7.4715","0.0017","16.423","0.004","27.825","0.007","90","","90.076","0.003","90","","3414.2","1.4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Au O4.5 P S4 -","- C36 H28 Au O4.5 P S4 -","- C144 H112 Au4 O18 P4 S16 -","4","1","","Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect","CrystEngComm","2019","21","18","2940","","10.1039/C9CE00364A","","","0.71073","MoKα","","0.0595","0.0462","","","0.1094","0.1177","","","","","","1.117","","","","has coordinates,has disorder","223685","2020-10-21","18:00:00","" "7232622","10.783","0.003","14.172","0.004","16.481","0.005","65.051","0.008","80.38","0.013","79.305","0.014","2232.7","1.1","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 Au O5 P S4 -","- C40 H38 Au O5 P S4 -","- C80 H76 Au2 O10 P2 S8 -","2","1","","Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect","CrystEngComm","2019","21","18","2940","","10.1039/C9CE00364A","","","0.71073","MoKα","","0.0614","0.0431","","","0.1028","0.1154","","","","","","0.994","","","","has coordinates,has disorder","223685","2020-10-21","18:00:00","" "7232623","5.235","0.0004","10.451","0.0009","13.2627","0.0011","80.451","0.003","85.302","0.003","83.095","0.003","708.95","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H15 N5 O5 S2 -","- C9 H15 N5 O5 S2 -","- C18 H30 N10 O10 S4 -","2","1","","Song, Yu; Wang, Ling-Yang; Liu, Fang; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Simultaneously enhancing the in vitro/in vivo performances of acetazolamide using proline as a zwitterionic coformer for cocrystallization","CrystEngComm","2019","21","19","3064","","10.1039/C9CE00270G","","","0.71073","MoKα","","0.0664","0.0505","","","0.1285","0.1389","","","","","","1.059","","","","has coordinates","223602","2020-10-21","18:00:00","" "7232624","21.074","0.004","12.547","0.003","14.06","0.003","90","","105.68","0.03","90","","3579.3","1.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cl2 N2 O8 -","- C40 H38 Cl2 N2 O8 -","- C160 H152 Cl8 N8 O32 -","4","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.0777","0.0736","","","0.1923","0.194","","","","","","1.181","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232625","14.101","0.003","16.998","0.003","21.305","0.004","72.5","0.03","88.77","0.03","85.34","0.03","4854.1","1.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C89 H93 Co4 N7 O23 -","- C89 H93 Co4 N7 O23 -","- C178 H186 Co8 N14 O46 -","2","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1208","0.0873","","","0.2379","0.2613","","","","","","1.032","","","","has coordinates","223604","2020-10-21","18:00:00","" "7232626","16.204","0.004","13.645","0.005","22.195","0.004","90","","93.12","0.03","90","","4900","2","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cu N O5 -","- C20 H18 Cu N O5 -","- C160 H144 Cu8 N8 O40 -","8","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1669","0.1361","","","0.3374","0.3617","","","","","","1.131","","","","has coordinates","223604","2020-10-21","18:00:00","" "7232627","25.007","0.005","34.875","0.007","16.063","0.003","90","","107.55","0.03","90","","13357","5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 Cu2 N4 O11 -","- C46 H48 Cu2 N4 O11 -","- C368 H384 Cu16 N32 O88 -","8","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1204","0.0812","","","0.2369","0.2629","","","","","","1.041","","","","has coordinates","223604","2020-10-21","18:00:00","" "7232628","19.276","0.004","13.237","0.003","19.747","0.004","90","","95.04","0.03","90","","5019.1","1.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cd2 N2 O10 -","- C40 H36 Cd2 N2 O10 -","- C160 H144 Cd8 N8 O40 -","4","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1559","0.109","","","0.3039","0.3355","","","","","","1.051","","","","has coordinates","223604","2020-10-21","18:00:00","" "7232629","8.865","0.0018","10.969","0.002","12.44","0.003","74.58","0.03","88.22","0.03","87.34","0.03","1164.6","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Mn N2 O5 -","- C24 H25 Mn N2 O5 -","- C48 H50 Mn2 N4 O10 -","2","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.0621","0.0564","","","0.1463","0.1515","","","","","","1.049","","","","has coordinates","223604","2020-10-21","18:00:00","" "7232630","10.954","0.002","13.627","0.003","14.312","0.003","101.03","0.03","106.14","0.03","94.29","0.03","1995.6","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H40 Cu2 N3 O9.5 -","- C43 H40 Cu2 N3 O9.5 -","- C86 H80 Cu4 N6 O19 -","2","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1077","0.0657","","","0.1659","0.1961","","","","","","1.024","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24","" "7232648","9.9687","0.0008","14.9432","0.0011","24.3238","0.0017","92.312","0.002","97.145","0.002","107.847","0.002","3410.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 Cl2 N2 O5 -","- C40 H26 Cl2 N2 O5 -","- C160 H104 Cl8 N8 O20 -","4","2","","Shafiee, Behnaz; Duffield, Joseph; Timm, Rudy; Liyanage, Rohana; Lay, Jackson O.; Khosropour, Ahmad R.; Amiri Rudbari, Hadi; Beyzavi, M. Hassan","Metal-free and benign approach for the synthesis of dihydro-5′H-spiro[benzo[c]chromene-8,4′-oxazole]-5′,6(7H)-dione scaffolds as masked amino acids","Green Chemistry","2019","21","10","2656","","10.1039/C9GC00428A","","","0.71073","MoKα","","0.1961","0.0641","","","0.1412","0.2183","","","","","","0.999","","","","has coordinates","301866","2025-08-22","21:38:24","" "7232653","10.393","0.005","18.063","0.009","12.568","0.006","90","","99.096","0.01","90","","2330","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N O4 P S -","- C26 H24 N O4 P S -","- C104 H96 N4 O16 P4 S4 -","4","1","","Liu, Teng; Li, Yongqin; Cheng, Feixiang; Shen, Xianfu; Liu, Jianjun; Lin, Jun","Highly chemo- and regioselective C–P cross-coupling reaction of quinone imine ketals with Ar2P(O)H to construct ortho-amino triarylphosphine derivatives","Green Chemistry","2019","21","13","3536","","10.1039/C9GC00989B","","","0.71073","MoKα","","0.222","0.1215","","","0.3121","0.3678","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232654","10.82","0.0009","17.6091","0.0015","14.0022","0.0013","90","","105.494","0.002","90","","2570.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 N O5 P S -","- C27 H26 N O5 P S -","- C108 H104 N4 O20 P4 S4 -","4","1","","Liu, Teng; Li, Yongqin; Cheng, Feixiang; Shen, Xianfu; Liu, Jianjun; Lin, Jun","Highly chemo- and regioselective C–P cross-coupling reaction of quinone imine ketals with Ar2P(O)H to construct ortho-amino triarylphosphine derivatives","Green Chemistry","2019","21","13","3536","","10.1039/C9GC00989B","","","0.71073","MoKα","","0.0982","0.0557","","","0.1316","0.1547","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232655","10.2009","0.0008","11.2819","0.0008","14.59","0.0012","100.549","0.003","98.728","0.005","95.222","0.005","1619.4","0.2","270","","270","","","","","","","","","4","P -1","-P 1","2","","","","- C92 H72 N4 O8 -","- C92 H72 N4 O8 -","- C92 H72 N4 O8 -","1","0.5","","Sato, Ryonosuke; Yoo, Dongho; Mori, Takehiko","1 : 2 charge-transfer complexes of perylene and coronene with perylene diimide, and the ambipolar transistors","CrystEngComm","2019","21","20","3218","","10.1039/C9CE00456D","","","1.54187","CuKα","","0.1499","0.0915","","","0.2213","0.278","","","","","","0.864","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232656","10.51253","0.00019","11.3405","0.0002","14.6657","0.0003","98.3194","0.0009","100.576","0.0009","98.4908","0.0009","1673.12","0.06","270","","270","","","","","","","","","4","P -1","-P 1","2","","","","- C96 H72 N4 O8 -","- C96 H72 N4 O8 -","- C96 H72 N4 O8 -","1","0.5","","Sato, Ryonosuke; Yoo, Dongho; Mori, Takehiko","1 : 2 charge-transfer complexes of perylene and coronene with perylene diimide, and the ambipolar transistors","CrystEngComm","2019","21","20","3218","","10.1039/C9CE00456D","","","1.54187","CuKα","","0.1282","0.0659","","","0.1124","0.1406","","","","","","0.827","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232657","20.076","0.005","19.744","0.004","14.25","0.003","90","","133.285","0.006","90","","4111.8","1.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C29 H37 N9 O11 Zn2 -","- C18 H8 N5 O8 Zn2 -","- C72 H32 N20 O32 Zn8 -","4","0.5","","Zou, Lifei; Yuan, Jiaqi; Yuan, Yang; Gu, Jiaming; Li, Guanghua; Zhang, Lirong; Liu, Yunling","A Zn(ii) metal‒organic framework constructed by a mixed-ligand strategy for CO2 capture and gas separation","CrystEngComm","2019","21","21","3289","","10.1039/C9CE00343F","","","0.71073","MoKα","","0.0454","0.0306","","","0.0846","0.0917","","","","","","1.041","","","","has coordinates,has disorder","223694","2020-10-21","18:00:00","" "7232658","13.779","0.0003","6.8067","0.0001","42.0629","0.0008","90","","97.22","0.001","90","","3913.78","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 N3 O5 -","- C21 H21 N3 O5 -","- C168 H168 N24 O40 -","8","1","","Sugiyama, Haruki; Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Reversible on/off switching of photochromic properties in N-salicylideneaniline co-crystals by heating and humidification","CrystEngComm","2019","21","20","3170","","10.1039/C9CE00442D","","","1.54186","CuKα","","0.0511","0.0412","","","0.1206","0.1245","","","","","","1.147","","","","has coordinates","223624","2020-10-21","18:00:00","" "7232659","7.911","0.0001","11.6159","0.0002","40.0826","0.0007","90","","90","","90","","3683.33","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C168 H152 N24 O32 -","8","1","","Sugiyama, Haruki; Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Reversible on/off switching of photochromic properties in N-salicylideneaniline co-crystals by heating and humidification","CrystEngComm","2019","21","20","3170","","10.1039/C9CE00442D","","","1.54186","CuKα","","0.0668","0.0471","","","0.1261","0.1527","","","","","","1.133","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232661","8.403","0.0014","10.9764","0.0018","20.319","0.003","99.433","0.002","94.128","0.002","109.784","0.002","1723.2","0.5","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H59 N7 O2 -","- C34 H59 N7 O2 -","- C68 H118 N14 O4 -","2","1","","Kimijima, Ayaka; Honda, Akinori; Nomoto, Kuniharu; Miyamura, Kazuo","Cold crystallization in the mixed system of adenine and thymine dodecyl derivatives","CrystEngComm","2019","21","20","3142","","10.1039/C9CE00407F","","","0.71073","MoKα","","0.1122","0.0652","","","0.1631","0.1955","","","","","","0.993","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232662","9.8795","0.0011","22.045","0.002","11.3775","0.0012","90","","114.823","0.002","90","","2249","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N6 O5 Zn -","- C23 H18 N6 O5 Zn -","- C92 H72 N24 O20 Zn4 -","4","1","","Song, Jian-Biao; Liu, Gui-lei; Hao, Liang; Zhang, Fang; Li, Hui","Crystal structures and luminescence properties of a D–A type CIEgen and its Zn(ii) complexes","CrystEngComm","2019","21","21","3322","","10.1039/C9CE00534J","","","0.71073","MoKα","","0.0359","0.0302","","","0.0895","0.0926","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232663","19.4386","0.0013","11.5018","0.0008","13.4225","0.0009","90","","131.941","0.002","90","","2232.2","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N4 O6 -","- C22 H24 N4 O6 -","- C88 H96 N16 O24 -","4","0.5","","Song, Jian-Biao; Liu, Gui-lei; Hao, Liang; Zhang, Fang; Li, Hui","Crystal structures and luminescence properties of a D–A type CIEgen and its Zn(ii) complexes","CrystEngComm","2019","21","21","3322","","10.1039/C9CE00534J","","","0.71073","MoKα","","0.095","0.067","","","0.1839","0.2137","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232664","12.02","0.002","16.434","0.003","14.413","0.003","90","","98.58","0.03","90","","2815.2","0.9","152","2","152","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H24 N6 O5.5 Zn -","- C29.5 H24 N6 O5.5 Zn -","- C118 H96 N24 O22 Zn4 -","4","1","","Song, Jian-Biao; Liu, Gui-lei; Hao, Liang; Zhang, Fang; Li, Hui","Crystal structures and luminescence properties of a D–A type CIEgen and its Zn(ii) complexes","CrystEngComm","2019","21","21","3322","","10.1039/C9CE00534J","","","0.71073","MoKα","","0.0569","0.043","","","0.1073","0.1155","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232665","9.1075","0.0008","11.8822","0.0011","15.5502","0.0014","80.532","0.003","74.179","0.003","74.763","0.003","1554.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 Eu2 N2 O18 -","- C26 Eu2 N2 O18 -","- C52 Eu4 N4 O36 -","2","1","","Song, Liping; Liu, Wei; Wang, Yanlong; Chen, Lanhua; Wang, Xiao-Feng; Wang, Shuao","A hydrolytically stable europium‒organic framework for the selective detection of radioactive Th4+ in aqueous solution","CrystEngComm","2019","21","22","3471","","10.1039/C9CE00241C","","","0.71073","MoKα","","0.0353","0.0305","","","0.0882","0.1001","","","","","","1.196","","","","has coordinates","223492","2020-10-21","18:00:00","" "7232666","18.5984","0.0009","18.5984","0.0009","38.5338","0.0018","90","","90","","120","","11543.1","1","100","2","100","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C24 H18 Cu2 O10 -","- C24 H18 Cu2 O10 -","- C216 H162 Cu18 O90 -","9","0.25","","He, Minghui; Xu, Tingting; Jiang, Zhenzhen; Yu, Xinjian; Zou, Ying; Yang, Luyao; Wang, Xiaojuan; Wang, Xia; He, Yabing","Two copper-based MOFs constructed from a linear diisophthalate linker: supramolecular isomerism and gas adsorption properties","CrystEngComm","2019","21","20","3192","","10.1039/C9CE00359B","","","0.71073","MoKα","","0.0634","0.0511","","","0.1733","0.1868","","","","","","1.034","","","","has coordinates,has disorder","223620","2020-10-21","18:00:00","" "7232667","18.826","0.0008","18.826","0.0008","27.3427","0.0012","90","","90","","90","","9690.8","0.7","100","2","100","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- C24 H18 Cu2 O10 -","- C24 H14 Cu2 O10 -","- C192 H112 Cu16 O80 -","8","0.5","","He, Minghui; Xu, Tingting; Jiang, Zhenzhen; Yu, Xinjian; Zou, Ying; Yang, Luyao; Wang, Xiaojuan; Wang, Xia; He, Yabing","Two copper-based MOFs constructed from a linear diisophthalate linker: supramolecular isomerism and gas adsorption properties","CrystEngComm","2019","21","20","3192","","10.1039/C9CE00359B","","","0.71073","MoKα","","0.0843","0.0726","","","0.308","0.3394","","","","","","1.075","","","","has coordinates","223620","2020-10-21","18:00:00","" "7232668","10.097","0.007","11.51","0.008","18.588","0.012","90","","100.972","0.017","90","","2121","2","566","2","566","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 O -","- C28 H20 N2 O -","- C112 H80 N8 O4 -","4","1","","Neelambra, Afeefah U.; Govind, Chinju; Devassia, Tessy T.; Somashekharappa, Guruprasad M.; Karunakaran, Venugopal","Direct evidence of solvent polarity governing the intramolecular charge and energy transfer: ultrafast relaxation dynamics of push-pull fluorene derivatives.","Physical chemistry chemical physics : PCCP","2019","21","21","11087","11102","10.1039/c9cp00796b","","","0.71073","MoKα","","0.0978","0.082","","","0.1974","0.2186","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232673","15.1625","0.0009","10.8096","0.0006","43.139","0.003","90","","90","","90","","7070.5","0.8","112","2","112","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H48 N2 O2 S2 -","- C38 H48 N2 O2 S2 -","- C304 H384 N16 O16 S16 -","8","1","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure–property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","1.54178","CuKα","","0.0727","0.067","","","0.1372","0.14","","","","","","1.175","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232674","13.8935","0.0006","15.9032","0.0007","15.2978","0.0007","90","","108.757","0.002","90","","3200.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H44 N2 O4 -","- C36 H44 N2 O4 -","- C144 H176 N8 O16 -","4","2","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure–property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","1.54178","CuKα","","0.0398","0.0353","","","0.0867","0.0894","","","","","","1.054","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25","" "7232675","5.3026","0.0008","9.7451","0.0014","15.944","0.002","98.317","0.003","94.448","0.003","92.455","0.003","811.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","1","0.5","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure–property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","0.71073","Mo-Kα","","0.0519","0.0398","","","0.1002","0.1071","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232676","5.335","0.0009","9.684","0.0012","16.482","0.0018","73.861","0.005","84.239","0.007","88.632","0.009","813.83","0.19","80","2","80","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","1","0.5","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure–property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","0.5636","synchrotron","","0.0348","0.0339","","","0.0951","0.0961","","","","","","1.064","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232677","9.1924","0.0004","18.5092","0.0008","29.8277","0.0012","98.893","0.002","94.559","0.002","90.651","0.002","4996.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","- C216 H264 N12 O12 S12 -","6","3","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure–property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","0.71073","MoKα","","0.0997","0.0612","","","0.1277","0.148","","","","","","1.121","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25","" "7232678","9.8106","0.0003","15.2713","0.0006","14.7499","0.0006","90","","102.098","0.004","90","","2160.76","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Li N4 O5 -","- C22 H24 Li N4 O5 -","- C88 H96 Li4 N16 O20 -","4","1","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited – the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.087","0.0454","","","0.0789","0.0905","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232679","9.2736","0.0006","11.0659","0.0007","11.868","0.0006","83.741","0.005","89.921","0.004","68.591","0.006","1126.14","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 N8 Na2 O10 -","- C44 H48 N8 Na2 O10 -","- C44 H48 N8 Na2 O10 -","1","0.5","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited – the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.1133","0.0576","","","0.1057","0.1242","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232680","8.3408","0.0004","12.4515","0.0006","16.7083","0.0009","102.611","0.004","92.029","0.004","99.896","0.004","1663.38","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N8 Na O6 -","- C34 H30 N8 Na O6 -","- C68 H60 N16 Na2 O12 -","2","1","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited ‒ the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.1466","0.1083","","","0.1871","0.2025","","","","","","1.224","","","","has coordinates,has disorder","223691","2020-10-21","18:00:00","" "7232681","23.6351","0.0002","8.1777","0.0001","26.7566","0.0003","90","","98.007","0.001","90","","5121.12","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H56 K2 N8 O12 -","- C48 H56 K2 N8 O12 -","- C192 H224 K8 N32 O48 -","4","0.5","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited – the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.0272","0.0252","","","0.0665","0.0679","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232682","8.3032","0.0005","12.43","0.0007","16.5807","0.0012","97.615","0.005","100.354","0.005","100.015","0.005","1633.89","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Li N8 O6 -","- C34 H30 Li N8 O6 -","- C68 H60 Li2 N16 O12 -","2","1","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited – the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.1523","0.0767","","","0.1662","0.1938","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232683","8.9568","0.0001","10.4462","0.0002","19.2221","0.0003","95.594","0.002","91.222","0.001","92.512","0.002","1787.63","0.05","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","N-(triphenylacetyl)glycine","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C88 H76 N4 O12 -","4","2","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.045","0.0434","","","0.1167","0.1185","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232684","13.1517","0.0002","9.5286","0.0001","15.2352","0.0002","90","","91.793","0.001","90","","1908.3","0.04","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-alanine","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","2","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0357","0.0353","","","0.0941","0.0946","","","","","","1.055","","","","has coordinates,has disorder","223495","2020-10-21","18:00:00","" "7232685","9.7079","0.0012","9.4265","0.0008","13.9926","0.0013","90","","107.665","0.012","90","","1220.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-tryptophan","","- C31 H26 N2 O3 -","- C31 H26 N2 O3 -","- C62 H52 N4 O6 -","2","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0555","0.0454","","","0.089","0.0961","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232686","8.941","0.0002","8.941","0.0002","54.361","0.002","90","","90","","90","","4345.7","0.2","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","N-(triphenylacetyl)-L-methionine","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C200 H200 N8 O24 S8 -","8","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0786","0.0645","","","0.1107","0.1158","","","","","","1.122","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232687","9.172","0.0002","32.882","0.0005","13.538","0.0003","90","","90.126","0.002","90","","4082.97","0.14","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-proline methylester","","- C26 H25 N O3 -","- C26 H25 N O3 -","- C208 H200 N8 O24 -","8","4","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54184","CuKα","","0.0394","0.0393","","","0.1054","0.1054","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232688","13.3958","0.0006","9.2202","0.0003","16.7458","0.0007","90","","108.447","0.005","90","","1962.03","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(triphenylacetyl)glycylglycine","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0489","0.0384","","","0.0882","0.0944","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232689","8.5896","0.0001","9.9657","0.0001","12.7116","0.0002","90","","94.914","0.001","90","","1084.13","0.02","291","1","291","1","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-valine","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C50 H50 N2 O6 -","2","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0352","0.0347","","","0.0911","0.0918","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232690","14.3139","0.0002","15.9294","0.0002","9.1186","0.0001","90","","90","","90","","2079.15","0.05","294","2","294","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N-(triphenylacetyl)-L-proline","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54184","CuKα","","0.0319","0.0312","","","0.082","0.0831","","","","","","1.061","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232691","9.6669","0.0003","14.8741","0.0006","19.1839","0.0006","86.367","0.004","81.808","0.003","71.038","0.003","2581.65","0.16","130","2","130","2","","","","","","","","4","P 1","P 1","1","","N-(triphenylacetyl)glycylamino(1-cyclohexyl)ethane","","- C30 H34 N2 O2 -","- C30 H34 N2 O2 -","- C120 H136 N8 O8 -","4","4","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0424","0.0399","","","0.1067","0.109","","","","","","1.053","","","","has coordinates,has disorder","223495","2020-10-21","18:00:00","" "7232692","8.5012","0.0001","9.8952","0.0001","12.8936","0.0002","90","","92.27","0.001","90","","1083.77","0.02","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-tert-leucine","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C52 H54 N2 O6 -","2","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0242","0.0241","","","0.0627","0.0628","","","","","","1.076","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232693","9.1939","0.0004","10.3126","0.0004","24.1891","0.0008","90","","90","","90","","2293.44","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(triphenylacetyl)-L-tyrosine","","- C29 H25 N O4 -","- C29 H25 N O4 -","- C116 H100 N4 O16 -","4","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0581","0.0431","","","0.0841","0.0925","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232694","9.8268","0.0002","10.7524","0.0002","12.3034","0.0003","104.385","0.002","99.112","0.002","92.482","0.002","1238.7","0.05","130","2","130","2","","","","","","","","4","P 1","P 1","1","","N-(triphenylacetyl)glycylamino(1-tert-butyl)ethane","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C56 H64 N4 O4 -","2","2","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0319","0.0316","","","0.0852","0.0855","","","","","","1.08","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232700","6.7747","0.0003","6.9936","0.0002","10.2745","0.0004","90","","99.508","0.004","90","","480.11","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H12 O2 -","- C12 H12 O2 -","- C24 H24 O4 -","2","1","","Zhang, Ying-Qi; Zhu, Xin-Qi; Xu, Yin; Bu, Hao-Zhen; Wang, Jia-Le; Zhai, Tong-Yi; Zhou, Jin-Mei; Ye, Long-Wu","Synthesis of functionalized 3-isochromanones via metal-free intramolecular alkoxylation-initiated cascade cyclization","Green Chemistry","2019","21","11","3023","","10.1039/C9GC01030K","","","1.54184","CuKα","","0.0313","0.0308","","","0.0776","0.0782","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232721","29.7813","0.0012","15.7987","0.0007","23.7492","0.0009","90","","101.808","0.002","90","","10937.7","0.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 Co2 N4 O10 -","- C44 H36 Co2 N4 O10 -","- C352 H288 Co16 N32 O80 -","8","2","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","x-ray","0.71073","MoKα","","0.1456","0.085","","","0.2411","0.2894","","","","","","1.088","","","","has coordinates","223489","2020-10-21","18:00:00","" "7232722","7.936","0.004","14.009","0.007","15.45","0.008","90","","92.041","0.006","90","","1716.6","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Cu(def)(bpy)]NO3","","- C17 H16 Cu N4 O5 -","- C17 H16 Cu N4 O5 -","- C68 H64 Cu4 N16 O20 -","4","1","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","","0.71073","MoKα","","0.1552","0.0618","","","0.124","0.1594","","","","","","0.994","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232723","30.071","0.003","7.8976","0.0006","23.8471","0.0017","90","","101.951","0.004","90","","5540.7","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Co2 N4 O10 -","- C44.12 H36 Co2 N4 O10 -","- C176.48 H144 Co8 N16 O40 -","4","0.5","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","","0.71073","MoKα","","0.1682","0.1391","","","0.2845","0.3033","","","","","","1.241","","","","has coordinates,has disorder","223489","2020-10-21","18:00:00","" "7232724","23.7632","0.0011","9.8043","0.0005","20.3897","0.001","90","","102.36","0.002","90","","4640.3","0.4","298","2","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Co2 N4 O10 -","- C44 H36 Co2 N4 O10 -","- C176 H144 Co8 N16 O40 -","4","0.5","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","","0.71073","MoKα","","0.0793","0.0431","","","0.0859","0.0996","","","","","","1.039","","","","has coordinates","223489","2020-10-21","18:00:00","" "7232725","23.7504","0.0014","9.7971","0.0006","20.323","0.0012","90","","104.156","0.002","90","","4585.3","0.5","298","2","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Co2 N4 O10 -","- C44 H36 Co2 N4 O10 -","- C176 H144 Co8 N16 O40 -","4","0.5","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","x-ray","0.71073","MoKα","","0.1191","0.0489","","","0.1006","0.1371","","","","","","1.018","","","","has coordinates","223489","2020-10-21","18:00:00","" "7232726","20.2486","0.001","6.7682","0.0002","20.858","0.001","90","","118.296","0.006","90","","2517","0.2","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 N3 O2 -","- C33 H27 N3 O2 -","- C132 H108 N12 O8 -","4","1","","Li, Chunmei; Zhang, Furen; Qi, Chenze","A multicomponent two-step strategy for the synthesis of polysubstituted pyrrolo[3,2-c]pyridin-4-ones using a solid acid as a recyclable catalyst","Green Chemistry","2019","21","11","3109","","10.1039/C9GC01120J","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232730","5.1481","0.0001","13.6138","0.0002","7.7426","0.0001","90","","90","","90","","542.642","0.015","298","2","298","2","","","0","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.71073","MoKα","","0.0287","0.0263","","","0.0676","0.0702","","","","","","0.823","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232731","4.9556","0.0009","13.322","0.004","6.874","0.002","90","","90","","90","","453.8","0.2","296","2","296","2","","","5.2","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0748","0.0593","","","0.1466","0.1545","","","","","","1.066","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232732","5.0359","0.0006","13.462","0.003","7.2375","0.0016","90","","90","","90","","490.65","0.16","296","2","296","2","","","2.05","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.081","0.064","","","0.135","0.1506","","","","","","1.089","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232733","4.879","0.003","13.135","0.008","6.658","0.006","90","","90","","90","","426.7","0.5","298","2","298","2","","","8.5","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0736","0.0617","","","0.1388","0.1423","","","","","","1.08","","","","has coordinates","223668","2020-10-21","18:00:00","" "7232734","5.0055","0.0002","13.4104","0.0009","7.1162","0.0004","90","","90","","90","","477.68","0.05","296","2","296","2","","","3.23","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0671","0.0615","","","0.1476","0.1517","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232735","5.0694","0.001","13.492","0.006","7.403","0.004","90","","90","","90","","506.3","0.4","296","2","296","2","","","1.26","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.139","0.0879","","","0.2063","0.2341","","","","","","1.004","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232736","4.933","0.002","13.248","0.009","6.841","0.003","90","","90","","90","","447.1","0.4","298","2","298","2","","","5.91","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0753","0.0572","","","0.1389","0.1561","","","","","","1.126","","","","has coordinates","223668","2020-10-21","18:00:00","" "7232737","4.9824","0.0006","13.353","0.003","7.0029","0.0014","90","","90","","90","","465.9","0.15","296","2","296","2","","","4.02","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0727","0.0622","","","0.1656","0.1718","","","","","","1.124","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232738","4.9715","0.0014","13.236","0.007","7.042","0.002","90","","90","","90","","463.4","0.3","298","2","298","2","","","3.97","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0886","0.0573","","","0.136","0.1447","","","","","","1.006","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232739","4.9154","0.0009","13.23","0.005","6.7665","0.0014","90","","90","","90","","440","0.2","296","2","296","2","","","6.67","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0936","0.0669","","","0.1462","0.1583","","","","","","1.106","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232740","4.9383","0.0019","13.25","0.005","6.841","0.003","90","","90","","90","","447.6","0.3","298","2","298","2","","","6.12","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0778","0.0636","","","0.1549","0.1613","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232741","4.773","0.003","12.91","0.008","6.363","0.006","90","","90","","90","","392.1","0.5","298","2","298","2","","","15.78","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0926","0.0667","","","0.1607","0.1757","","","","","","1.004","","","","has coordinates","223668","2020-10-21","18:00:00","" "7232742","4.799","0.002","12.972","0.005","6.432","0.003","90","","90","","90","","400.4","0.3","298","2","298","2","","","13.94","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0602","0.0546","","","0.1368","0.1401","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232743","4.768","0.004","12.883","0.01","6.353","0.007","90","","90","","90","","390.2","0.6","298","2","298","2","","","17.05","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.1161","0.0862","","","0.2167","0.2282","","","","","","1.114","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232744","4.771","0.003","12.903","0.006","6.361","0.004","90","","90","","90","","391.6","0.4","298","2","298","2","","","15.2","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0862","0.0653","","","0.1512","0.1613","","","","","","0.948","","","","has coordinates","223668","2020-10-21","18:00:00","" "7232745","4.842","0.006","13.025","0.017","6.589","0.012","90","","90","","90","","415.5","1.1","298","2","298","2","","","9.82","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.1438","0.0914","","","0.2197","0.245","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232746","4.823","0.004","13.027","0.01","6.481","0.007","90","","90","","90","","407.2","0.6","298","2","298","2","","","11.19","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.079","0.0533","","","0.1332","0.1416","","","","","","1.037","","","","has coordinates","223668","2020-10-21","18:00:00","" "7232747","4.62","0.009","12.52","0.02","6.037","0.014","90","","92.54","0.04","90","","348.9","1.2","298","2","298","2","","","22.31","","","","","4","P 1 21 1","P 2yb","4","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","2","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0917","0.0785","","","0.1805","0.196","","","","","","1.148","","","","has coordinates","223668","2020-10-21","18:00:00","" "7232748","4.823","0.005","13.025","0.012","6.457","0.008","90","","90","","90","","405.6","0.8","298","2","298","2","","","13","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0649","0.0584","","","0.1492","0.1559","","","","","","1.266","","","","has coordinates","223668","2020-10-21","18:00:00","" "7232749","4.735","0.005","12.823","0.013","6.275","0.008","90","","91.14","0.03","90","","380.9","0.7","298","2","298","2","","","18.2","","","","","4","P 1 21 1","P 2yb","4","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","2","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0926","0.0782","","","0.1806","0.1918","","","","","","1.049","","","","has coordinates","223668","2020-10-21","18:00:00","" "7232750","4.679","0.006","12.659","0.013","6.143","0.009","90","","91.42","0.03","90","","363.7","0.8","298","2","298","2","","","20.62","","","","","4","P 1 21 1","P 2yb","4","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","2","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.1445","0.1115","","","0.273","0.2952","","","","","","1.18","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232751","7.9261","0.0019","11.402","0.003","15.557","0.004","90","","90","","90","","1405.9","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","furfural","furan-2-carbaldehyde","","- C5 H4 O2 -","- C5 H4 O2 -","- C60 H48 O24 -","12","3","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","1.54178","CuKα","","0.0428","0.0389","","","0.0988","0.1027","","","","","","1.077","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232752","5.8006","0.0013","7.8838","0.0018","11.355","0.003","94.479","0.004","92.173","0.004","96.464","0.004","513.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","furfurylamine","1-(2-furyl)methylamine","","- C5 H7 N O -","- C5 H7 N O -","- C20 H28 N4 O4 -","4","2","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","0.71073","MoKα","","0.0948","0.074","","","0.2381","0.2524","","","","","","1.142","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232753","5.2801","0.0003","12.0768","0.0007","7.2295","0.0004","90","","98.788","0.001","90","","455.59","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-furonitrile","furan-2-carbonitrile","","- C5 H3 N O -","- C5 H3 N O -","- C20 H12 N4 O4 -","4","1","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","1.54178","CuKα","","0.0361","0.0361","","","0.1044","0.1045","","","","","","1.066","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232754","12.4727","0.0015","12.4727","0.0015","6.0594","0.0007","90","","90","","90","","942.65","0.19","100","2","100","2","","","","","","","","3","P 42 b c","P 4c -2ab","106","","2-methylfuran","","- C5 H6 O -","- C5 H6 O -","- C40 H48 O8 -","8","1","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","1.54178","CuKα","","0.0214","0.0207","","","0.0507","0.0509","","","","","","1.1","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232755","17.143","0.008","11.806","0.006","7.399","0.01","90","","90","","90","","1497","2","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","paracetamol","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","x-ray","0.71073","MoKα","","0.1488","0.0683","","","0.1635","0.2071","","","","","","1.082","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232756","12.9717","0.0015","17.1881","0.0009","13.0437","0.0019","90","","116.032","0.008","90","","2613.2","0.5","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","paracetamol:methanol solvate, (1:1)","acetaminophen:methanol solvate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C108 H156 N12 O36 -","12","3","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","x-ray","0.71073","MoKα","","0.1947","0.1291","","","0.3349","0.4172","","","","","","1.552","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232757","17.1202","0.0017","11.7968","0.0011","7.288","0.002","90","","90","","90","","1471.9","0.5","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","paracetamol","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","","0.71073","MoKα","","0.0955","0.0579","","","0.1272","0.147","","","","","","1.076","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232758","17.1522","0.0005","11.8201","0.0004","7.3985","0.0002","90","","90","","90","","1499.98","0.08","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","","1.54178","CuKα","","0.0585","0.0448","","","0.1178","0.1223","","","","","","1.073","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232759","13.0234","0.0015","17.2078","0.0009","13.0925","0.0015","90","","116.209","0.007","90","","2632.4","0.5","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","paracetamol:methanol solvate, (1:1)","acetaminophen:methanol solvate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C108 H156 N12 O36 -","12","3","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","x-ray","0.71073","MoKα","","0.1259","0.0941","","","0.2449","0.2721","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232760","10.567","0.0003","11.7875","0.0003","11.2791","0.0003","90","","101.443","0.003","90","","1376.98","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H17 N5 Na2 O8 -","- C20 H68 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.0887","0.0465","","","0.0992","0.1159","","","","","","1.009","","","","has coordinates","223665","2020-10-21","18:00:00","" "7232761","10.5372","0.0006","11.191","0.006","10.8339","0.0007","90","","102.017","0.006","90","","1249.6","0.7","293","2","293","2","","","2000000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.0997","0.0746","","","0.2039","0.2233","","","","","","1.118","","","","has coordinates","223665","2020-10-21","18:00:00","" "7232762","10.5575","0.0008","11.58","0.007","11.1164","0.0008","90","","101.657","0.007","90","","1331","0.8","293","2","293","2","","","600000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.11","0.0777","","","0.1991","0.2229","","","","","","1.125","","","","has coordinates","223665","2020-10-21","18:00:00","" "7232763","10.5403","0.001","11.077","0.01","10.7701","0.001","90","","101.972","0.008","90","","1230.1","1.1","293","2","293","2","","","2500000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.1087","0.075","","","0.1924","0.2181","","","","","","1.086","","","","has coordinates","223665","2020-10-21","18:00:00","" "7232764","10.5398","0.0006","11.142","0.005","10.8026","0.0006","90","","102.027","0.005","90","","1240.8","0.6","293","2","293","2","","","2300000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.0996","0.0747","","","0.199","0.2185","","","","","","1.091","","","","has coordinates","223665","2020-10-21","18:00:00","" "7232765","10.5441","0.0007","11.239","0.007","10.8819","0.0008","90","","101.974","0.006","90","","1261.5","0.8","293","2","293","2","","","1800000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.1016","0.0778","","","0.2012","0.2201","","","","","","1.092","","","","has coordinates","223665","2020-10-21","18:00:00","" "7232766","10.538","0.0007","11.433","0.007","10.992","0.0008","90","","101.824","0.006","90","","1296.2","0.8","293","2","293","2","","","1200000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.1034","0.0731","","","0.1837","0.207","","","","","","1.095","","","","has coordinates","223665","2020-10-21","18:00:00","" "7232770","9.982","0.004","10.918","0.003","15.273","0.002","90","","107.315","0.005","90","","1589.1","0.8","205","","205","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 N5 O4 -","- C13 H19 N5 O4 -","- C52 H76 N20 O16 -","4","1","","Zhou, Wen-Xiu; Zhao, Hong-Wei; Chen, Huan-Huan; Zhang, Zai-Yong; Chen, Dong-Ying","Characterization of drug–drug salt forms of metformin and aspirin with improved physicochemical properties","CrystEngComm","2019","21","25","3770","","10.1039/C9CE00377K","","","0.71073","MoKα","","0.0847","0.0499","","","0.129","0.1512","","","","","","0.96","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232771","9.0858","0.0009","11.9718","0.0012","16.5784","0.0017","69.9","0.001","75.107","0.002","67.877","0.003","1551.8","0.3","205","2","205","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H40 N10 O9 -","- C26 H40 N10 O9 -","- C52 H80 N20 O18 -","2","1","","Zhou, Wen-Xiu; Zhao, Hong-Wei; Chen, Huan-Huan; Zhang, Zai-Yong; Chen, Dong-Ying","Characterization of drug–drug salt forms of metformin and aspirin with improved physicochemical properties","CrystEngComm","2019","21","25","3770","","10.1039/C9CE00377K","","","0.71073","MoKα","","0.1049","0.0535","","","0.1125","0.1369","","","","","","0.962","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232772","10.5578","0.0011","7.5212","0.0016","15.993","0.002","90","","108.303","0.011","90","","1205.7","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Br O -","- C13 H15 Br O -","- C52 H60 Br4 O4 -","4","1","","Chen, Chao; Kang, Jun-Chen; Mao, Chen; Dong, Jia-Wei; Xie, Yu-Yang; Ding, Tong-Mei; Tu, Yong-Qiang; Chen, Zhi-Min; Zhang, Shu-Yu","Electrochemical halogenation/semi-pinacol rearrangement of allylic alcohols using inorganic halide salt: an eco-friendly route to the synthesis of β-halocarbonyls","Green Chemistry","2019","21","15","4014","","10.1039/C9GC01152H","","","1.54178","CuKα","","0.057","0.0543","","","0.1928","0.1968","","","","","","1.121","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232773","7.491","0.0004","11.4453","0.0006","13.0462","0.0006","100.758","0.004","92.216","0.004","93.539","0.004","1095.35","0.1","293","","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N10 O -","- C24 H20 N10 O -","- C48 H40 N20 O2 -","2","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC–SC transformation within the ZnII–triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","1.54184","CuKα","","0.0405","0.0378","","","0.0954","0.0979","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232774","17.897","0.002","14.8153","0.0015","21.628","0.002","90","","98.305","0.011","90","","5674.5","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H20.4 Cl5 Cu N10 O0.7 -","- C25 H19 Cl5 Cu N10 O0.7 -","- C200 H152 Cl40 Cu8 N80 O5.6 -","8","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.1026","0.0636","","","0.1526","0.1708","","","","","","1.063","","","","has coordinates,has disorder","223490","2020-10-21","18:00:00","" "7232775","10.9739","0.0006","12.7951","0.0007","13.6318","0.0006","104.805","0.004","96.979","0.004","91.525","0.005","1833.5","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Br6 N12 O6 Zn -","- C25 H19 Br3 N12 O6 Zn -","- C50 H38 Br6 N24 O12 Zn2 -","2","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","1.54184","CuKα","","0.0809","0.0682","","","0.1898","0.2018","","","","","","1.094","","","","has coordinates","223490","2020-10-21","18:00:00","" "7232776","12.359","0.01","12.665","0.009","13.855","0.01","75.7","0.03","72.44","0.02","87.55","0.04","2002","3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N12 O6 Zn -","- C24 H18 N12 O6 Zn -","- C48 H36 N24 O12 Zn2 -","2","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.121","0.0941","","","0.2594","0.278","","","","","","1.009","","","","has coordinates","223490","2020-10-21","18:00:00","" "7232777","18.5353","0.0015","15.4936","0.0015","21.554","0.002","90","","96.986","0.002","90","","6143.9","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H28.5 Cl2 Mn N11.5 O1.5 -","- C28.5 H28.5 Cl2 Mn N11.5 O1.5 -","- C228 H228 Cl16 Mn8 N92 O12 -","8","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.0863","0.0542","","","0.1229","0.1436","","","","","","1.009","","","","has coordinates,has disorder","223490","2020-10-21","18:00:00","" "7232778","14.917","0.003","20.459","0.004","15.642","0.003","90","","116.312","0.003","90","","4279.1","1.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N10 -","- C24 H18 N10 -","- C192 H144 N80 -","8","2","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC–SC transformation within the ZnII–triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.1053","0.0548","","","0.1322","0.1613","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232779","29.6595","0.0007","12.2726","0.0005","32.6526","0.0009","90","","100.427","0.002","90","","11689.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H55.5 Cl2 Fe N20 O9.75 -","- C48 H38 Cl2 Fe N20 O3 -","- C384 H304 Cl16 Fe8 N160 O24 -","8","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.0936","0.0719","","","0.1944","0.2122","","","","","","1.024","","","","has coordinates","223490","2020-10-21","18:00:00","" "7232780","19.885","0.006","21.893","0.006","14.279","0.004","90","","126.457","0.003","90","","5000","2","273","2","273","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C21 H19 N12 O4 Zn2 -","- C21 H17 N12 O4 Zn2 -","- C84 H68 N48 O16 Zn8 -","4","0.5","","Sheng, Donghai; Zhang, Ying; Han, Yang; Xu, Guang; Song, Qingxiang; Hu, Yanping; Liu, Xiangyun; Shan, Dongming; Cheng, Achao","A zinc(ii) metal‒organic framework with high affinity for CO2 based on triazole and tetrazolyl benzene carboxylic acid","CrystEngComm","2019","21","24","3679","","10.1039/C9CE00513G","","","0.71073","MoKα","","0.068","0.0548","","","0.2038","0.2144","","","","","","1.226","","","","has coordinates","223477","2020-10-21","18:00:00","" "7232781","9.8451","0.0003","15.1918","0.0004","7.4842","0.0002","90","","108.573","0.003","90","","1061.07","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-lutidinium hydrogen fumarate","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","1","","Corlett, Emily K.; Blade, Helen; Hughes, Leslie P.; Sidebottom, Philip J.; Walker, David; Walton, Richard I.; Brown, Steven P.","An XRD and NMR crystallographic investigation of the structure of 2,6-lutidinium hydrogen fumarate","CrystEngComm","2019","21","22","3502","","10.1039/C9CE00633H","","x-ray","1.54184","CuKα","","0.0413","0.0373","","","0.0982","0.1018","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232788","8.8518","0.0002","15.3215","0.0003","10.3543","0.0003","90","","113.274","0.001","90","","1290.01","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 Cl N2 O -","- C15 H11 Cl N2 O -","- C60 H44 Cl4 N8 O4 -","4","2","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0229","0.0221","","","0.0558","0.0565","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232789","17.616","0.003","5.6004","0.001","12.779","0.002","90","","98.051","0.006","90","","1248.3","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl N2 O -","- C15 H11 Cl N2 O -","- C60 H44 Cl4 N8 O4 -","4","1","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0853","0.0572","","","0.1196","0.1317","","","","","","1.107","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232790","10.8013","0.0002","15.1552","0.0003","12.7524","0.0003","90","","94.871","0.001","90","","2079.98","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 I N2 O -","- C15 H11 I N2 O -","- C90 H66 I6 N12 O6 -","6","3","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0188","0.0181","","","0.0369","0.0373","","","","","","1.074","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232791","6.4513","0.0003","7.9032","0.0003","23.1654","0.0009","90","","96.107","0.001","90","","1174.41","0.08","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 F N2 O -","- C15 H11 F N2 O -","- C60 H44 F4 N8 O4 -","4","1","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.043","0.0387","","","0.0953","0.0979","","","","","","1.105","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25","" "7232792","15.8947","0.0003","21.2266","0.0004","8.0859","0.0001","90","","90","","90","","2728.11","0.08","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C15 H11 I N2 O -","- C15 H11 I N2 O -","- C120 H88 I8 N16 O8 -","8","1","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0136","0.0134","","","0.0332","0.0333","","","","","","1.081","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232793","21.525","0.001","9.597","0.0005","14.745","0.0006","90","","121.67","0.03","90","","2592.4","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Br F3 N O2 -","- C12 H11 Br F3 N O2 -","- C96 H88 Br8 F24 N8 O16 -","8","1","","Zou, Long; Li, Pinhua; Wang, Bin; Wang, Lei","Visible-light-induced radical cyclization of N-allylbenzamides with CF3SO2Na to trifluoromethylated dihydroisoquinolinones in water at room temperature","Green Chemistry","2019","21","12","3362","","10.1039/C9GC00938H","","","0.71073","MoKα","","0.1948","0.0612","","","0.0886","0.1127","","","","","","0.859","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232802","20.0543","0.0006","8.8607","0.0003","25.1405","0.0008","90","","90","","90","","4467.3","0.2","170","2","170.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C224 H208 N16 O16 -","8","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","1.34139","GaKα","","0.1829","0.0926","","","0.1703","0.2082","","","","","","1.069","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25","" "7232803","16.755","0.0008","19.747","0.001","7.6891","0.0004","90","","98.211","0.003","90","","2517.9","0.2","170","2","170.02","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 F2 N2 O2 -","- C28 H24 F2 N2 O2 -","- C112 H96 F8 N8 O8 -","4","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","1.34139","GaKα","","0.094","0.0713","","","0.2004","0.219","","","","","","1.056","","","","has coordinates","223468","2020-10-21","18:00:00","" "7232804","17.384","0.004","19.973","0.005","7.823","0.002","90","","98.17","0.01","90","","2688.7","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Br2 N2 O2 -","- C28 H24 Br2 N2 O2 -","- C112 H96 Br8 N8 O8 -","4","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","0.71073","MoKα","","0.1311","0.0719","","","0.1798","0.2155","","","","","","1.021","","","","has coordinates","223468","2020-10-21","18:00:00","" "7232805","17.277","0.002","19.953","0.003","7.804","0.0011","90","","98.811","0.005","90","","2658.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl2 N2 O2 -","- C28 H24 Cl2 N2 O2 -","- C112 H96 Cl8 N8 O8 -","4","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","0.71073","MoKα","","0.1443","0.0692","","","0.1488","0.1926","","","","","","1.016","","","","has coordinates","223468","2020-10-21","18:00:00","" "7232807","7.458","0.0004","10.663","0.0006","15.677","0.0007","82.162","0.002","87.933","0.002","72.31","0.002","1176.64","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[tetraaqua(5-bromonicotinato-k2O,O')bis(5-bromonicotinato-kO)dysprosium(III)]","","- C18 H17 Br3 Dy N3 O10 -","- C18 H17 Br3 Dy N3 O10 -","- C36 H34 Br6 Dy2 N6 O20 -","2","1","","Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio","Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties","CrystEngComm","2019","21","25","3881","","10.1039/C9CE00292H","","","0.71073","MoKα","","0.0446","0.0275","","","0.0418","0.0448","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232808","11.61","0.0005","15.8524","0.0008","16.6978","0.0006","90","","90.443","0.003","90","","3073.1","0.2","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","[tetraaquabis(5-bromonicotinato-kO)ytterbium(III)] [diaquabis(5-bromonicotinato-k2O,O')bis(5-bromonicotinato-kO)dysprosium(III)] bis(5-bromonicotinic acid)","","- C24 H19 Br4 N4 O11 Yb -","- C24 H19 Br4 N4 O11 Yb -","- C96 H76 Br16 N16 O44 Yb4 -","4","1","","Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio","Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties","CrystEngComm","2019","21","25","3881","","10.1039/C9CE00292H","","","0.71073","MoKα","","0.1166","0.0558","","","0.0721","0.0847","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232809","10.163","0.0005","11.526","0.0006","11.611","0.0006","88.319","0.002","85.525","0.002","69.254","0.002","1268.03","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","poly-{[triaquabis(mu-5-bromonicotinato-kO:kO')(5-bromonicotinato-kO)neodymium(III)] hydrate}","","- C18 H17 Br3 N3 Nd O10 -","- C18 H17 Br3 N3 Nd O10 -","- C36 H34 Br6 N6 Nd2 O20 -","2","1","","Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio","Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties","CrystEngComm","2019","21","25","3881","","10.1039/C9CE00292H","","","0.71073","MoKα","","0.0431","0.0278","","","0.0465","0.05","","","","","","1.017","","","","has coordinates,has disorder","223614","2020-10-21","18:00:00","" "7232810","11.686","0.0006","15.9703","0.0009","16.7415","0.0009","90","","90.246","0.002","90","","3124.4","0.3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","[tetraaquabis(5-bromonicotinato-kO)terbium(III)][diaquabis(5-bromonicotinato-k2O,O')bis(5-bromonicotinato-kO)terbium(III)] bis(5-bromonicotinic acid)","","- C24 H19 Br4 N4 O11 Tb -","- C24 H19 Br4 N4 O11 Tb -","- C96 H76 Br16 N16 O44 Tb4 -","4","1","","Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio","Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties","CrystEngComm","2019","21","25","3881","","10.1039/C9CE00292H","","","0.71073","MoKα","","0.0613","0.0355","","","0.0597","0.0666","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232814","18.4694","0.0007","18.4694","0.0007","61.6922","0.0019","90","","90","","90","","21044.4","1.3","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C104.5 H82 Cl Co4 N16 O24.5 -","- C104.52 H82.04 Cl Co4 N16 O24.5 -","- C836.16 H656.32 Cl8 Co32 N128 O196 -","8","0.25","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.1448","0.1276","","","0.2955","0.3064","","","","","","1.317","","","","has coordinates,has disorder","223613","2020-10-21","18:00:00","" "7232815","10.7442","0.0017","12.3398","0.0019","12.8388","0.0018","66.107","0.005","78.733","0.006","82.276","0.006","1523.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H58 N12 Ni2 O12 -","- C70 H58 N12 Ni2 O12 -","- C70 H58 N12 Ni2 O12 -","1","0.5","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.1234","0.061","","","0.1311","0.1775","","","","","","1.073","","","","has coordinates","223613","2020-10-21","18:00:00","" "7232816","6.3774","0.0004","17.5788","0.0011","22.2159","0.0016","90","","93.83","0.007","90","","2485","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 Ni O7 -","- C26 H22 N4 Ni O7 -","- C104 H88 N16 Ni4 O28 -","4","1","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.0669","0.0456","","","0.0996","0.1083","","","","","","1.068","","","","has coordinates","223613","2020-10-21","18:00:00","" "7232817","13.1863","0.0005","17.4063","0.0007","9.3405","0.0004","90","","90","","90","","2143.88","0.15","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Co N4 O4 -","- C26 H18 Co N4 O4 -","- C104 H72 Co4 N16 O16 -","4","0.5","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.0305","0.0266","","","0.0687","0.0708","","","","","","1.059","","","","has coordinates","223613","2020-10-21","18:00:00","" "7232818","21.3071","0.0014","17.9878","0.001","19.088","0.0011","90","","96.875","0.007","90","","7263.2","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H38 Co4 N12 O14 -","- C54 H38 Co4 N12 O14 -","- C216 H152 Co16 N48 O56 -","4","0.5","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.0825","0.0558","","","0.1386","0.1487","","","","","","1.031","","","","has coordinates,has disorder","223613","2020-10-21","18:00:00","" "7232819","10.9672","0.0006","17.424","0.0011","11.3309","0.0006","90","","90.75","0.006","90","","2165.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Co N4 O6 -","- C22 H22 Co N4 O6 -","- C88 H88 Co4 N16 O24 -","4","1","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.709317","MOKα","","0.1606","0.1231","","","0.2855","0.2999","","","","","","1.2","","","","has coordinates","223613","2020-10-21","18:00:00","" "7232823","4.531","0.0007","11.5783","0.0001","15.7188","0.0002","90","","93.69","0.01","90","","822.92","0.13","","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Theophylline","1,3-dimethylxanthine","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Larsen, Anders S.; Olsen, Mark A.; Moustafa, Hadeel; Larsen, Flemming H.; Sauer, Stephan P. A.; Rantanen, Jukka; Madsen, Anders Ø.","Determining short-lived solid forms during phase transformations using molecular dynamics","CrystEngComm","2019","21","27","4020","","10.1039/C9CE00460B","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","","8","","","","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232836","12.3821","0.0005","8.3089","0.0004","21.5533","0.0008","90","","105.353","0.004","90","","2138.3","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C96 H116 N4 O12 -","4","1","","Gong, Ming; Kim, Jung Keun; Zhao, Xiuli; Li, Yabo; Zhang, Jianye; Huang, Mengmeng; Wu, Yangjie","Visible-light-induced α-oxyamination of 1,3-dicarbonyls with TEMPO via a photo(electro)catalytic process applying a DSSC anode or in a DSSC system","Green Chemistry","2019","21","13","3615","","10.1039/C9GC01154D","","x-ray","1.54184","CuKα","","0.0681","0.0479","","","0.1208","0.1402","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232837","6.4179","0.0005","7.4575","0.0005","10.8598","0.0008","74.881","0.005","74.297","0.005","88.026","0.006","482.68","0.06","205","","205","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N26 O4 -","- C8 H12 N26 O4 -","- C8 H12 N26 O4 -","1","0.5","","Xu, Yuangang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","From BTO2− to HBTO− insensitive energetic salt: a route to boost energy","CrystEngComm","2019","21","25","3873","","10.1039/C9CE00690G","","","0.71073","MoKα","","0.0902","0.0579","","","0.1584","0.1748","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232838","8.9135","0.0017","14.392","0.003","6.7544","0.0014","90","","110.499","0.004","90","","811.6","0.3","205","","205","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 N18 O4 -","- C6 H14 N18 O4 -","- C12 H28 N36 O8 -","2","0.5","","Xu, Yuangang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","From BTO2− to HBTO− insensitive energetic salt: a route to boost energy","CrystEngComm","2019","21","25","3873","","10.1039/C9CE00690G","","","0.71073","MoKα","","0.0779","0.0556","","","0.1599","0.1751","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232844","12.1578","0.0003","3.7938","0.0001","23.0837","0.0006","90","","95.103","0.002","90","","1060.5","0.05","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","CmpF","4-Fluorobenzene-N-3-pyridylcarbamate","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C48 H36 F4 N8 O8 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0493","0.0431","","","0.1012","0.1061","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232845","12.0058","0.0009","3.7726","0.0006","24.477","0.003","90","","93.046","0.011","90","","1107.1","0.2","294","2","294","1","","","","","","","","5","I 1 a 1","I -2ya","9","CmmCl","3-Chlorophenyl-N-3-pyridylcarbamate","","- C12 H9 Cl N2 O2 -","- C12 H9 Cl N2 O2 -","- C48 H36 Cl4 N8 O8 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.1426","0.0808","","","0.1828","0.233","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232846","13.2502","0.0003","3.8621","0.0001","22.9979","0.0008","90","","94.861","0.002","90","","1172.65","0.06","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","CmpBr","4-Bromobenzene-N-3-pyridylcarbamate","","- C12 H9 Br N2 O2 -","- C12 H9 Br N2 O2 -","- C48 H36 Br4 N8 O8 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0888","0.0499","","","0.0776","0.0902","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232847","26.1331","0.0019","3.7572","0.0003","11.9066","0.0007","90","","115.765","0.008","90","","1052.85","0.15","294","2","294","1","","","","","","","","5","C 1 c 1","C -2yc","9","CmmF","3-Fluorophenyl-N-3-pyridylcarbamate","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C48 H36 F4 N8 O8 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0664","0.0529","","","0.1163","0.1255","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232848","3.8471","0.0004","11.6218","0.0019","12.467","0.002","108.261","0.015","90.417","0.011","95.461","0.011","526.52","0.14","294","2","294","1","","","","","","","","5","P -1","-P 1","2","CopF","4-Fluorophenyl-N-2-pyridylcarbamate","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C24 H18 F2 N4 O4 -","2","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0823","0.0456","","","0.0962","0.1144","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232849","3.8776","0.0009","11.481","0.004","13.085","0.005","105.84","0.03","90.64","0.02","92.82","0.02","559.5","0.3","294","2","294","1","","","","","","","","5","P -1","-P 1","2","CopCl","4-Chlorophenyl-N-2-pyridylcarbamate","","- C12 H9 Cl N2 O2 -","- C12 H9 Cl N2 O2 -","- C24 H18 Cl2 N4 O4 -","2","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.1604","0.0787","","","0.1726","0.2243","","","","","","0.998","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232850","11.349","0.006","3.9443","0.0016","26.137","0.008","90","","101.34","0.05","90","","1147.2","0.9","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CopBr","4-Bromophenyl-N-2-pyridylcarbamate","","- C12 H9 Br N2 O2 -","- C12 H9 Br N2 O2 -","- C48 H36 Br4 N8 O8 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","x-ray","1.54184","CuKα","","0.0927","0.0702","","","0.1876","0.2152","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232851","3.8827","0.0005","24.756","0.002","17.742","0.002","90","","91.789","0.014","90","","1704.5","0.3","294","2","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","CmmBr","3-Bromophenyl-N-3-pyridylcarbamate","","- C12 H9 Br N2 O2 -","- C12 H9 Br N2 O2 -","- C72 H54 Br6 N12 O12 -","6","3","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.2284","0.0517","","","0.0745","0.0958","","","","","","0.63","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232852","12.9792","0.0003","3.8079","0.0001","23.0781","0.0006","90","","95.036","0.002","90","","1136.2","0.05","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","CmpCl","4-Chlorobenzene-N-3-pyridylcarbamate","","- C12 H9 Cl N2 O2 -","- C12 H9 Cl N2 O2 -","- C48 H36 Cl4 N8 O8 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0556","0.0472","","","0.1212","0.1285","","","","","","1.11","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232857","5.767","0.005","10.249","0.009","16.039","0.014","90","","90","","90","","948","1.4","138","2","138","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","IIa","Phenyl pyrazine-2-carboxylate (IIa)","","- C11 H8 N2 O2 -","- C11 H8 N2 O2 -","- C44 H32 N8 O8 -","4","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.0572","0.0565","","","0.1271","0.1281","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232858","12.657","0.015","5.606","0.007","13.836","0.016","90","","93.939","0.012","90","","979","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","IIb","Phenyl pyrazine-2-carboxylate (IIb)","","- C11 H8 N2 O2 -","- C11 H8 N2 O2 -","- C44 H32 N8 O8 -","4","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.0675","0.0556","","","0.148","0.1583","","","","","","1.072","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232859","7.994","0.015","6.095","0.012","20.94","0.04","90","","94.2","0.02","90","","1018","3","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ib","Phenyl pyridine-2-carboxylate (Ib)","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C48 H36 N4 O8 -","4","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.1675","0.1266","","","0.3342","0.3771","","","","","","1.081","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232860","14.759","0.003","6.9112","0.0019","20.003","0.005","90","","90","","90","","2040.4","0.9","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ia","Phenyl pyridine-2-carboxylate (Ia)","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C96 H72 N8 O16 -","8","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.2079","0.0913","","","0.1491","0.1894","","","","","","1.095","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232869","26.343","0.007","26.343","0.007","37.301","0.011","90","","90","","90","","25885","12","150","","150","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C21 H3 Mn5 N6 O24 -","- C21 H3 Mn5 N6 O24 -","- C336 H48 Mn80 N96 O384 -","16","1","","Zhang, Tao; Ling, Bo-Kai; Hu, Yue-Qiao; Han, Tian; Zheng, Yan-Zhen","An anionic manganese(ii) metal‒organic framework for uranyl adsorption","CrystEngComm","2019","21","26","3901","","10.1039/C9CE00603F","","","0.71073","MoKα","","0.1094","0.0926","","","0.2405","0.2546","","","","","","1.044","","","","has coordinates","223572","2020-10-21","18:00:00","" "7232870","14.2456","0.0008","11.4003","0.0006","15.7834","0.0009","90","","104.488","0.006","90","","2481.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 F3 O2 Se2 -","- C29 H23 F3 O2 Se2 -","- C116 H92 F12 O8 Se8 -","4","1","","Ma, Xian-Li; Wang, Qian; Feng, Xi-Yuan; Mo, Zu-Yu; Pan, Ying-Ming; Chen, Yan-Yan; Xin, Mao; Xu, Yan-Li","Metal-free visible-light induced cyclization/substitution cascade reaction of alkyne-tethered cyclohexadienones and diselenides: access to 5-hydroxy-3-selenyl-4a,8a-dihydro-2H-chromen-6(5H)-ones","Green Chemistry","2019","21","13","3547","","10.1039/C9GC00570F","","x-ray","0.71073","MoKα","","0.0538","0.0377","","","0.0759","0.0822","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232871","11.2346","0.0008","13.8269","0.0005","13.8545","0.0008","90","","112.472","0.007","90","","1988.7","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F3 O3 Se -","- C23 H19 F3 O3 Se -","- C92 H76 F12 O12 Se4 -","4","1","","Ma, Xian-Li; Wang, Qian; Feng, Xi-Yuan; Mo, Zu-Yu; Pan, Ying-Ming; Chen, Yan-Yan; Xin, Mao; Xu, Yan-Li","Metal-free visible-light induced cyclization/substitution cascade reaction of alkyne-tethered cyclohexadienones and diselenides: access to 5-hydroxy-3-selenyl-4a,8a-dihydro-2H-chromen-6(5H)-ones","Green Chemistry","2019","21","13","3547","","10.1039/C9GC00570F","","x-ray","0.71073","MoKα","","0.0596","0.0452","","","0.0993","0.1063","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232872","4.9159","0.0007","8.8894","0.0018","9.226","0.003","111.71","0.02","103.03","0.02","90.97","0.01","362.68","0.16","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 H3 F3 O -","- C2 H3 F3 O -","- C8 H12 F12 O4 -","4","2","","Barnett, S. A.; Allan, D. R.","The high-pressure and low-temperature structural behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2019","21","30","4501","","10.1039/C9CE00485H","","","0.4859","Synchrotron","","0.0736","0.0478","","","0.1267","0.143","","","","","","1.088","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232873","8.604","0.0007","10.0578","0.0008","9.1461","0.0008","90","","90","","90","","791.48","0.11","229","2","229","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 H3 F3 O -","- C2 H3 F3 O -","- C16 H24 F24 O8 -","8","2","","Barnett, S. A.; Allan, D. R.","The high-pressure and low-temperature structural behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2019","21","30","4501","","10.1039/C9CE00485H","","","0.4859","Synchrotron","","0.0845","0.0331","","","0.0868","0.1058","","","","","","0.875","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232876","7.1314","0.0002","10.4809","0.0002","16.7109","0.0004","80.5779","0.0012","86.4941","0.0012","79.2821","0.0012","1210.08","0.05","123","","123","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0927","0.047","","","0.1064","0.1246","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232877","6.7109","0.0004","9.4367","0.0012","16.2988","0.0017","77.132","0.009","84.534","0.007","81.962","0.009","994.17","0.18","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0857","0.0651","","","0.1406","0.1526","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232878","6.7888","0.0003","9.6045","0.0011","16.3703","0.0016","77.764","0.008","84.858","0.006","81.297","0.008","1029.3","0.17","297","","297","","","","","","","","","6","P -1","-P 1","2","","?1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0839","0.0639","","","0.1519","0.1627","","","","","","1.09","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232879","6.7561","0.0003","9.5308","0.0011","16.3385","0.0016","77.508","0.008","84.71","0.006","81.556","0.008","1014.02","0.16","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0847","0.0638","","","0.145","0.1569","","","","","","1.074","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232880","6.9301","0.0004","9.942","0.0007","16.514","0.003","79.013","0.011","85.441","0.01","80.339","0.005","1099.8","0.2","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0953","0.0591","","","0.1257","0.1487","","","","","","1.086","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232881","7.0133","0.0006","10.155","0.002","16.607","0.003","79.683","0.014","85.829","0.011","79.844","0.014","1144.4","0.3","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.1067","0.0657","","","0.1439","0.1662","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232882","6.6623","0.0003","9.3453","0.0011","16.2637","0.0015","76.764","0.008","84.331","0.006","82.375","0.008","974.52","0.16","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0893","0.0671","","","0.1714","0.1864","","","","","","1.09","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232883","7.958","0.003","9.582","0.003","11.27","0.004","92.09","0.03","90.88","0.03","114.23","0.03","782.7","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C14 H44 Cu N4 O23 P4 -","- C14 H44 Cu N4 O23 P4 -","- C14 H44 Cu N4 O23 P4 -","1","1","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Zierkiewicz, Wiktor; Matczak-Jon, Ewa","Deciphering preferred solid-state conformations in nitrogen-containing bisphosphonates and their coordination compounds. A case study of discrete Cu(ii) complexes based on Cα-substituted analogues of zoledronic acid: crystal structures and solid-state characterization","CrystEngComm","2019","21","29","4340","","10.1039/C9CE00614A","","","0.71073","MoKα","","0.0535","0.0518","","","0.1327","0.1358","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232884","6.874","0.002","10.174","0.004","9.995","0.003","98.32","0.03","94.13","0.03","90.84","0.03","689.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 Cu N4 O16 P4 -","- C18 H34 Cu N4 O16 P4 -","- C18 H34 Cu N4 O16 P4 -","1","0.5","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Zierkiewicz, Wiktor; Matczak-Jon, Ewa","Deciphering preferred solid-state conformations in nitrogen-containing bisphosphonates and their coordination compounds. A case study of discrete Cu(ii) complexes based on Cα-substituted analogues of zoledronic acid: crystal structures and solid-state characterization","CrystEngComm","2019","21","29","4340","","10.1039/C9CE00614A","","","0.71073","MoKα","","0.0599","0.0457","","","0.1029","0.1117","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232885","6.862","0.004","9.864","0.005","9.939","0.005","95.54","0.03","93.89","0.03","92.28","0.03","667.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H30 Cu N4 O16 P4 -","- C16 H30 Cu N4 O16 P4 -","- C16 H30 Cu N4 O16 P4 -","1","0.5","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Zierkiewicz, Wiktor; Matczak-Jon, Ewa","Deciphering preferred solid-state conformations in nitrogen-containing bisphosphonates and their coordination compounds. A case study of discrete Cu(ii) complexes based on Cα-substituted analogues of zoledronic acid: crystal structures and solid-state characterization","CrystEngComm","2019","21","29","4340","","10.1039/C9CE00614A","","","0.71073","MoKα","","0.0516","0.0408","","","0.0984","0.106","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232892","4.7678","0.0005","11.4567","0.0014","15.8287","0.0017","96.008","0.004","95.799","0.004","91.296","0.004","854.98","0.17","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Mn N4 O9 -","- C14 H15 Mn N4 O9 -","- C28 H30 Mn2 N8 O18 -","2","1","","Li, Zhong-Yi; Wang, Wen-Jing; Wu, Dong-Qing; Zhang, Chi; Zhang, Fu-Li; Zhai, Bin; Zhang, Jian-Jun","Two 1D carboxylate-bridged magnets displaying solvent-dependent canted antiferromagnetic ordering","CrystEngComm","2019","21","27","4098","","10.1039/C9CE00640K","","","0.71073","MoKα","","0.0539","0.0388","","","0.0845","0.0899","","","","","","1.062","","","","has coordinates","223502","2020-10-21","18:00:00","" "7232893","4.7674","0.0005","15.2901","0.0014","15.8525","0.0015","82.467","0.004","89.755","0.004","87.662","0.004","1144.63","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Mn N5 O9.5 -","- C17 H21 Mn N5 O9.5 -","- C34 H42 Mn2 N10 O19 -","2","1","","Li, Zhong-Yi; Wang, Wen-Jing; Wu, Dong-Qing; Zhang, Chi; Zhang, Fu-Li; Zhai, Bin; Zhang, Jian-Jun","Two 1D carboxylate-bridged magnets displaying solvent-dependent canted antiferromagnetic ordering","CrystEngComm","2019","21","27","4098","","10.1039/C9CE00640K","","","0.71073","MoKα","","0.0507","0.04","","","0.1092","0.1139","","","","","","1.09","","","","has coordinates,has disorder","223502","2020-10-21","18:00:00","" "7232894","5.6594","0.0005","7.2685","0.0007","17.267","0.002","90","","94.508","0.009","90","","708.09","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Sasmal, Supriya; Maji, Krishnendu; Díaz Díaz, David; Haldar, Debasish","Highly selective metallogel from 4-biphenylcarboxy capped diphenylalanine and FeCl3","CrystEngComm","2019","21","29","4289","","10.1039/C9CE00695H","","x-ray","0.71073","MoKα","","0.0614","0.0518","","","0.1148","0.1213","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232895","5.0318","0.0003","8.6573","0.0005","43.325","0.002","90","","90","","90","","1887.32","0.18","123","30","123","30","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C92 H84 N4 O16 -","4","1","","Sasmal, Supriya; Maji, Krishnendu; Díaz Díaz, David; Haldar, Debasish","Highly selective metallogel from 4-biphenylcarboxy capped diphenylalanine and FeCl3","CrystEngComm","2019","21","29","4289","","10.1039/C9CE00695H","","x-ray","1.54184","CuKα","","0.0788","0.0732","","","0.179","0.1869","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232896","13.7","0.004","5.4468","0.0008","7.8567","0.0011","90","","98.401","0.018","90","","580","0.2","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","methoxybenzene","","- C7 H8 O -","- C7 H8 O -","- C28 H32 O4 -","4","1","","Smith, Ellie Louvain; Ridout, Joe; Sellars, Jonathan David; Probert, Michael Richard","A structural exploration of anisole accessed through extreme crystallisation conditions","CrystEngComm","2019","21","30","4422","","10.1039/C9CE00870E","","x-ray","0.56086","AgKα","","0.0616","0.0362","","","0.073","0.0898","","","","","","1.133","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232897","13.6132","0.0007","14.5917","0.0008","6.2617","0.0003","90","","95.935","0.002","90","","1237.16","0.11","224","","224","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","methoxybenzene","","- C7 H8 O -","- C7 H8 O -","- C56 H64 O8 -","8","2","","Smith, Ellie Louvain; Ridout, Joe; Sellars, Jonathan David; Probert, Michael Richard","A structural exploration of anisole accessed through extreme crystallisation conditions","CrystEngComm","2019","21","30","4422","","10.1039/C9CE00870E","","x-ray","1.54178","CuKα","","0.0544","0.0511","","","0.1523","0.1557","","","","","","1.103","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232898","5.3219","0.0003","29.6921","0.0019","5.6591","0.0004","90","","99.122","0.004","90","","882.93","0.1","298","2","298","2","","","","","","","synthesis","7","I 1 m 1","I -2y","8","AgLNa*0.5H2O","","","- C20 H28 Ag4 N8 Na4 O18 S4 -","- C5 H6 Ag N2 Na O3.907 S -","- C20 H24 Ag4 N8 Na4 O15.628 S4 -","4","1","","Brenna, Stefano; Ardizzoia, G. Attilio; Colombo, Valentina; Sironi, Angelo","A silver(i) coordination polymer with sodium 3,5-dimethyl-4-sulfonate pyrazolate: a nice example of PXRD structure solution and time-driven crystallization","CrystEngComm","2019","21","31","4586","","10.1039/C9CE00761J","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","223674","2020-10-21","18:00:00","" "7232899","12.2512","0.001","18.0542","0.0015","20.8644","0.0015","90","","96.61","0.007","90","","4584.2","0.6","102","2","102","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H42 Cu F3 N4 O4 P2 S -","- C52 H42 Cu F3 N4 O4 P2 S -","- C208 H168 Cu4 F12 N16 O16 P8 S4 -","4","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine–Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.0945","0.083","","","0.1711","0.1774","","","","","","1.051","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25","" "7232900","10.139","0.0011","10.9355","0.0012","19.6442","0.0018","88.137","0.002","75.352","0.001","83.427","0.002","2093.4","0.4","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H38 Cu F3 N4 O4 P2 S -","- C43 H38 Cu F3 N4 O4 P2 S -","- C86 H76 Cu2 F6 N8 O8 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine–Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.0855","0.05","","","0.1113","0.1218","","","","","","1.038","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25","" "7232901","13.5532","0.0012","13.5532","0.0012","46.356","0.003","90","","90","","90","","8515.1","1.2","298","2","298","2","","","","","","","","8","P 41","P 4w","76","","","","- C88 H64 Cu2 F6 N8 O6 P4 S2 -","- C88 H64 Cu2 F6 N8 O6 P4 S2 -","- C352 H256 Cu8 F24 N32 O24 P16 S8 -","4","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1969","0.0904","","","0.1551","0.1731","","","","","","1.081","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00","" "7232902","13.0082","0.0012","23.906","0.002","26.452","0.003","90","","101.248","0.003","90","","8067.9","1.4","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C80 H60 Cu2 F6 N8 O6 P4 S2 -","- C80 H60 Cu2 F6 N8 O6 P4 S2 -","- C320 H240 Cu8 F24 N32 O24 P16 S8 -","4","0.5","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine–Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1116","0.0569","","","0.1328","0.1477","","","","","","1.097","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25","" "7232903","10.7793","0.0005","14.5171","0.0005","17.3228","0.0006","74.306","0.003","79.899","0.003","70.639","0.004","2451.12","0.18","103.7","","103.7","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H44 Cu F3 N4 O4 P2 S -","- C56 H44 Cu F3 N4 O4 P2 S -","- C112 H88 Cu2 F6 N8 O8 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine–Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.7107","MoKα","","0.0392","0.0328","","","0.072","0.0752","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232904","35.509","0.007","14.305","0.003","17.104","0.003","90","","100.7","0.03","90","","8537","3","104","2","104","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C47 H40 Cu F3 N4 O4 P2 S -","- C47 H40 Cu F3 N4 O4 P2 S -","- C376 H320 Cu8 F24 N32 O32 P16 S8 -","8","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1491","0.1324","","","0.3116","0.3231","","","","","","1.09","","","","has coordinates","223466","2020-10-21","18:00:00","" "7232905","10.2578","0.0003","12.8635","0.0004","19.4889","0.0005","73.352","0.002","83.084","0.002","87.362","0.003","2445.68","0.12","109.8","","109.8","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H40 Cu F3 N4 O4 P2 S -","- C54 H40 Cu F3 N4 O4 P2 S -","- C108 H80 Cu2 F6 N8 O8 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine–Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.7107","MoKα","","0.0735","0.0654","","","0.1453","0.1483","","","","","","1.241","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25","" "7232906","10.8914","0.0004","12.2427","0.0003","19.074","0.0007","94.343","0.002","92.474","0.003","106.148","0.003","2430.49","0.15","102.3","","102.3","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H42 Cu F3 N4 O5 P2 S -","- C56 H42 Cu F3 N4 O5 P2 S -","- C112 H84 Cu2 F6 N8 O10 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine–Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.7107","MoKα","","0.0515","0.0434","","","0.1069","0.1119","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232907","27.738","0.002","16.393","0.0014","27.278","0.003","90","","110.478","0.004","90","","11619.7","1.8","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H42 Cu F3 N4 O4 P2 S -","- C58 H42 Cu F3 N4 O4 P2 S -","- C464 H336 Cu8 F24 N32 O32 P16 S8 -","8","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1322","0.0811","","","0.228","0.2468","","","","","","1.095","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00","" "7232908","10.698","0.0007","12.5061","0.0005","19.6636","0.001","83.046","0.004","77.092","0.005","70.657","0.005","2416.4","0.2","104.2","","104.2","","","","","","","","","8","P -1","-P 1","2","","","","- C53 H36 Cu F3 N4 O6 P2 S -","- C53 H40 Cu F3 N4 O6 P2 S -","- C106 H80 Cu2 F6 N8 O12 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.0705","0.0594","","","0.1588","0.1681","","","","","","1.03","","","","has coordinates","223466","2020-10-21","18:00:00","" "7232909","20.4193","0.001","9.8047","0.0005","26.0036","0.0012","90","","105.963","0.002","90","","5005.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H55 Cl N9 -","- C62 H55 Cl N9 -","- C248 H220 Cl4 N36 -","4","1","","Meng, Fanxuan; Zhang, Xiaoshuai; Sarma, Tridib; Yuan, Ningning; Yin, Ying; Duan, Zhiming; Lei, Chuanhu; Qian, Qun; Ding, Lili; Zhang, Zhan","A poly(pyridine–pyrrole) foldamer that binds isolated water molecules","CrystEngComm","2019","21","26","3906","","10.1039/C9CE00582J","","","1.54178","CuKα","","0.0499","0.0417","","","0.1003","0.1084","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232910","15.372","0.003","21.287","0.004","21.861","0.004","96.32","0.03","103.33","0.03","95.65","0.03","6861","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C146 H166 Cl4 N22 O12 -","- C146 H159.654 Cl4 N22 O12 -","- C292 H319.308 Cl8 N44 O24 -","2","1","","Meng, Fanxuan; Zhang, Xiaoshuai; Sarma, Tridib; Yuan, Ningning; Yin, Ying; Duan, Zhiming; Lei, Chuanhu; Qian, Qun; Ding, Lili; Zhang, Zhan","A poly(pyridine‒pyrrole) foldamer that binds isolated water molecules","CrystEngComm","2019","21","26","3906","","10.1039/C9CE00582J","","","1.54184","CuKα","","0.098","0.0836","","","0.211","0.2249","","","","","","1.008","","","","has coordinates,has disorder","223573","2020-10-21","18:00:00","" "7232918","11.1568","0.0015","17.163","0.002","9.1319","0.0015","90","","90","","90","","1748.6","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H24 Cl2 N2 O3 -","- C16 H24 Cl2 N2 O3 -","- C64 H96 Cl8 N8 O12 -","4","1","","Wu, Han-Qing; Yang, Kai; Chen, Xiao-Yun; Arulkumar, Mani; Wang, Neng; Chen, Si-Hong; Wang, Zhao-Yang","A 3,4-dihalo-2(5H)-furanone initiated ring-opening reaction of DABCO in the absence of a metal catalyst and additive and its application in a one-pot two-step reaction","Green Chemistry","2019","21","14","3782","","10.1039/C9GC01740B","","x-ray","0.71073","MoKα","","0.1346","0.0613","","","0.0862","0.104","","","","","","0.892","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232919","7.2364","0.0008","13.684","0.002","15.767","0.002","71.515","0.013","83.596","0.01","81.899","0.011","1462.2","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Cl N6 O6 S -","- C30 H27 Cl N6 O6 S -","- C60 H54 Cl2 N12 O12 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam–clonixin drug–drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.1017","0.055","","","0.1097","0.1293","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232920","7.3032","0.0005","14.0521","0.0008","15.9432","0.0011","69.237","0.002","81.657","0.002","77.712","0.002","1490.51","0.17","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H30 Cl N5 O7 S -","- C31 H30 Cl N5 O7 S -","- C62 H60 Cl2 N10 O14 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam–clonixin drug–drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.0781","0.0506","","","0.1368","0.1504","","","","","","0.996","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232921","7.1077","0.0007","14.4856","0.0013","16.6126","0.0015","105.468","0.003","98.006","0.003","103.645","0.003","1564.2","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","CNX-PXC-EA","","","- C32 H32 Cl N5 O8 S -","- C32 H32 Cl N5 O8 S -","- C64 H64 Cl2 N10 O16 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam–clonixin drug–drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.0789","0.0547","","","0.124","0.1339","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232922","7.2799","0.0005","13.8946","0.0011","16.4922","0.0013","68.131","0.007","82.312","0.006","81.865","0.006","1526.6","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H25 Cl4 N5 O6 S -","- C29 H25 Cl4 N5 O6 S -","- C58 H50 Cl8 N10 O12 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam–clonixin drug–drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.1175","0.0579","","","0.1186","0.146","","","","","","0.967","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232923","7.2499","0.0002","13.7111","0.0006","15.8281","0.0007","71.255","0.004","85.172","0.003","83.669","0.003","1478.85","0.11","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 Cl3 N5 O6 S -","- C29 H26 Cl3 N5 O6 S -","- C58 H52 Cl6 N10 O12 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam–clonixin drug–drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.0625","0.0481","","","0.1344","0.1446","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232924","6.6108","0.0005","9.5147","0.0007","17.1651","0.001","96.283","0.005","95.365","0.005","103.343","0.006","1036.32","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 O7 -","- C25 H18 N2 O7 -","- C50 H36 N4 O14 -","2","1","","Mandal, Arkalekha; Rissanen, Kari; Mal, Prasenjit","Unravelling substitution effects on charge transfer characteristics in cocrystals of pyrene based donors and 3,5-dinitrobenzoic acid","CrystEngComm","2019","21","29","4401","","10.1039/C9CE00561G","","","0.71073","MoKα","","0.0995","0.0569","","","0.1309","0.1535","","","","","","0.978","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232925","10.1503","0.0003","11.2758","0.0003","35.8393","0.0011","90","","93.409","0.003","90","","4094.6","0.2","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H37 N7 O13 -","- C49 H37 N7 O13 -","- C196 H148 N28 O52 -","4","0.5","","Mandal, Arkalekha; Rissanen, Kari; Mal, Prasenjit","Unravelling substitution effects on charge transfer characteristics in cocrystals of pyrene based donors and 3,5-dinitrobenzoic acid","CrystEngComm","2019","21","29","4401","","10.1039/C9CE00561G","","","0.71073","MoKα","","0.0888","0.0567","","","0.1308","0.1532","","","","","","1.047","","","","has coordinates","223469","2020-10-21","18:00:00","" "7232926","8.6941","0.0002","10.2148","0.0003","17.2379","0.0004","99.498","0.002","90.396","0.002","97.114","0.002","1497.68","0.07","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H22 Br2 N2 O6 -","- C39 H22 Br2 N2 O6 -","- C78 H44 Br4 N4 O12 -","2","1","","Mandal, Arkalekha; Rissanen, Kari; Mal, Prasenjit","Unravelling substitution effects on charge transfer characteristics in cocrystals of pyrene based donors and 3,5-dinitrobenzoic acid","CrystEngComm","2019","21","29","4401","","10.1039/C9CE00561G","","","0.71073","MoKα","","0.0726","0.064","","","0.1625","0.1691","","","","","","1.12","","","","has coordinates,has disorder","223469","2020-10-21","18:00:00","" "7232930","9.6733","0.0005","10.7702","0.0005","12.5821","0.0006","67.115","0.001","68.089","0.001","86.267","0.001","1115.51","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 N2 O9 Zn -","- C26 H16 N2 O9 Zn -","- C52 H32 N4 O18 Zn2 -","2","1","","Wang, Li-Na; Zhang, Yan-Hong; Jiang, Shuang; Liu, Zi-Zhong","Three coordination polymers based on 3-(3′,5′-dicarboxylphenoxy)phthalic acid and auxiliary N-donor ligands: syntheses, structures, and highly selective sensing for nitro explosives and Fe3+ ions","CrystEngComm","2019","21","31","4557","","10.1039/C9CE00542K","","","0.71073","MoKα","","0.0282","0.0263","","","0.0697","0.0711","","","","","","1.033","","","","has coordinates","223673","2020-10-21","18:00:00","" "7232931","26.409","0.004","9.7523","0.0012","20.678","0.003","90","","105.007","0.005","90","","5144","1.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H17 Cd N2 O10 -","- C28 H17 Cd N2 O10 -","- C224 H136 Cd8 N16 O80 -","8","1","","Wang, Li-Na; Zhang, Yan-Hong; Jiang, Shuang; Liu, Zi-Zhong","Three coordination polymers based on 3-(3′,5′-dicarboxylphenoxy)phthalic acid and auxiliary N-donor ligands: syntheses, structures, and highly selective sensing for nitro explosives and Fe3+ ions","CrystEngComm","2019","21","31","4557","","10.1039/C9CE00542K","","","0.71073","MoKα","","0.0418","0.0287","","","0.0586","0.0629","","","","","","1.062","","","","has coordinates","223673","2020-10-21","18:00:00","" "7232932","30.4083","0.0018","11.8333","0.0007","15.7632","0.0009","90","","120.286","0.002","90","","4897.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cd N2 O9 -","- C26 H16 Cd N2 O9 -","- C208 H128 Cd8 N16 O72 -","8","1","","Wang, Li-Na; Zhang, Yan-Hong; Jiang, Shuang; Liu, Zi-Zhong","Three coordination polymers based on 3-(3′,5′-dicarboxylphenoxy)phthalic acid and auxiliary N-donor ligands: syntheses, structures, and highly selective sensing for nitro explosives and Fe3+ ions","CrystEngComm","2019","21","31","4557","","10.1039/C9CE00542K","","","0.71073","MoKα","","0.0303","0.0252","","","0.063","0.066","","","","","","1.092","","","","has coordinates","223673","2020-10-21","18:00:00","" "7232934","14.47","0.002","14.47","0.002","28.017","0.006","90","","90","","90","","5866.2","1.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C33 H16 Mn2 N17 O6 W -","- C33 H16 Mn2 N17 O6 W -","- C132 H64 Mn8 N68 O24 W4 -","4","0.25","","Qian, Jun; Yoshikawa, Hirofumi; Humphrey, Mark G.; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi","In situ formed [M(CN)9] (M = W, Mo) as a building block for the construction of two nona-cyanometalate-bridged heterometallic coordination polymers","CrystEngComm","2019","21","29","4363","","10.1039/C9CE00579J","","","0.71073","MoKα","","0.0551","0.0517","","","0.1438","0.1459","","","","","","1.245","","","","has coordinates","223472","2020-10-21","18:00:00","" "7232935","14.45","0.002","14.45","0.002","28.044","0.006","90","","90","","90","","5855.7","1.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C45 H44 Mn2 Mo N21 O10 -","- C45 H44 Mn2 Mo N21 O10 -","- C180 H176 Mn8 Mo4 N84 O40 -","4","0.25","","Qian, Jun; Yoshikawa, Hirofumi; Humphrey, Mark G.; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi","In situ formed [M(CN)9] (M = W, Mo) as a building block for the construction of two nona-cyanometalate-bridged heterometallic coordination polymers","CrystEngComm","2019","21","29","4363","","10.1039/C9CE00579J","","","0.71073","MoKα","","0.0681","0.0644","","","0.184","0.1879","","","","","","1.098","","","","has coordinates,has disorder","223472","2020-10-21","18:00:00","" "7232936","8.7972","0.0004","9.6008","0.0005","24.5152","0.0017","90","","99.503","0.005","90","","2042.1","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","EPTD","","- C48 H48 N2 O4 S2 -","- C48 H48 N2 O4 S2 -","- C96 H96 N4 O8 S4 -","2","0.5","","Zhang, Tong; Zhang, Chunyu; Li, Xiaoting; Liang, Meng; Bian, Weixiao; Zhang, Yan; Wang, Kunpeng; Xue, Pengchong","Fluorescence response of cruciform D–π–A–π–D phenothiazine derivatives to mechanical force","CrystEngComm","2019","21","28","4192","","10.1039/C9CE00568D","","x-ray","0.71073","MoKα","","0.0664","0.0466","","","0.1024","0.1156","","","","","","1.031","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25","" "7232937","8.611","0.0007","7.4213","0.0005","27.8297","0.0019","90","","91.341","0.006","90","","1778","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 N2 O4 S2 -","- C44 H40 N2 O4 S2 -","- C88 H80 N4 O8 S4 -","2","0.5","","Zhang, Tong; Zhang, Chunyu; Li, Xiaoting; Liang, Meng; Bian, Weixiao; Zhang, Yan; Wang, Kunpeng; Xue, Pengchong","Fluorescence response of cruciform D–π–A–π–D phenothiazine derivatives to mechanical force","CrystEngComm","2019","21","28","4192","","10.1039/C9CE00568D","","x-ray","0.71073","MoKα","","0.0567","0.0416","","","0.0831","0.0931","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232938","11.2305","0.0006","11.8596","0.0006","14.125","0.0007","102.649","0.004","93.485","0.004","99.072","0.005","1803.79","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","EPTD-Y","","- C44 H40 N2 O4 S2 -","- C44 H40 N2 O4 S2 -","- C88 H80 N4 O8 S4 -","2","1","","Zhang, Tong; Zhang, Chunyu; Li, Xiaoting; Liang, Meng; Bian, Weixiao; Zhang, Yan; Wang, Kunpeng; Xue, Pengchong","Fluorescence response of cruciform D–π–A–π–D phenothiazine derivatives to mechanical force","CrystEngComm","2019","21","28","4192","","10.1039/C9CE00568D","","x-ray","0.71073","MoKα","","0.0701","0.0502","","","0.0984","0.1093","","","","","","1.039","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25","" "7232939","10.4791","0.0005","13.3723","0.0007","25.4654","0.0013","90","","91.115","0.002","90","","3567.8","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine: toluene (1:1)","","","- C47 H40 N2 S2 -","- C47 H40 N2 S2 -","- C188 H160 N8 S8 -","4","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0543","0.0379","","","0.0905","0.1003","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232940","10.3099","0.0003","13.3066","0.0004","25.6537","0.0008","90","","91.686","0.001","90","","3517.9","0.18","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine: aniline (1:1)","","","- C46 H37 N3 S2 -","- C46 H37 N3 S2 -","- C184 H148 N12 S8 -","4","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0634","0.0444","","","0.106","0.1166","","","","","","1.024","","","","has coordinates,has disorder","223464","2020-10-21","18:00:00","" "7232941","8.7675","0.0007","8.7903","0.0007","13.7121","0.0011","72.461","0.004","76.622","0.004","67.418","0.004","922.33","0.13","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine: N,N-dimethylaniline (1:1)","","","- C48 H43 N3 O2 -","- C48 H43 N3 O2 -","- C48 H43 N3 O2 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0852","0.0513","","","0.1106","0.1279","","","","","","1.044","","","","has coordinates,has disorder","223464","2020-10-21","18:00:00","" "7232942","9.1545","0.0005","14.6714","0.0007","15.1254","0.0008","109.272","0.002","92.888","0.002","97.644","0.002","1890.93","0.17","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine: cumene (1:1)","","","- C49 H44 N2 O2 -","- C49 H44 N2 O2 -","- C98 H88 N4 O4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0868","0.0667","","","0.1855","0.2038","","","","","","1.042","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25","" "7232943","10.5138","0.0007","13.5904","0.0009","13.7298","0.0009","84.174","0.003","86.227","0.003","70.04","0.003","1833.4","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine: N-methylaniline (1:1)","","","- C47 H41 N3 S2 -","- C47 H41 N3 S2 -","- C94 H82 N6 S4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0476","0.0364","","","0.0897","0.0972","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232944","8.9265","0.0004","9.1183","0.0004","12.5759","0.0005","92.594","0.002","107.264","0.002","111.066","0.002","898.81","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine: N-methylaniline: water","","","- C47 H41 N3 O2.41 -","- C47 H41 N3 O2.406 -","- C47 H41 N3 O2.406 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0455","0.0404","","","0.1084","0.114","","","","","","1.033","","","","has coordinates,has disorder","223464","2020-10-21","18:00:00","" "7232945","5.1874","0.0004","34.715","0.003","18.1886","0.0015","90","","90.275","0.002","90","","3275.4","0.5","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 N8 Ni2 O13 -","- C24 H38 N8 Ni2 O13 -","- C96 H152 N32 Ni8 O52 -","4","1","","Ghosh, Tanmoy Kumar; Mahapatra, Prithwish; Jana, Subrata; Ghosh, Ashutosh","Variation of nuclearity in NiII complexes of a Schiff base ligand: crystal structures and magnetic studies","CrystEngComm","2019","21","31","4620","","10.1039/C9CE00574A","","","0.71073","MoKα","","0.1168","0.0806","","","0.1946","0.211","","","","","","1.142","","","","has coordinates","223675","2020-10-21","18:00:00","" "7232946","20.212","0.011","22.656","0.011","16.048","0.008","90","","121.342","0.01","90","","6276","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H64 N8 Ni6 O25 -","- C56 H64 N8 Ni6 O25 -","- C224 H256 N32 Ni24 O100 -","4","0.5","","Ghosh, Tanmoy Kumar; Mahapatra, Prithwish; Jana, Subrata; Ghosh, Ashutosh","Variation of nuclearity in NiII complexes of a Schiff base ligand: crystal structures and magnetic studies","CrystEngComm","2019","21","31","4620","","10.1039/C9CE00574A","","","0.71073","MoKα","","0.1349","0.0617","","","0.1596","0.2121","","","","","","1.008","","","","has coordinates","223675","2020-10-21","18:00:00","" "7232947","13.838","0.004","29.26","0.009","14.867","0.004","90","","116.548","0.004","90","","5385","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 N8 Ni4 O17 -","- C43 H52 N8 Ni4 O17 -","- C172 H208 N32 Ni16 O68 -","4","1","","Ghosh, Tanmoy Kumar; Mahapatra, Prithwish; Jana, Subrata; Ghosh, Ashutosh","Variation of nuclearity in NiII complexes of a Schiff base ligand: crystal structures and magnetic studies","CrystEngComm","2019","21","31","4620","","10.1039/C9CE00574A","","","0.71073","MoKα","","0.1299","0.0924","","","0.2634","0.2922","","","","","","1.087","","","","has coordinates,has disorder","223675","2020-10-21","18:00:00","" "7232948","22.233","0.004","7.3217","0.0014","23.045","0.004","90","","101.296","0.004","90","","3678.7","1.2","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N8 Ni2 O13 -","- C32 H44 N8 Ni2 O13 -","- C128 H176 N32 Ni8 O52 -","4","1","","Ghosh, Tanmoy Kumar; Mahapatra, Prithwish; Jana, Subrata; Ghosh, Ashutosh","Variation of nuclearity in NiII complexes of a Schiff base ligand: crystal structures and magnetic studies","CrystEngComm","2019","21","31","4620","","10.1039/C9CE00574A","","","0.71073","MoKα","","0.0448","0.038","","","0.0947","0.099","","","","","","1.115","","","","has coordinates","223675","2020-10-21","18:00:00","" "7232949","11.4902","0.0002","9.6989","0.0002","15.4453","0.0003","90","","91.189","0.001","90","","1720.89","0.06","170","2","169.98","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","","Kong, Xianqiang; Liu, Yulong; Lin, Long; Chen, Qianjin; Xu, Bo","Electrochemical synthesis of enaminones via a decarboxylative coupling reaction","Green Chemistry","2019","21","14","3796","","10.1039/C9GC01098J","","","1.34139","GaKα","","0.0463","0.0392","","","0.0916","0.0964","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232950","12.0153","0.001","12.5845","0.001","15.2028","0.0009","77.758","0.006","85.3","0.006","72.021","0.007","2136.5","0.3","293.75","0.1","293.75","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N3 O4 S2 -","- C22 H21 N3 O4 S2 -","- C88 H84 N12 O16 S8 -","4","2","","Zhang, Yu-Zhen; Mo, Zu-Yu; Wang, Heng-Shan; Wen, Xiao-An; Tang, Hai-Tao; Pan, Ying-Ming","Electrochemically enabled chemoselective sulfonylation and hydrazination of indoles","Green Chemistry","2019","21","14","3807","","10.1039/C9GC01201J","","x-ray","1.54184","CuKα","","0.087","0.074","","","0.1433","0.1891","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232953","8.5321","0.001","9.2554","0.001","9.75","0.0008","104.633","0.008","91.429","0.008","102.163","0.009","725.75","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 F4 N O4 -","- C13 H15 F4 N O4 -","- C26 H30 F8 N2 O8 -","2","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0888","0.0647","","","0.1651","0.1867","","","","","","1.049","","","","has coordinates","223471","2020-10-21","18:00:00","" "7232954","9.666","0.0007","10.5577","0.0008","13.3682","0.0011","90","","97.575","0.007","90","","1352.33","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H7 D2 F4 N O4 -","- C14 H7 D2 F4 N O4 -","- C56 H28 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0875","0.0542","","","0.1249","0.1468","","","","","","1.046","","","","has coordinates","223471","2020-10-21","18:00:00","" "7232955","7.2862","0.0008","9.7081","0.0007","19.2903","0.0016","90","","90","","90","","1364.5","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H7 D2 F4 N O4 -","- C14 H7 D2 F4 N O4 -","- C56 H28 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0597","0.044","","","0.0888","0.0975","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232956","8.534","0.002","9.25","0.002","9.752","0.002","104.72","0.02","90.99","0.02","102.03","0.02","726.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 D2 F4 N O4 -","- C13 H13 D2 F4 N O4 -","- C26 H26 D4 F8 N2 O8 -","2","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.1399","0.0886","","","0.2482","0.3181","","","","","","1.025","","","","has coordinates","223471","2020-10-21","18:00:00","" "7232957","8.4644","0.0005","9.7485","0.0015","12.6644","0.0013","69.875","0.013","74.399","0.007","79.718","0.009","940.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 F4 N O4 -","- C17 H23 F4 N O4 -","- C34 H46 F8 N2 O8 -","2","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0994","0.0571","","","0.1247","0.1586","","","","","","1.038","","","","has coordinates","223471","2020-10-21","18:00:00","" "7232958","9.6384","0.0015","7.9971","0.0014","15.099","0.003","90","","99.642","0.017","90","","1147.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 F4 N O4 -","- C10 H9 F4 N O4 -","- C40 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0825","0.0548","","","0.1335","0.1602","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232959","7.2513","0.0006","9.6741","0.0008","18.5924","0.0014","90","","90","","90","","1304.25","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H5 D2 F4 N O4 -","- C13 H5 D2 F4 N O4 -","- C52 H20 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0723","0.0439","","","0.0928","0.1035","","","","","","0.953","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232960","9.6564","0.0006","10.5717","0.0008","13.3865","0.0009","90","","97.686","0.006","90","","1354.28","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O4 -","- C14 H9 F4 N O4 -","- C56 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0773","0.0524","","","0.122","0.1404","","","","","","1.043","","","","has coordinates","223471","2020-10-21","18:00:00","" "7232961","9.6821","0.0009","8.0228","0.0009","15.0539","0.0014","90","","99.715","0.009","90","","1152.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 D3 F4 N O4 -","- C10 H6 D3 F4 N O4 -","- C40 H24 D12 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0717","0.0534","","","0.1357","0.1509","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232962","7.2625","0.0008","9.694","0.001","18.657","0.002","90","","90","","90","","1313.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N O4 -","- C13 H7 F4 N O4 -","- C52 H28 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0793","0.0538","","","0.118","0.1429","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232963","9.7554","0.0005","14.2346","0.0008","9.717","0.0005","90","","99.127","0.004","90","","1332.26","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O4 -","- C14 H9 F4 N O4 -","- C56 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.073","0.0493","","","0.1135","0.1313","","","","","","0.994","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232964","8.4573","0.0012","9.7338","0.0014","12.66","0.002","69.848","0.014","74.392","0.013","79.621","0.012","937.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 D2 F4 N O4 -","- C17 H21 D2 F4 N O4 -","- C34 H42 D4 F8 N2 O8 -","2","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.087","0.0532","","","0.1177","0.1387","","","","","","1.022","","","","has coordinates","223471","2020-10-21","18:00:00","" "7232965","9.5943","0.0008","20.769","0.002","6.8719","0.0006","90","","94.423","0.008","90","","1365.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F4 N O4 -","- C12 H13 F4 N O4 -","- C48 H52 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0958","0.0632","","","0.1394","0.1575","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232966","7.2846","0.0005","9.708","0.0006","19.345","0.001","90","","90","","90","","1368.06","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 F4 N O4 -","- C14 H9 F4 N O4 -","- C56 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0622","0.0428","","","0.087","0.0981","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232967","9.6878","0.0005","7.2046","0.0005","17.3573","0.0009","90","","90","","90","","1211.48","0.12","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H6 F4 N2 O4 -","- C11 H6 F4 N2 O4 -","- C44 H24 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0564","0.0429","","","0.0901","0.0999","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232968","9.6026","0.0009","17.6586","0.0015","9.0164","0.001","90","","110.17","0.011","90","","1435.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F4 N O5 -","- C12 H13 F4 N O5 -","- C48 H52 F16 N4 O20 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0885","0.0532","","","0.1124","0.1312","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232969","9.5797","0.0008","23.308","0.002","6.8151","0.0006","90","","94.216","0.008","90","","1517.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 D4 F4 N O4 -","- C13 H11 D4 F4 N O4 -","- C52 H44 D16 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0945","0.0614","","","0.1337","0.1522","","","","","","1.035","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25","" "7232970","9.5893","0.0009","23.36","0.003","6.8268","0.0007","90","","94.249","0.008","90","","1525","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 F4 N O4 -","- C13 H15 F4 N O4 -","- C52 H60 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.1014","0.0606","","","0.1311","0.1559","","","","","","1.03","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25","" "7232971","9.6156","0.0018","17.699","0.003","9.019","0.002","90","","110.26","0.02","90","","1439.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 D4 F4 N O5 -","- C12 H9 D4 F4 N O5 -","- C48 H36 D16 F16 N4 O20 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.105","0.0544","","","0.1036","0.1299","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232972","7.1303","0.0006","17.4758","0.0013","9.7449","0.0007","90","","102.38","0.008","90","","1186.05","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H3 D3 F4 N2 O4 -","- C11 H3 D3 F4 N2 O4 -","- C44 H12 D12 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0776","0.0545","","","0.1188","0.1366","","","","","","1.062","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232973","9.7549","0.0006","14.2234","0.0008","9.7356","0.0005","90","","99.178","0.005","90","","1333.5","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H7 D2 F4 N O4 -","- C14 H7 D2 F4 N O4 -","- C56 H28 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0634","0.0456","","","0.1073","0.1169","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232974","9.727","0.0005","7.2158","0.0005","17.3952","0.0011","90","","90","","90","","1220.94","0.13","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H3 D3 F4 N2 O4 -","- C11 H3 D3 F4 N2 O4 -","- C44 H12 D12 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0482","0.0379","","","0.0808","0.0883","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232975","9.5827","0.0015","20.741","0.003","6.8689","0.001","90","","94.476","0.013","90","","1361.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 D4 F4 N O4 -","- C12 H9 D4 F4 N O4 -","- C48 H36 D16 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.1276","0.0747","","","0.1737","0.2123","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232976","7.1345","0.0005","17.4678","0.0013","9.7338","0.0007","90","","102.264","0.007","90","","1185.38","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 F4 N2 O4 -","- C11 H6 F4 N2 O4 -","- C44 H24 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0788","0.0523","","","0.1183","0.1392","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232977","10.66526","0.00025","20.39976","0.00048","6.61154","0.00017","90","","90","","90","","1438.46","0.06","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Alpha-dichlorido-di(3-cyanopyridine)zinc","Alpha-dichlorido-di(3-cyanopyridine)zinc","","- C12 H8 Cl2 N4 Zn -","- C12 H8 Cl2 N4 Zn -","- C48 H32 Cl8 N16 Zn4 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","2.168","1.601","","","","","","","has coordinates","287932","2023-12-01","13:55:25","" "7232978","3.64403","0.00018","13.81346","0.00076","13.1192","0.0011","90","","98.5316","0.0067","90","","653.07","0.07","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Catena-bis-chloro-di(3-cyanopyridine)ferrat(II)","catena-bis-chloro-di(3-cyanopyridine)ferrat(II)","","- C12 H8 Cl2 Fe N4 -","- C12 H8 Cl2 Fe N4 -","- C24 H16 Cl4 Fe2 N8 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.6997","1.525","","","","","","","has coordinates","287932","2023-12-01","13:55:25","" "7232979","3.702978","0.000044","15.43091","0.00037","11.57802","0.00031","90","","91.4375","0.0016","90","","661.36","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Catena-bis-chloro-di(3-cyanopyridine)manganat(II)","catena-bis-chloro-di(3-cyanopyridine)manganat(II)","","- C12 H8 Cl2 Mn N4 -","- C12 H8 Cl2 Mn N4 -","- C24 H16 Cl4 Mn2 N8 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01167","1.156","","","","","","","has coordinates","287932","2023-12-01","13:55:25","" "7232980","16.08629","0.00049","3.58737","0.000097","14.19096","0.00054","90","","90","","90","","818.92","0.05","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Catena-bis-chloro-(3-cyanopyridine)cobaltat(II)","catena-bis-chloro-(3-cyanopyridine)cobaltat(II)","","- C6 H4 Cl2 Co N2 -","- C6 H4 Cl2 Co N2 -","- C24 H16 Cl8 Co4 N8 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.6026","1.21","","","","","","","has coordinates","287932","2023-12-01","13:55:25","" "7232981","3.61682","0.00017","27.5043","0.0016","13.2081","0.0012","90","","97.492","0.015","90","","1302.7","0.16","298","","298","","","","","","","","","5","C 1 c 1","C -2yc","9","Catena-bis-chloro-di(3-cyanopyridine)cobaltat(II)","catena-bis-chloro-di(3-cyanopyridine)cobaltat(II)","","- C12 H8 Cl2 Co N4 -","- C12 H8 Cl2 Co N4 -","- C48 H32 Cl8 Co4 N16 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.2752","1.288","","","","","","","has coordinates","287932","2023-12-01","13:55:25","" "7232982","3.75604","0.0001","13.46533","0.00029","13.04425","0.00051","90","","97.3466","0.0032","90","","654.31","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-dichloro-di(3-cyanopyridine)cuprat(II)","catena-dichloro-di(3-cyanopyridine)cuprat(II)","","- C12 H8 Cl2 Cu N4 -","- C12 H8 Cl2 Cu N4 -","- C24 H16 Cl4 Cu2 N8 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.9634","1.208","","","","","","","has coordinates","287932","2023-12-01","13:55:25","" "7232983","3.775299","0.000081","13.9311","0.00036","15.68492","0.0003","90","","96.1139","0.0029","90","","820.24","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-dichloro-(3-cyanopyridine)cuprat(II)","catena-dichloro-(3-cyanopyridine)cuprat(II)","","- C6 H4 Cl2 Cu N2 -","- C6 H4 Cl2 Cu N2 -","- C24 H16 Cl8 Cu4 N8 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.0574","1.466","","","","","","","has coordinates","287932","2023-12-01","13:55:25","" "7232984","16.53381","0.00094","3.69328","0.00012","14.45964","0.00092","90","","90","","90","","882.96","0.08","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Catena-bis-chloro-(3-cyanopyridine)manganat(II)","catena-bis-chloro-(3-cyanopyridine)manganat(II)","","- C6 H4 Cl2 Mn N2 -","- C6 H4 Cl2 Mn N2 -","- C24 H16 Cl8 Mn4 N8 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.3538","1.266","","","","","","","has coordinates","287932","2023-12-01","13:55:25","" "7232985","3.5837","0.000033","27.28886","0.00029","13.18148","0.00026","90","","97.7149","0.0035","90","","1277.42","0.03","298","","298","","","","","","","","","5","C 1 c 1","C -2yc","9","Catena-bis-chloro-di(3-cyanopyridine)nickelat(II)","catena-bis-chloro-di(3-cyanopyridine)nickelat(II)","","- C12 H8 Cl2 N4 Ni -","- C12 H8 Cl2 N4 Ni -","- C48 H32 Cl8 N16 Ni4 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.9061","1.288","","","","","","","has coordinates","287932","2023-12-01","13:55:25","" "7232986","11.66192","0.00015","15.07309","0.00018","8.057182","0.000098","90","","91.0111","0.00086","90","","1416.08","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Beta-dichlorido-di(3-cyanopyridine)zinc","Beta-dichlorido-di(3-cyanopyridine)zinc","","- C12 H8 Cl2 N4 Zn -","- C12 H8 Cl2 N4 Zn -","- C48 H32 Cl8 N16 Zn4 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00868","1.323","","","","","","","has coordinates","287932","2023-12-01","13:55:25","" "7232987","15.90267","0.00041","3.53278","0.000061","14.08069","0.00037","90","","90","","90","","791.06","0.03","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Catena-bis-chloro-(3-cyanopyridine)nickelat(II)","catena-bis-chloro-(3-cyanopyridine)nickelat(II)","","- C6 H4 Cl2 N2 Ni -","- C6 H4 Cl2 N2 Ni -","- C24 H16 Cl8 N8 Ni4 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.8494","1.772","","","","","","","has coordinates","287932","2023-12-01","13:55:25","" "7232995","15.4104","0.0004","18.6531","0.0005","15.4547","0.0004","90","","96.747","0.001","90","","4411.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H35 Al N2 -","- C22 H35 Al N2 -","- C176 H280 Al8 N16 -","8","2","","Liu, Wenqing; Ding, Yi; Jin, Da; Shen, Qiumiao; Yan, Ben; Ma, Xiaoli; Yang, Zhi","Organic aluminum hydrides catalyze nitrile hydroboration","Green Chemistry","2019","21","14","3812","","10.1039/C9GC01659G","","","0.71073","MoKα","","0.1105","0.0522","","","0.1188","0.1412","","","","","","1.019","","","","has coordinates","224618","2020-10-21","18:00:00","" "7232996","27.963","0.005","16.952","0.003","12.983","0.002","90","","107.713","0.005","90","","5862.6","1.7","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H47 Al N2 -","- C31 H47 Al N2 -","- C248 H376 Al8 N16 -","8","2","","Liu, Wenqing; Ding, Yi; Jin, Da; Shen, Qiumiao; Yan, Ben; Ma, Xiaoli; Yang, Zhi","Organic aluminum hydrides catalyze nitrile hydroboration","Green Chemistry","2019","21","14","3812","","10.1039/C9GC01659G","","","0.71073","MoKα","","0.0711","0.0511","","","0.123","0.1333","","","","","","1.012","","","","has coordinates","224618","2020-10-21","18:00:00","" "7232997","7.5895","0.0008","9.8629","0.001","14.7226","0.0017","90","","95.149","0.004","90","","1097.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 N8 O4 -","- C9 H6 N8 O4 -","- C36 H24 N32 O16 -","4","1","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.1335","0.0599","","","0.0994","0.1241","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232998","7.0409","0.0014","10.232","0.002","19.848","0.004","87.614","0.005","85.009","0.005","82.298","0.005","1411","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 Cl N16 O15 -","- C16 H23 Cl N16 O15 -","- C32 H46 Cl2 N32 O30 -","2","1","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.1482","0.0823","","","0.2","0.2536","","","","","","0.979","","","","has coordinates","301866","2025-08-22","21:38:25","" "7232999","7.773","0.006","9.309","0.008","10.386","0.008","77.691","0.017","78.764","0.017","87.961","0.018","720.2","1","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl N9 O6 -","- C9 H8 Cl N9 O6 -","- C18 H16 Cl2 N18 O12 -","2","1","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.0799","0.0601","","","0.1697","0.1929","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:25","" "7233000","10.704","0.004","10.704","","23.932","0.009","90","","90","","90","","2742","1.5","153","","153","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H15 N18 O15 -","- C16 H15 N18 O15 -","- C64 H60 N72 O60 -","4","0.5","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.1337","0.0617","","","0.12","0.1592","","","","","","1.009","","","","has coordinates","223512","2020-10-21","18:00:00","" "7233001","3.9198","0.0002","25.3323","0.0011","7.1542","0.0003","90","","97.305","0.005","90","","704.63","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C38 H30 N2 O4 -","2","1","","Liang, Yaofeng; Teng, Lili; Wang, Yajun; He, Qiuxing; Cao, Hua","A visible-light-induced intermolecular [3 + 2] alkenylation‒cyclization strategy: metal-free construction of pyrrolo[2,1,5-cd]indolizine rings","Green Chemistry","2019","21","15","4025","","10.1039/C9GC01766F","","x-ray","1.54184","CuKα","","0.0385","0.0367","","","0.0949","0.0966","","","","","","1.067","","","","has coordinates","224627","2020-10-21","18:00:00","" "7233007","9.449","0.004","15.591","0.007","17.606","0.007","99.55","0.02","97.95","0.016","107.597","0.011","2388.6","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","1","1","","- C24 H18 Cl2 Hg N2 O4 -","- C24 H18 Cl2 Hg N2 O4 -","- C96 H72 Cl8 Hg4 N8 O16 -","4","2","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.1122","0.0769","","","0.1548","0.176","","","","","","1.067","","","","has coordinates","223527","2020-10-21","18:00:00","" "7233008","33.59","0.04","5.376","0.006","13.679","0.017","90","","112.928","0.013","90","","2275","5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4","4","","- C22 H16 Cl2 Hg N4 O4 -","- C22 H16 Cl2 Hg N4 O4 -","- C88 H64 Cl8 Hg4 N16 O16 -","4","0.5","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.0513","0.0446","","","0.1091","0.1148","","","","","","1.149","","","","has coordinates","223527","2020-10-21","18:00:00","" "7233009","9.436","0.005","15.89","0.01","17.648","0.01","99.93","0.03","97.67","0.02","107.083","0.017","2443","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","2","2","","- C24 H18 Br2 Hg N2 O4 -","- C24 H18 Br2 Hg N2 O4 -","- C96 H72 Br8 Hg4 N8 O16 -","4","2","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.1089","0.0785","","","0.1651","0.1828","","","","","","1.085","","","","has coordinates","223527","2020-10-21","18:00:00","" "7233010","18.977","0.013","4.969","0.003","26.436","0.017","90","","97.967","0.008","90","","2469","3","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","5","5","","- C22 H16 Br2 Hg N4 O4 -","- C22 H16 Br2 Hg N4 O4 -","- C88 H64 Br8 Hg4 N16 O16 -","4","0.5","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.0638","0.054","","","0.1149","0.121","","","","","","1.095","","","","has coordinates,has disorder","223527","2020-10-21","18:00:00","" "7233011","22.181","0.007","10.916","0.003","27.34","0.007","90","","127.333","0.018","90","","5264","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3","3","","- C24 H18 Hg I2 N2 O4 -","- C24 H18 Hg I2 N2 O4 -","- C192 H144 Hg8 I16 N16 O32 -","8","2","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.0605","0.0493","","","0.1179","0.1247","","","","","","1.109","","","","has coordinates","223527","2020-10-21","18:00:00","" "7233012","4.8756","0.001","9.889","0.002","14.245","0.003","85.77","0.03","88.56","0.03","80.94","0.03","676.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-Phenyl-3,7-bis(trifluoromethyl)-1,4-dihydro-1,2,4-benzotriazin-4-yl","","- C15 H8 F6 N3 -","- C15 H8 F6 N3 -","- C30 H16 F12 N6 -","2","1","","Constantinides, Christos P.; Lawson, Daniel B.; Berezin, Andrey A.; Zissimou, Georgia A.; Manoli, Maria; Leitus, Gregory M.; Koutentis, Panayiotis A.","Ferromagnetic interactions in a 1D Heisenberg linear chain of 1-phenyl-3,7-bis(trifluoromethyl)-1,4-dihydro-1,2,4-benzotriazin-4-yls","CrystEngComm","2019","21","31","4599","","10.1039/C9CE00739C","","","1.54184","CuKα","","0.1545","0.1359","","","0.401","0.4092","","","","","","1.098","","","","has coordinates,has disorder","223676","2020-10-21","18:00:00","" "7233013","7.457","0.005","7.942","0.007","11.259","0.007","71.93","0.06","74.01","0.04","89.57","0.07","607.2","0.8","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N2 S6 -","- C26 H20 N2 S6 -","- C26 H20 N2 S6 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","0.0726","0.0454","","","0.118","0.1323","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:25","" "7233014","7.699","0.0017","8.464","0.008","10.046","0.004","85.13","0.05","83.78","0.03","89.63","0.04","648.4","0.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 N2 O2 S4 -","- C30 H22 N2 O2 S4 -","- C30 H22 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0745","","","","0.2404","","","","","","1.004","","","","has coordinates","301866","2025-08-22","21:38:25","" "7233015","7.659","0.008","8.117","0.006","23.27","0.03","90","","96.74","0.08","90","","1437","3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N2 S6 -","- C32 H26 N2 S6 -","- C64 H52 N4 S12 -","2","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0556","","","","0.1656","","","","","","0.927","","","","has coordinates","301866","2025-08-22","21:38:25","" "7233016","8.64","0.008","9.63","0.005","9.702","0.005","107.84","0.04","108.51","0.05","101.57","0.06","687.9","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 N2 O2 S4 -","- C34 H22 N2 O2 S4 -","- C34 H22 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0755","","","","0.2391","","","","","","1.085","","","","has coordinates","301866","2025-08-22","21:38:25","" "7233017","7.564","0.003","7.574","0.006","22.841","0.011","90","","96.9","0.03","90","","1299.1","1.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 S6 -","- C28 H24 N2 S6 -","- C56 H48 N4 S12 -","2","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","0.0584","0.0401","","","0.104","0.1144","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:25","" "7233018","7.506","0.004","7.856","0.007","10.872","0.004","69.79","0.05","76.82","0.04","89.71","0.06","583.9","0.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N2 O2 S4 -","- C26 H20 N2 O2 S4 -","- C26 H20 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.055","","","","0.1732","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:25","" "7233019","7.541","0.006","8.263","0.006","11.632","0.007","70.08","0.05","75.07","0.06","89.43","0.06","656","0.9","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 S6 -","- C30 H22 N2 S6 -","- C30 H22 N2 S6 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","0.1258","0.053","","","0.1264","0.1543","","","","","","0.999","","","","has coordinates","301866","2025-08-22","21:38:25","" "7233020","7.317","0.004","7.754","0.014","11.041","0.005","104.81","0.07","101.31","0.04","91.4","0.09","592","1.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N2 O2 S4 -","- C26 H20 N2 O2 S4 -","- C26 H20 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0896","","","","0.2946","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:25","" "7233021","7.365","0.003","8.101","0.008","12.063","0.004","88.18","0.06","82.11","0.03","83.41","0.06","708.1","0.8","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N2 O2 S4 -","- C32 H26 N2 O2 S4 -","- C32 H26 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0896","","","","0.2326","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:25","" "7233022","7.271","0.003","9.426","0.009","11.546","0.006","67.88","0.05","74.83","0.04","79.16","0.05","704","0.9","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 N2 S6 -","- C34 H22 N2 S6 -","- C34 H22 N2 S6 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0538","","","","0.1582","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:25","" "7233023","7.326","0.003","8.145","0.004","11.233","0.004","92.52","0.03","103.51","0.03","97.61","0.04","644","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 N2 O2 S4 -","- C30 H22 N2 O2 S4 -","- C30 H22 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0767","","","","0.2532","","","","","","0.967","","","","has coordinates","301866","2025-08-22","21:38:25","" "7233027","25.864","0.005","17.137","0.003","15.838","0.003","90","","118.8","0.03","90","","6152","3","273","2","273.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H42 Cd2 N6 O10 -","- C60 H42 Cd2 N6 O10 -","- C240 H168 Cd8 N24 O40 -","4","1","","Chen, Di-Ming; Zhang, Xue-Jing","Stepwise and hysteretic sorption of CO2 in polycatenated metal‒organic frameworks","CrystEngComm","2019","21","32","4696","","10.1039/C9CE00760A","","","0.71073","MoKα","","0.0539","0.0483","","","0.1174","0.1209","","","","","","1.032","","","","has coordinates,has disorder","223515","2020-10-21","18:00:00","" "7233028","25.124","0.0012","17.0584","0.0005","30.6102","0.0013","90","","113.725","0.005","90","","12010.1","1","129.9","0.14","129.9","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 N6 O10 Zn2 -","- C62 H48 N6 O10 Zn2 -","- C496 H384 N48 O80 Zn16 -","8","1","","Chen, Di-Ming; Zhang, Xue-Jing","Stepwise and hysteretic sorption of CO2 in polycatenated metal‒organic frameworks","CrystEngComm","2019","21","32","4696","","10.1039/C9CE00760A","","","0.71073","MoKα","","0.0844","0.0603","","","0.1589","0.171","","","","","","1.066","","","","has coordinates","223515","2020-10-21","18:00:00","" "7233037","5.5006","0.0008","5.8258","0.0008","6.5611","0.0009","76.395","0.002","67.816","0.002","79.145","0.002","188.07","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 N2 O5.786 -","- C4 H10 N2 O5.786 -","- C4 H10 N2 O5.786 -","1","0.5","","Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V.","Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone","CrystEngComm","2019","21","33","4961","","10.1039/C9CE00892F","","","0.71073","MoKα","","0.0412","0.0385","","","0.1024","0.1049","","","","","","1.055","","","","has coordinates,has disorder","223530","2020-10-21","18:00:00","" "7233038","7.439","0.002","8.215","0.002","8.298","0.002","97.332","0.004","104.578","0.004","104.053","0.004","466.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H14 N2 O6 -","- C6 H14 N2 O6 -","- C12 H28 N4 O12 -","2","1","","Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V.","Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone","CrystEngComm","2019","21","33","4961","","10.1039/C9CE00892F","","","0.71073","MoKα","","0.067","0.0555","","","0.1517","0.1594","","","","","","1.109","","","","has coordinates","301866","2025-08-22","21:38:25","" "7233039","5.654","0.003","5.802","0.003","6.648","0.003","76.505","0.008","66.44","0.007","79.984","0.008","193.59","0.17","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 N2 O6 -","- C4 H10 N2 O6 -","- C4 H10 N2 O6 -","1","0.5","","Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V.","Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone","CrystEngComm","2019","21","33","4961","","10.1039/C9CE00892F","","","0.71073","MoKα","","0.0496","0.0417","","","0.1165","0.1242","","","","","","1.053","","","","has coordinates","223530","2020-10-21","18:00:00","" "7233040","8.2527","0.0013","6.6341","0.001","15.034","0.002","90","","99.847","0.002","90","","811","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C24 H48 N8 O16 -","4","1","","Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V.","Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone","CrystEngComm","2019","21","33","4961","","10.1039/C9CE00892F","","","0.71073","MoKα","","0.0382","0.034","","","0.1012","0.1046","","","","","","1.095","","","","has coordinates","223530","2020-10-21","18:00:00","" "7233050","9.3","0.0008","9.3023","0.0008","11.3137","0.001","94.166","0.007","108.407","0.008","96.344","0.007","916.98","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Br4 N2 O2 Zn2 -","- C38 H38 Br4 N2 O2 Zn2 -","- C38 H38 Br4 N2 O2 Zn2 -","1","0.5","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.77936","synchrotron","","0.0776","0.0673","","","0.1822","0.1899","","","","","","1.079","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00","" "7233051","8.8991","0.0003","13.0969","0.0004","19.863","0.0006","90","","90.033","0.003","90","","2315.04","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H48 Cl4 N2 O3 Zn2 -","- C49 H48 Cl4 N2 O3 Zn2 -","- C98 H96 Cl8 N4 O6 Zn4 -","2","0.5","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0326","0.03","","","0.077","0.0787","","","","","","1.04","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00","" "7233052","17.659","0.004","15.216","0.003","6.9834","0.0012","90","","94.06","0.02","90","","1871.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl2 N2 O3 Zn -","- C19 H18 Cl2 N2 O3 Zn -","- C76 H72 Cl8 N8 O12 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.68683","synchrotron","","0.1643","0.0982","","","0.2086","0.2361","","","","","","1.063","","","","has coordinates","223531","2020-10-21","18:00:00","" "7233053","11.8909","0.0007","12.6582","0.0007","25.0471","0.0016","90","","98.073","0.006","90","","3732.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 Cl3 N4 O6 Zn -","- C38 H37 Cl3 N4 O6 Zn -","- C152 H148 Cl12 N16 O24 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0624","0.0422","","","0.0938","0.102","","","","","","1.04","","","","has coordinates","223531","2020-10-21","18:00:00","" "7233054","10.1512","0.0003","12.0717","0.0004","21.8754","0.0007","84.876","0.003","77.406","0.002","65.333","0.003","2377.43","0.14","295","2","295","2","","","","","","","","6","P -1","-P 1","2","zinc(2+) ion 2-[(E)-2-(3-methoxy-2-oxidophenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium ethanol dibromide","zinc(2+) ion 2-[(E)-2-(3-methoxy-2-oxidophenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium ethanol dibromide","","- C22 H26 Br2 N O3 Zn -","- C22 H26 Br2 N O3 Zn -","- C88 H104 Br8 N4 O12 Zn4 -","4","2","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","1.54184","CuKα","","0.063","0.0567","","","0.1558","0.1657","","","","","","1.052","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00","" "7233055","8.289","0.0005","21.5395","0.0016","12.2257","0.0011","90","","97.748","0.007","90","","2162.9","0.3","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N O2 Zn -","- C19 H22 Cl3 N O2 Zn -","- C76 H88 Cl12 N4 O8 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.1045","0.0651","","","0.1083","0.1217","","","","","","1.084","","","","has coordinates","223531","2020-10-21","18:00:00","" "7233056","8.8651","0.00016","14.8667","0.0004","15.2523","0.0005","113.831","0.003","94.587","0.002","91.7161","0.0019","1828.62","0.09","295","2","295","2","","","","","","","","6","P -1","-P 1","2","zinc(2+) ion bis(1,3,3-trimethyl-2-[(E)-2-(5-nitro-2-oxidophenyl)ethenyl]-3H-indol-1-ium) dichloride","zinc(2+) ion bis(1,3,3-trimethyl-2-[(E)-2-(5-nitro-2-oxidophenyl)ethenyl]-3H-indol-1-ium) dichloride","","- C38 H36 Cl2 N4 O6 Zn -","- C38 H36 Cl2 N4 O6 Zn -","- C76 H72 Cl4 N8 O12 Zn2 -","2","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","1.54184","CuKα","","0.0393","0.0369","","","0.1015","0.1049","","","","","","1.031","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00","" "7233057","12.388","0.006","13.671","0.007","14.855","0.008","108.02","0.05","101.2","0.04","101.01","0.04","2260","2","293","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 Cl4 N4 O12 Zn2 -","- C38 H36 Cl4 N4 O12 Zn2 -","- C76 H72 Cl8 N8 O24 Zn4 -","2","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.2868","0.1182","","","0.2032","0.247","","","","","","1.074","","","","has coordinates","223531","2020-10-21","18:00:00","" "7233058","8.9744","0.00014","12.9849","0.0002","20.5608","0.0003","90","","91.4476","0.0014","90","","2395.22","0.06","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","dizinc(2+) ion bis(1,3,3-trimethyl-2-[(E)-2-(2-oxidonaphthalen-1-yl)ethenyl]-3H-indol-1-ium) tetrabromide acetone solvate","dizinc(2+) ion bis(1,3,3-trimethyl-2-[(E)-2-(2-oxidonaphthalen-1-yl)ethenyl]-3H-indol-1-ium) propan-2-one tetrabromide","","- C49 H48 Br4 N2 O3 Zn2 -","- C49 H48 Br4 N2 O3 Zn2 -","- C98 H96 Br8 N4 O6 Zn4 -","2","0.5","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","1.54184","CuKα","","0.0405","0.0352","","","0.0908","0.0961","","","","","","1.037","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00","" "7233059","21.9384","0.0011","9.7692","0.0004","21.2029","0.001","90","","97.634","0.005","90","","4503.9","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H56 Cl4 N2 O7 Zn2 -","- C44 H56 Cl4 N2 O7 Zn2 -","- C176 H224 Cl16 N8 O28 Zn8 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0448","0.0389","","","0.0934","0.0972","","","","","","1.042","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00","" "7233060","17.517","0.007","15.29","0.004","7.252","0.002","90","","92.47","0.03","90","","1940.5","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Br2 N2 O3 Zn -","- C19 H18 Br2 N2 O3 Zn -","- C76 H72 Br8 N8 O12 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.68683","synchrotron","","0.2563","0.1949","","","0.3823","0.4257","","","","","","1.439","","","","has coordinates","223531","2020-10-21","18:00:00","" "7233061","6.5663","0.0008","15.809","0.0012","20.1333","0.0015","90","","90","","90","","2090","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Cl2 N2 O6 Zn -","- C19 H24 Cl2 N2 O6 Zn -","- C76 H96 Cl8 N8 O24 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.6866","synchrotron","","0.1007","0.0699","","","0.1286","0.1396","","","","","","1.048","","","","has coordinates","223531","2020-10-21","18:00:00","" "7233062","14.4022","0.0007","13.0338","0.0006","26.6165","0.0016","90","","99.77","0.006","90","","4923.9","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 Br4 N7 O6 Zn2 -","- C44 H45 Br4 N7 O6 Zn2 -","- C176 H180 Br16 N28 O24 Zn8 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0632","0.0458","","","0.1028","0.1101","","","","","","1.06","","","","has coordinates","223531","2020-10-21","18:00:00","" "7233063","9.1737","0.0006","14.969","0.0014","15.421","0.002","116.717","0.011","98.405","0.008","89.487","0.007","1867.4","0.4","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Br2 N4 O6 Zn -","- C38 H36 Br2 N4 O6 Zn -","- C76 H72 Br4 N8 O12 Zn2 -","2","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0611","0.0416","","","0.0873","0.0949","","","","","","1.038","","","","has coordinates","223531","2020-10-21","18:00:00","" "7233064","11.6156","0.0011","13.0124","0.0006","14.0058","0.0014","77.862","0.006","76.661","0.008","87.03","0.006","2013.8","0.3","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Cl4 Co N4 O7 -","- C38 H40 Cl4 Co N4 O7 -","- C76 H80 Cl8 Co2 N8 O14 -","2","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0994","0.0632","","","0.1293","0.144","","","","","","1.041","","","","has coordinates","223531","2020-10-21","18:00:00","" "7233065","11.9195","0.0009","12.6137","0.0007","25.1143","0.0014","90","","97.136","0.006","90","","3746.7","0.4","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 Cl3 Co N4 O6 -","- C38 H37 Cl3 Co N4 O6 -","- C152 H148 Cl12 Co4 N16 O24 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0994","0.0547","","","0.0971","0.1128","","","","","","1.023","","","","has coordinates","223531","2020-10-21","18:00:00","" "7233066","11.8302","0.0004","12.7363","0.0003","24.687","0.0009","90","","98.6","0.003","90","","3677.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.07 H39.68 Br2.46 N4 O6.54 Zn -","- C39.0728 H39.6824 Br2.464 N4 O6.5364 Zn -","- C156.291 H158.73 Br9.856 N16 O26.1456 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.77936","synchrotron","","0.0681","0.0529","","","0.1249","0.1316","","","","","","1.047","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00","" "7233067","18.5626","0.0007","18.5626","0.0007","23.7453","0.001","90","","90","","120","","7085.8","0.5","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C23 H17 Cu2 N O10 -","- C23 H16 Cu2 N O10 -","- C138 H96 Cu12 N6 O60 -","6","0.25","","Xu, Tingting; Jiang, Zhenzhen; He, Minghui; Gao, Xiaoxia; He, Yabing","Effect of arrangement of functional groups on stability and gas adsorption properties in two regioisomeric copper bent diisophthalate frameworks","CrystEngComm","2019","21","32","4820","","10.1039/C9CE00882A","","","1.54178","CuKα","","0.0776","0.0677","","","0.2631","0.2745","","","","","","1.091","","","","has coordinates","223516","2020-10-21","18:00:00","" "7233068","18.6231","0.0007","18.6231","0.0007","23.8591","0.001","90","","90","","120","","7166.2","0.5","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C23 H17 Cu2 N O10 -","- C23 H17 Cu2 N O10 -","- C138 H102 Cu12 N6 O60 -","6","0.25","","Xu, Tingting; Jiang, Zhenzhen; He, Minghui; Gao, Xiaoxia; He, Yabing","Effect of arrangement of functional groups on stability and gas adsorption properties in two regioisomeric copper bent diisophthalate frameworks","CrystEngComm","2019","21","32","4820","","10.1039/C9CE00882A","","","1.54178","CuKα","","0.0717","0.0488","","","0.1705","0.2016","","","","","","1.034","","","","has coordinates","223516","2020-10-21","18:00:00","" "7233069","10.2378","0.0011","10.1117","0.0009","13.0302","0.001","90","","92.895","0.005","90","","1347.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C52 H60 N12 O12 -","4","1","","Devi, Kakali; Sarma, Rupam J.","Mechano-responsive luminescent emissions of an organic molecular crystal: effects of aromatic stacking interactions and solid state packing","CrystEngComm","2019","21","32","4811","","10.1039/C9CE00659A","","","0.71073","MoKα","","0.0588","0.0436","","","0.1258","0.145","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:25","" "7233070","16.1385","0.0017","4.7309","0.0005","15.7978","0.0017","90","","114.296","0.005","90","","1099.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","1","","Devi, Kakali; Sarma, Rupam J.","Mechano-responsive luminescent emissions of an organic molecular crystal: effects of aromatic stacking interactions and solid state packing","CrystEngComm","2019","21","32","4811","","10.1039/C9CE00659A","","","0.71073","MoKα","","0.0893","0.0602","","","0.1476","0.1743","","","","","","1.125","","","","has coordinates","301866","2025-08-22","21:38:25","" "7233071","10.5391","0.0009","9.15","0.0014","19.861","0.002","90","","90","","90","","1915.3","0.4","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C80 H72 N24 O8 -","8","1","","Zhang, Dongsheng; Fan, Yingzhu; Yan, Zhongliang; Nie, Yi; Xiong, Xingquan; Gao, Lizhu","Reactions of α-haloacroleins with azides: highly regioselective synthesis of formyl triazoles","Green Chemistry","2019","21","15","4211","","10.1039/C9GC01129C","","x-ray","0.71073","MoKα","","0.0629","0.0452","","","0.141","0.1777","","","","","","0.683","","","","has coordinates","301866","2025-08-22","21:38:25","" "7233133","6.2281","0.0005","19.4672","0.0019","15.2664","0.0013","90","","95.993","0.008","90","","1840.8","0.3","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Brock, A. J.; McMurtrie, John C.; Clegg, J. K.","Self-assembly of bis-β-diketone-based [M2L2] dinuclear platforms into 2-dimensional coordination polymers","CrystEngComm","2019","21","32","4786","","10.1039/C9CE00896A","","x-ray","1.54184","CuKα","","0.0729","0.0533","","","0.1489","0.1692","","","","","","1.051","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25","" "7233134","5.761","0.0012","9.921","0.002","16.902","0.003","75.2","0.03","88.4","0.03","74.52","0.03","899.3","0.4","100","","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 N2 O8 Pd2 -","- C38 H46 N2 O8 Pd2 -","- C38 H46 N2 O8 Pd2 -","1","0.5","","Brock, A. J.; McMurtrie, John C.; Clegg, J. K.","Self-assembly of bis-β-diketone-based [M2L2] dinuclear platforms into 2-dimensional coordination polymers","CrystEngComm","2019","21","32","4786","","10.1039/C9CE00896A","","","0.7108","MoKα","","0.1365","0.136","","","0.3838","0.3839","","","","","","1.224","","","","has coordinates,has disorder","223514","2020-10-21","18:00:00","" "7233135","16.234","0.003","11.13","0.002","12.499","0.003","90","","105.22","0.03","90","","2179.2","0.8","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Cu2 N2 O8 -","- C38 H46 Cu2 N2 O8 -","- C76 H92 Cu4 N4 O16 -","2","0.5","","Brock, A. J.; McMurtrie, John C.; Clegg, J. K.","Self-assembly of bis-β-diketone-based [M2L2] dinuclear platforms into 2-dimensional coordination polymers","CrystEngComm","2019","21","32","4786","","10.1039/C9CE00896A","","","0.7108","MoKα","","0.0325","0.0318","","","0.087","0.0876","","","","","","1.055","","","","has coordinates,has disorder","223514","2020-10-21","18:00:00","" "7233136","16.584","0.003","11.077","0.002","12.668","0.003","90","","107.26","0.03","90","","2222.3","0.9","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43.87 N2 O8 Zn2 -","- C38 H43.87 N2 O8 Zn2 -","- C76 H87.74 N4 O16 Zn4 -","2","0.5","","Brock, A. J.; McMurtrie, John C.; Clegg, J. K.","Self-assembly of bis-β-diketone-based [M2L2] dinuclear platforms into 2-dimensional coordination polymers","CrystEngComm","2019","21","32","4786","","10.1039/C9CE00896A","","","0.7108","Synchrotron","","0.1072","0.0851","","","0.1892","0.2078","","","","","","1.075","","","","has coordinates,has disorder","223514","2020-10-21","18:00:00","" "7233207","9.7993","0.0004","9.7993","0.0004","7.2938","0.0003","90","","90","","120","","606.56","0.04","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu0.476 O12.83 P3 Sr5 -","- Cu0.476 O12.83 P3 Sr5 -","- Cu0.952 O25.66 P6 Sr10 -","2","0.166667","","Kazin, Pavel E.; Zykin, Mikhail A.; Jesche, Anton; Seidler, Maximilian L.; Tafeenko, Victor A.; Eliseev, Andrey A.; Trusov, Lev A.; Jansen, Martin","Manifestation of strong magnetic and giant Raman anisotropy in single crystals of Cu for H substituted strontium hydroxyapatite","CrystEngComm","2019","21","33","4976","","10.1039/C9CE00923J","","x-ray","0.71073","MoKα","","0.0537","0.0262","","","0.0254","0.0278","","","","1.1","1.1","0.97","","","","has coordinates","223529","2020-10-21","18:00:00","" "7233208","8.9341","0.0004","8.9659","0.0005","11.9315","0.0006","75.325","0.004","81.348","0.004","89.62","0.004","913.55","0.08","293","2","293","","","","","","","","","5","P -1","-P 1","2","tenoxicam acetone solvate","","","- C16 H17 N3 O5 S2 -","- C16 H17 N3 O5 S2 -","- C32 H34 N6 O10 S4 -","2","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto–enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.71073","MoKα","","0.0518","0.0378","","","0.0971","0.1079","","","","","","1.052","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26","" "7233209","9.596","0.0019","16.74","0.003","28.301","0.006","90","","90","","90","","4546.2","1.6","100","1","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","tenoxicam chloroform II solvate","","","- C15 H13 Cl6 N3 O4 S2 -","- C15 H13 Cl6 N3 O4 S2 -","- C120 H104 Cl48 N24 O32 S16 -","8","2","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto–enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.7937","synchrotron","","0.0869","0.0636","","","0.1623","0.1783","","","","","","1.03","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26","" "7233210","9.1718","0.0003","8.9965","0.0003","21.1092","0.0008","90","","98.591","0.004","90","","1722.26","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tenoxicam acetonitrile solvat","","","- C15 H14 N4 O4 S2 -","- C15 H14 N4 O4 S2 -","- C60 H56 N16 O16 S8 -","4","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto–enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","x-ray","0.71073","MoKα","","0.0613","0.0434","","","0.0934","0.1011","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233211","9.106","0.0004","9.4381","0.0004","11.6586","0.0006","74.53","0.004","77.5","0.004","85.545","0.003","942.58","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","tenoxicam dimethylformamide solvate","","","- C16 H18 N4 O5 S2 -","- C16 H18 N4 O5 S2 -","- C32 H36 N8 O10 S4 -","2","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto–enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","x-ray","0.71073","MoKα","","0.0585","0.0427","","","0.111","0.1227","","","","","","1.04","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26","" "7233212","13.579","0.003","10.135","0.002","14.88","0.003","90","","116.58","0.03","90","","1831.4","0.8","100","1","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tenoxicam chloroform III solvate","","","- C14 H12 Cl3 N3 O4 S2 -","- C14 H12 Cl3 N3 O4 S2 -","- C56 H48 Cl12 N12 O16 S8 -","4","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto–enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.7937","synchrotron","","0.0475","0.0424","","","0.108","0.1115","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233213","10.6019","0.0012","12.781","0.001","28.841","0.002","90","","92.076","0.01","90","","3905.5","0.6","293","2","293","3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tenoxicam chloroform I solvate","","","- C28 H24 Cl6 N6 O8 S4 -","- C28 H24 Cl6 N6 O8 S4 -","- C112 H96 Cl24 N24 O32 S16 -","4","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto–enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.71073","MoKα","","0.2576","0.1163","","","0.3158","0.3957","","","","","","1.034","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26","" "7233231","12.1982","0.0009","12.6561","0.001","17.4615","0.0013","79.068","0.005","69.577","0.004","65.464","0.004","2295","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 N5 O9 Sc -","- C15 H10 N5 O9 Sc -","- C60 H40 N20 O36 Sc4 -","4","2","","Zhu, Ziqian; Tao, Yufang; Jiang, Yansong; Zhang, Liying; Xu, Jianing; Wang, Li; Fan, Yong","Two scandium coordination polymers: rapid synthesis and catalytic properties","CrystEngComm","2019","21","35","5261","","10.1039/C9CE00969H","","","0.71073","MoKα","","0.1226","0.0527","","","0.1202","0.1355","","","","","","0.809","","","","has coordinates","223712","2020-10-21","18:00:00","" "7233232","8.0179","0.0005","8.1281","0.0006","10.1235","0.0008","67.896","0.004","77.329","0.005","87.356","0.004","595.89","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 N2 O8 Sc -","- C7 H5 N2 O8 Sc -","- C14 H10 N4 O16 Sc2 -","2","1","","Zhu, Ziqian; Tao, Yufang; Jiang, Yansong; Zhang, Liying; Xu, Jianing; Wang, Li; Fan, Yong","Two scandium coordination polymers: rapid synthesis and catalytic properties","CrystEngComm","2019","21","35","5261","","10.1039/C9CE00969H","","","0.71073","MoKα","","0.0371","0.0331","","","0.0944","0.0972","","","","","","1.072","","","","has coordinates","223712","2020-10-21","18:00:00","" "7233233","14.5354","0.0008","6.9178","0.0004","15.7237","0.0008","90","","96.902","0.005","90","","1569.61","0.15","150","10","150","10","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 F2 N4 O7 -","- C15 H12 F2 N4 O7 -","- C60 H48 F8 N16 O28 -","4","0.5","","Dai, Xia-Lin; Voronin, Alexander P.; Gao, Wei; Perlovich, German L.; Lu, Tong-Bu; Chen, Jia-Mei","Intermolecular interactions and permeability of 5-fluorouracil cocrystals with a series of isomeric hydroxybenzoic acids: a combined theoretical and experimental study","CrystEngComm","2019","21","34","5095","","10.1039/C9CE00661C","","x-ray","1.54184","CuKα","","0.0763","0.0592","","","0.1594","0.1806","","","","","","0.903","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26","" "7233234","17.9538","0.0002","13.0669","0.0002","21.0038","0.0003","90","","96.8682","0.0013","90","","4892.14","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C228 H192 N24 O24 -","12","3","","Kong, Yanyan; Li, Yabo; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie","An electrochemical off–on method for pyrimidin-2(1H)-one synthesis via three-component cyclization","Green Chemistry","2019","21","16","4495","","10.1039/C9GC02005E","","x-ray","1.54184","CuKα","","0.0729","0.0511","","","0.1457","0.166","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233236","15.001","0.002","5.5536","0.0005","21.455","0.003","90","","95.23","0.002","90","","1780","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.1321","0.0562","","","0.148","0.1973","","","","","","1.014","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233237","15.6883","0.0018","11.7144","0.0012","17.777","0.0018","90","","109.199","0.003","90","","3085.3","0.6","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H26 Cd N2 O6 -","- C30 H26 Cd N2 O6 -","- C120 H104 Cd4 N8 O24 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.1708","0.1084","","","0.2562","0.317","","","","","","1.085","","","","has coordinates","223717","2020-10-21","18:00:00","" "7233238","16.0435","0.0014","11.6969","0.0008","18.498","0.0015","90","","113.454","0.002","90","","3184.5","0.4","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H25 Cd N2 O6 -","- C30 H25 Cd N2 O6 -","- C120 H100 Cd4 N8 O24 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0561","0.0414","","","0.075","0.0789","","","","","","1.198","","","","has coordinates","223717","2020-10-21","18:00:00","" "7233239","14.5475","0.0006","28.4089","0.0012","6.1616","0.0003","90","","90","","90","","2546.46","0.19","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H32 Cd N2 O7 -","- C26 H32 Cd N2 O7 -","- C104 H128 Cd4 N8 O28 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0215","0.0204","","","0.0485","0.0491","","","","","","1.094","","","","has coordinates","223717","2020-10-21","18:00:00","" "7233240","9.2536","0.0005","7.6512","0.0003","12.6769","0.0007","90","","108.093","0.002","90","","853.16","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0539","0.0451","","","0.0756","0.0773","","","","","","1.719","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233241","9.2808","0.0005","7.6511","0.0003","12.6946","0.0006","90","","108.142","0.002","90","","856.61","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0448","0.0385","","","0.1128","0.1167","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233242","14.5483","0.0005","28.4278","0.0012","6.166","0.0002","90","","90","","90","","2550.11","0.16","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H32 Cd N2 O7 -","- C26 H32 Cd N2 O7 -","- C104 H128 Cd4 N8 O28 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0309","0.0245","","","0.0559","0.0589","","","","","","0.971","","","","has coordinates","223717","2020-10-21","18:00:00","" "7233243","10.5096","0.0006","10.9768","0.0004","12.5019","0.0006","104.759","0.004","107.34","0.005","97.38","0.004","1298.23","0.12","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0349","0.033","","","0.0938","0.0948","","","","","","1.1","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00","" "7233244","10.4937","0.0006","10.9559","0.0004","12.5321","0.0006","104.652","0.004","107.923","0.004","97.114","0.004","1294.06","0.12","140","","140","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0311","0.0295","","","0.0857","0.0866","","","","","","1.07","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00","" "7233245","10.5194","0.0006","10.9889","0.0004","12.5734","0.0006","104.589","0.004","108.172","0.005","96.992","0.004","1304.34","0.12","160","","160","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0291","0.0276","","","0.0785","0.0792","","","","","","1.051","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00","" "7233246","10.5156","0.0006","10.9858","0.0004","12.529","0.0006","104.707","0.004","107.578","0.005","97.265","0.004","1301.8","0.12","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0327","0.0309","","","0.0886","0.0896","","","","","","1.11","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00","" "7233247","10.5121","0.0006","10.9835","0.0005","12.6782","0.0005","104.175","0.004","109.639","0.004","96.452","0.004","1305.96","0.12","240","","240","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.028","0.0267","","","0.0735","0.0743","","","","","","1.07","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00","" "7233248","10.519","0.0006","10.9933","0.0005","12.6565","0.0005","104.317","0.004","109.262","0.004","96.536","0.004","1307.83","0.12","220","","220","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0325","0.0313","","","0.0836","0.0846","","","","","","1.048","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00","" "7233249","10.5964","0.001","11.0355","0.0007","12.9523","0.0013","102.131","0.007","112.002","0.009","97.133","0.006","1338.1","0.2","340","","340","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.045","0.0416","","","0.111","0.1132","","","","","","1.061","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00","" "7233250","10.5333","0.0006","11.0035","0.0005","12.7511","0.0005","103.784","0.005","110.271","0.004","96.437","0.004","1315.34","0.12","280","","280","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0272","0.0259","","","0.0693","0.0698","","","","","","1.076","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00","" "7233251","10.5256","0.0006","10.9947","0.0005","12.6032","0.0006","104.523","0.004","108.54","0.005","96.829","0.004","1306.91","0.13","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0444","0.043","","","0.1147","0.116","","","","","","0.999","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00","" "7233252","10.5371","0.0006","11.0161","0.0005","12.7345","0.0005","104.005","0.005","109.918","0.004","96.448","0.004","1317.37","0.12","260","","260","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0262","0.0249","","","0.07","0.0706","","","","","","1.081","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00","" "7233253","10.5213","0.0005","10.9954","0.0005","12.6323","0.0005","104.438","0.004","108.872","0.004","96.664","0.004","1307.93","0.11","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.03","0.0288","","","0.0784","0.0792","","","","","","1.074","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00","" "7233254","10.5861","0.0008","11.0497","0.0006","12.8741","0.001","103.021","0.006","111.135","0.007","96.698","0.005","1335.67","0.19","320","","320","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0346","0.0324","","","0.0922","0.0937","","","","","","1.074","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00","" "7233255","10.5445","0.0007","11.0141","0.0006","12.786","0.0008","103.484","0.005","110.657","0.006","96.519","0.005","1319.52","0.16","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0303","0.0285","","","0.0774","0.0784","","","","","","1.084","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00","" "7233256","10.6786","0.0015","11.0643","0.0014","13.078","0.003","98.788","0.014","113.593","0.018","99.692","0.011","1353.7","0.5","380","","380","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N2 O11 Tb -","- C18 H20 N2 O11 Tb -","- C36 H40 N4 O22 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","synchrotron","","0.1373","0.1222","","","0.2995","0.315","","","","","","1.189","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00","" "7233257","10.661","0.0013","11.0866","0.0011","13.1016","0.0015","100.439","0.01","112.923","0.012","98.339","0.009","1362.3","0.3","360","","360","","","","","","","","","5","P -1","-P 1","2","","","","- C19.01 H22.36 N2.34 O11.34 Tb -","- C18 H20 N2 O11 Tb -","- C36 H40 N4 O22 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","synchrotron","","0.113","0.0996","","","0.2571","0.2788","","","","","","1.101","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00","" "7233260","6.206","0.005","7.228","0.005","11.882","0.005","93.919","0.005","98.389","0.005","108.883","0.005","495.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H22 N12 O8 P0 S2 -","- C8 H20 N12 O8 S2 -","- C8 H20 N12 O8 S2 -","1","0.5","","Wei, Mei-Jie; Gao, Ying; Li, Ke; Li, Bo; Fu, Jia-Qi; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min","Supramolecular hydrogen-bonded organic networks through acid–base pairs as efficient proton-conducting electrolytes","CrystEngComm","2019","21","33","4996","","10.1039/C9CE00762H","","","0.71069","MoKα","","0.0578","0.0471","","","0.1399","0.1483","","","","","","1.068","","","","has coordinates","288504","2023-12-22","13:56:47","" "7233261","5.688","0.005","8.922","0.005","11.235","0.005","90","0.005","91.065","0.005","90","0.005","570.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N2 O6 S2 -","- C6 H14 N2 O6 S2 -","- C12 H28 N4 O12 S4 -","2","0.5","","Wei, Mei-Jie; Gao, Ying; Li, Ke; Li, Bo; Fu, Jia-Qi; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min","Supramolecular hydrogen-bonded organic networks through acid‒base pairs as efficient proton-conducting electrolytes","CrystEngComm","2019","21","33","4996","","10.1039/C9CE00762H","","","0.71069","MoKα","","0.0555","0.0473","","","0.1234","0.1301","","","","","","1.147","","","","has coordinates","223532","2020-10-21","18:00:00","" "7233262","9.8904","0.0002","22.5488","0.0005","20.4885","0.0004","90","","95.634","0.007","90","","4547.2","0.17","90","2","89.95","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di(aqua)Pentakis(N,N-dimethylacetamide)erbium(III)octacyanidotungstate(V) N,N-dimethylacetamide and aqua solvated","","- C32 H60 Er N14 O9 W -","- C32 H60 Er N14 O9 W -","- C128 H240 Er4 N56 O36 W4 -","4","1","","Kumar, Kunal; Stefanczyk, Olaf; Nakabayashi, Koji; Imoto, Kenta; Ohkoshi, Shin-ichi","Studies of Er(iii)‒W(v) compounds showing nonlinear optical activity and single-molecule magnetic properties","CrystEngComm","2019","21","39","5882","","10.1039/C9CE00822E","","","0.71075","MoKα","","0.0764","0.0529","","","0.0975","0.105","","","","","","1.069","","","","has coordinates","223568","2020-10-21","18:00:00","" "7233263","9.614","0.0008","18.1609","0.0012","25.5697","0.0018","90","","98.033","0.007","90","","4420.6","0.6","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris(aqua)Tetrakis(N,N-dimethylacetamide)erbium(III)octacyanidotungstate(V) N,N-dimethylacetamide and aqua solvated","","- C28 H51.5 Er N13 O11 W -","- C28 H51.5 Er N13 O11 W -","- C112 H206 Er4 N52 O44 W4 -","4","1","","Kumar, Kunal; Stefanczyk, Olaf; Nakabayashi, Koji; Imoto, Kenta; Ohkoshi, Shin-ichi","Studies of Er(iii)‒W(v) compounds showing nonlinear optical activity and single-molecule magnetic properties","CrystEngComm","2019","21","39","5882","","10.1039/C9CE00822E","","","0.71075","MoKα","","0.0924","0.0498","","","0.0899","0.1013","","","","","","1.002","","","","has coordinates,has disorder","223568","2020-10-21","18:00:00","" "7233264","9.7633","0.0004","19.5696","0.0008","10.411","0.0005","90","","109.168","0.008","90","","1878.89","0.17","90","2","89.95","","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","Pentakis(N,N-dimethylacetamide)erbium(III)octacyanidotungstate(V)","","- C28 H45 Er N13 O5 W -","- C28 H45 Er N13 O5 W -","- C56 H90 Er2 N26 O10 W2 -","2","1","","Kumar, Kunal; Stefanczyk, Olaf; Nakabayashi, Koji; Imoto, Kenta; Ohkoshi, Shin-ichi","Studies of Er(iii)‒W(v) compounds showing nonlinear optical activity and single-molecule magnetic properties","CrystEngComm","2019","21","39","5882","","10.1039/C9CE00822E","","","0.71075","MoKα","","0.037","0.0338","","","0.0529","0.0536","","","","","","1.101","","","","has coordinates,has disorder","223568","2020-10-21","18:00:00","" "7233265","6.9129","0.0009","7.248","0.0009","14.7369","0.0019","76.471","0.005","81.089","0.005","64.077","0.005","644.49","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 Cl4 F4 N4 O2 -","- C24 H14 Cl4 F4 N4 O2 -","- C24 H14 Cl4 F4 N4 O2 -","1","0.5","","Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Noncovalent interactions in the design of bis-azo dyes","CrystEngComm","2019","21","34","5032","","10.1039/C9CE00956F","","","0.71073","MoKα","","0.0703","0.0418","","","0.0966","0.1113","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233266","5.9287","0.0004","7.2856","0.0005","14.804","0.0009","97.067","0.002","95.028","0.002","112.098","0.002","581.7","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H8 Cl4 F6 N4 -","- C22 H8 Cl4 F6 N4 -","- C22 H8 Cl4 F6 N4 -","1","0.5","","Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Noncovalent interactions in the design of bis-azo dyes","CrystEngComm","2019","21","34","5032","","10.1039/C9CE00956F","","","0.71073","MoKα","","0.0409","0.0324","","","0.0766","0.0811","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233267","12.2519","0.0004","7.2378","0.0003","13.8051","0.0005","90","","112.02","0.001","90","","1134.89","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 Cl4 F4 N4 -","- C22 H10 Cl4 F4 N4 -","- C44 H20 Cl8 F8 N8 -","2","0.5","","Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Noncovalent interactions in the design of bis-azo dyes","CrystEngComm","2019","21","34","5032","","10.1039/C9CE00956F","","","0.71073","MoKα","","0.0356","0.031","","","0.0875","0.0922","","","","","","1.064","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233268","5.9278","0.0009","7.2851","0.0011","15.889","0.003","97.953","0.005","97.431","0.005","111.124","0.004","621.86","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 Cl4 F4 N4 -","- C24 H14 Cl4 F4 N4 -","- C24 H14 Cl4 F4 N4 -","1","0.5","","Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Noncovalent interactions in the design of bis-azo dyes","CrystEngComm","2019","21","34","5032","","10.1039/C9CE00956F","","","0.71073","MoKα","","0.0638","0.039","","","0.0812","0.0903","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233269","9.4437","0.0018","12.112","0.002","12.277","0.002","89.884","0.006","79.464","0.007","68.789","0.006","1283.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N2 O6 Zn -","- C29 H23 N2 O6 Zn -","- C58 H46 N4 O12 Zn2 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.0415","0.0307","","","0.0756","0.0796","","","","","","1.013","","","","has coordinates","223528","2020-10-21","18:00:00","" "7233270","9.2538","0.0019","12.411","0.003","12.462","0.003","90.28","0.007","100.334","0.007","110.73","0.006","1313.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N2 O6 Zn -","- C29 H23 N2 O6 Zn -","- C58 H46 N4 O12 Zn2 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.0545","0.0433","","","0.1049","0.1131","","","","","","1.043","","","","has coordinates,has disorder","223528","2020-10-21","18:00:00","" "7233271","12.6345","0.0012","12.9723","0.0014","16.388","0.0017","75.775","0.003","85.999","0.003","75.114","0.002","2516.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H46 N2 O12 Zn2 -","- C57 H46 N2 O12 Zn2 -","- C114 H92 N4 O24 Zn4 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.0943","0.0553","","","0.1193","0.1346","","","","","","1.019","","","","has coordinates","223528","2020-10-21","18:00:00","" "7233272","12.9","0.009","17.379","0.012","19.453","0.013","107.447","0.009","107.199","0.01","98.981","0.009","3828","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H48 N2 O12 Zn2 -","- C64 H48 N2 O12 Zn2 -","- C128 H96 N4 O24 Zn4 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.1206","0.0587","","","0.1614","0.2","","","","","","0.879","","","","has coordinates","223528","2020-10-21","18:00:00","" "7233273","8.831","0.002","12.567","0.003","13.429","0.003","94.747","0.008","100.867","0.008","109.277","0.007","1364.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22.5 N2.5 O6 Zn -","- C29 H22.5 N2.5 O6 Zn -","- C58 H45 N5 O12 Zn2 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.086","0.0514","","","0.1289","0.1484","","","","","","1.019","","","","has coordinates","223528","2020-10-21","18:00:00","" "7233274","9.0045","0.001","12.3297","0.0015","12.9229","0.0014","93.075","0.004","108.765","0.003","99.295","0.004","1332","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23.5 N1.5 O6 Zn -","- C31 H23.5 N1.5 O6 Zn -","- C62 H47 N3 O12 Zn2 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.0521","0.0409","","","0.1094","0.1166","","","","","","1.077","","","","has coordinates","223528","2020-10-21","18:00:00","" "7233275","17.3785","0.0005","15.1256","0.0004","22.8088","0.0006","90","","90","","90","","5995.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H33 Cu2 N5 O13 -","- C24 H33 Cu2 N5 O13 -","- C192 H264 Cu16 N40 O104 -","8","1","","Iman, Khushboo; Shahid, M.; Khan, M. Shahnawaz; Ahmad, Musheer; Sama, Farasha","Topology, magnetism and dye adsorption properties of metal organic frameworks (MOFs) synthesized from bench chemicals","CrystEngComm","2019","21","35","5299","","10.1039/C9CE01041F","","","0.71073","MoKα","","0.0572","0.0373","","","0.0922","0.1117","","","","","","1.116","","","","has coordinates,has disorder","223704","2020-10-21","18:00:00","" "7233276","7.4296","0.0002","8.7967","0.0003","10.0511","0.0003","105.965","0.001","95.073","0.001","109.261","0.001","584.48","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl2 Co N4 O10 -","- C20 H20 Cl2 Co N4 O10 -","- C20 H20 Cl2 Co N4 O10 -","1","0.5","","Iman, Khushboo; Shahid, M.; Khan, M. Shahnawaz; Ahmad, Musheer; Sama, Farasha","Topology, magnetism and dye adsorption properties of metal organic frameworks (MOFs) synthesized from bench chemicals","CrystEngComm","2019","21","35","5299","","10.1039/C9CE01041F","","","0.71073","MoKα","","0.0315","0.0275","","","0.0646","0.0672","","","","","","1.0715","","","","has coordinates","223704","2020-10-21","18:00:00","" "7233278","10.186","0.002","7.5771","0.0015","38.191","0.008","90","","90","","90","","2947.6","1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H40 N4 O4 -","- C34 H40 N4 O4 -","- C136 H160 N16 O16 -","4","0.5","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug–drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.0691","0.0583","","","0.1389","0.1464","","","","","","1.083","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233279","7.536","0.0015","8.1498","0.0016","28.44","0.006","90","","94.9","0.03","90","","1740.3","0.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N3 O2 -","- C19 H25 N3 O2 -","- C76 H100 N12 O8 -","4","1","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug–drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.0732","0.0604","","","0.1486","0.16","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233280","10.827","0.002","7.5021","0.0015","21.322","0.004","90","","97.39","0.03","90","","1717.5","0.6","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl N3 O2 -","- C18 H22 Cl N3 O2 -","- C72 H88 Cl4 N12 O8 -","4","1","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug–drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.044","0.0372","","","0.0945","0.0991","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233281","10.303","0.002","7.6173","0.0015","38.517","0.008","90","","90","","90","","3022.9","1","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H34 Cl2 N4 O4 -","- C32 H34 Cl2 N4 O4 -","- C128 H136 Cl8 N16 O16 -","4","0.5","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug–drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.0771","0.0634","","","0.1529","0.1634","","","","","","1.089","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233294","7.7164","0.0007","9.6706","0.0009","11.0779","0.0011","68.296","0.001","83.965","0.003","85.654","0.003","763.19","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 N2 O8 Zn -","- C14 H14 N2 O8 Zn -","- C28 H28 N4 O16 Zn2 -","2","1","","Zhou, Ai-Mei; Wei, Han; Gao, Wei; Liu, Jie-Ping; Zhang, Xiu-Mei","Two 2D multiresponsive luminescence coordination polymers for selective sensing of Fe3+, CrVI anions and TNP in aqueous medium","CrystEngComm","2019","21","34","5185","","10.1039/C9CE01045A","","","1.54178","CuKα","","0.0873","0.0576","","","0.1233","0.1446","","","","","","1.007","","","","has coordinates","223718","2020-10-21","18:00:00","" "7233295","7.464","0.0007","10.1801","0.0009","13.3769","0.0011","70.626","0.001","77.55","0.003","74.234","0.001","913.95","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Cd N2 O11 -","- C14 H20 Cd N2 O11 -","- C28 H40 Cd2 N4 O22 -","2","1","","Zhou, Ai-Mei; Wei, Han; Gao, Wei; Liu, Jie-Ping; Zhang, Xiu-Mei","Two 2D multiresponsive luminescence coordination polymers for selective sensing of Fe3+, CrVI anions and TNP in aqueous medium","CrystEngComm","2019","21","34","5185","","10.1039/C9CE01045A","","","0.71073","MoKα","","0.1405","0.1106","","","0.2684","0.2841","","","","","","1.088","","","","has coordinates","223718","2020-10-21","18:00:00","" "7233296","17.903","0.003","16.7851","0.0016","21.149","0.002","90","","96.467","0.004","90","","6314.9","1.4","110","2","110","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C49 H25 Gd N4 O10 Zn -","- C49 H25 Gd N4 O10 Zn -","- C196 H100 Gd4 N16 O40 Zn4 -","4","1","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Goswami, Soumyabrata; Phukan, Nithi","Location controlled symmetry reduction: paradigm of an open metalloporphyrin framework based on the tetracarboxy porphyrin linker","CrystEngComm","2019","21","35","5216","","10.1039/C9CE01107B","","","0.71073","MoKα","","0.1528","0.0892","","","0.2385","0.2851","","","","","","1.061","","","","has coordinates","223702","2020-10-21","18:00:00","" "7233297","12.4174","0.0002","18.7937","0.0004","18.6491","0.0004","90","","90.148","0.003","90","","4352.11","0.15","295","2","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C92 H96 N24 -","- C92 H96 N24 -","- C184 H192 N48 -","2","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.0945","0.0634","","","0.1875","0.2027","","","","","","0.963","","","","has coordinates","223697","2020-10-21","18:00:00","" "7233298","7.85","0.01","16.3","0.01","27.56","0.01","90","","91.9","0.01","90","","3525","5","293","2","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 N12 -","- C38 H32 N12 -","- C152 H128 N48 -","4","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.3751","0.0714","","","0.1424","0.2477","","","","","","0.624","","","","has coordinates","223697","2020-10-21","18:00:00","" "7233299","6.1192","0.0006","17.6034","0.0005","18.3391","0.0006","90","","90","","90","","1975.5","0.2","293","2","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 N6 -","- C21 H16 N6 -","- C84 H64 N24 -","4","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.1358","0.0781","","","0.2019","0.2643","","","","","","1.028","","","","has coordinates","223697","2020-10-21","18:00:00","" "7233300","7.8491","0.0003","18.6184","0.0005","15.9194","0.0005","90","","99.823","0.003","90","","2292.32","0.13","295","2","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N6 -","- C25 H28 N6 -","- C100 H112 N24 -","4","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.1314","0.094","","","0.2666","0.2969","","","","","","1.085","","","","has coordinates,has disorder","223697","2020-10-21","18:00:00","" "7233301","5.2981","0.0003","11.751","0.0006","13.3334","0.0006","90","","90","","90","","830.11","0.07","150","2","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0686","0.0457","","","0.0928","0.1023","","","","","","1.072","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233302","8.0209","0.0003","21.4464","0.0006","11.1543","0.0003","90","","98.181","0.001","90","","1899.23","0.1","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 Cu N10 O6 -","- C44 H32 Cu N10 O6 -","- C88 H64 Cu2 N20 O12 -","2","0.5","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0627","0.0447","","","0.0932","0.0995","","","","","","1.075","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233303","8.7934","0.0011","14.5059","0.0017","12.1149","0.0014","90","","105.893","0.004","90","","1486.3","0.3","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl2 N3 Zn -","- C16 H11 Cl2 N3 Zn -","- C64 H44 Cl8 N12 Zn4 -","4","1","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.08","0.0476","","","0.1018","0.1149","","","","","","1.032","","","","has coordinates","223716","2020-10-21","18:00:00","" "7233304","11.9823","0.0004","13.3952","0.0005","21.6046","0.0008","90","","92.769","0.001","90","","3463.6","0.2","150","2","149.99","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N3 -","- C16 H11 N3 -","- C192 H132 N36 -","12","3","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.098","0.0533","","","0.1178","0.141","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233305","7.8817","0.0004","8.3565","0.0004","13.6764","0.0007","84.043","0.002","89.244","0.002","63.942","0.001","804.31","0.07","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cu N5 O6 -","- C16 H11 Cu N5 O6 -","- C32 H22 Cu2 N10 O12 -","2","1","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0378","0.0285","","","0.0631","0.0666","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233306","27.835","0.004","5.1802","0.0007","6.7211","0.0009","90","","95.439","0.003","90","","964.8","0.2","150","2","150.01","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H16 Cl2 N4 Zn -","- C22 H16 Cl2 N4 Zn -","- C44 H32 Cl4 N8 Zn2 -","2","0.5","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0382","0.0317","","","0.0632","0.0654","","","","","","0.96","","","","has coordinates","223716","2020-10-21","18:00:00","" "7233307","17.49","0.0003","21.7156","0.0003","16.5786","0.0003","90","","90","","90","","6296.65","0.18","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C31 H24 In N O7 -","- C31 H24 In N O7 -","- C248 H192 In8 N8 O56 -","8","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","1.54184","CuKα","","0.0672","0.0604","","","0.1744","0.1817","","","","","","1.097","","","","has coordinates","223715","2020-10-21","18:00:00","" "7233308","17.5673","0.0003","25.7031","0.0005","24.4991","0.0004","90","","91.155","0.001","90","","11059.9","0.3","173","2","173","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C28 H15 In O8 -","- C28 H15 In O8 -","- C224 H120 In8 O64 -","8","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","1.54184","CuKα","","0.0681","0.0641","","","0.181","0.1874","","","","","","1.006","","","","has coordinates","223715","2020-10-21","18:00:00","" "7233309","9.0282","0.0002","15.3282","0.0003","26.6329","0.0005","90.906","0.002","91.479","0.002","98.927","0.002","3639.03","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H38 In2 N2 O16 -","- C66 H38 In2 N2 O16 -","- C132 H76 In4 N4 O32 -","2","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","0.71073","MoKα","","0.0975","0.0907","","","0.2171","0.2203","","","","","","1.181","","","","has coordinates","223715","2020-10-21","18:00:00","" "7233310","8.5776","0.0001","26.9064","0.0005","15.5158","0.0002","90","","91.233","0.001","90","","3580.1","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 In N2 O8 -","- C31 H25 In N2 O8 -","- C124 H100 In4 N8 O32 -","4","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","1.54184","CuKα","","0.0368","0.0346","","","0.1007","0.1022","","","","","","1.075","","","","has coordinates","223715","2020-10-21","18:00:00","" "7233311","7.9403","0.0007","17.1323","0.0014","14.1867","0.0012","90","","103.315","0.003","90","","1878","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 O3 Se -","- C23 H16 O3 Se -","- C92 H64 O12 Se4 -","4","1","","Hua, Jiawei; Fang, Zheng; Xu, Jia; Bian, Mixue; Liu, ChengKou; He, Wei; Zhu, Ning; Yang, Zhao; Guo, Kai","Electrochemical oxidative cyclization of activated alkynes with diselenides or disulfides: access to functionalized coumarins or quinolinones","Green Chemistry","2019","21","17","4706","","10.1039/C9GC02131K","","","1.34139","GaKα","","0.0406","0.0383","","","0.1009","0.102","","","","","","1.173","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233315","16.5074","0.0005","16.5074","0.0005","36.8034","0.0014","90","","90","","90","","10028.7","0.6","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C49 H65 N3 O14 -","- C49 H65 N3 O14 -","- C392 H520 N24 O112 -","8","1","","Grepioni, F.; Braga, D.; Chelazzi, L.; Shemchuk, O.; Maffei, P.; Sforzini, A.; Viscomi, G. C.","Improving solubility and storage stability of rifaximin via solid-state solvation with Transcutol®","CrystEngComm","2019","21","35","5278","","10.1039/C9CE00567F","","","0.71073","MoKα","","0.2188","0.0907","","","0.1148","0.1481","","","","","","1.069","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233319","14.633","0.005","14.936","0.005","8.352","0.003","90","","104.445","0.005","90","","1767.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N6 Ni O12 -","- C34 H30 N6 Ni O12 -","- C68 H60 N12 Ni2 O24 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0645","0.0379","","","0.0862","0.0976","","","","","","1.008","","","","has coordinates","223707","2020-10-21","18:00:00","" "7233320","11.4324","0.0016","11.544","0.003","11.2605","0.0016","90","","90.022","0.002","90","","1486.1","0.5","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N4 Ni O10 -","- C28 H22 N4 Ni O10 -","- C56 H44 N8 Ni2 O20 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0998","0.0551","","","0.1351","0.1602","","","","","","1.029","","","","has coordinates","223707","2020-10-21","18:00:00","" "7233321","8.2076","0.0007","10.393","0.0009","10.7793","0.0009","89.31","0.001","68.817","0.001","79.981","0.001","842.99","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N6 Ni O12 -","- C34 H30 N6 Ni O12 -","- C34 H30 N6 Ni O12 -","1","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0392","0.0363","","","0.0957","0.0983","","","","","","1.03","","","","has coordinates","223707","2020-10-21","18:00:00","" "7233322","11.8498","0.0005","23.5626","0.001","9.8007","0.0004","90","","113.262","0.001","90","","2514.02","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Cl2 N8 Ni O8 -","- C54 H44 Cl2 N8 Ni O8 -","- C108 H88 Cl4 N16 Ni2 O16 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0595","0.0418","","","0.0981","0.107","","","","","","1.011","","","","has coordinates","223707","2020-10-21","18:00:00","" "7233323","17.734","0.0007","11.1559","0.0007","14.5549","0.0008","90","","104.509","0.002","90","","2787.7","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H25 N5 Ni O10 -","- C28 H25 N5 Ni O10 -","- C112 H100 N20 Ni4 O40 -","4","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0461","0.0376","","","0.0838","0.0884","","","","","","1.031","","","","has coordinates","223707","2020-10-21","18:00:00","" "7233324","19.736","0.002","8.6412","0.0009","17.026","0.0017","90","","113.939","0.002","90","","2653.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N4 Ni O7 -","- C29 H26 N4 Ni O7 -","- C116 H104 N16 Ni4 O28 -","4","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.126","0.0553","","","0.0988","0.1235","","","","","","1.015","","","","has coordinates","223707","2020-10-21","18:00:00","" "7233325","11.6915","0.0004","23.6757","0.0008","10.0123","0.0004","90","","109.32","0.001","90","","2615.38","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 N8 Ni O10 -","- C56 H50 N8 Ni O10 -","- C112 H100 N16 Ni2 O20 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.049","0.0389","","","0.0927","0.1018","","","","","","1.053","","","","has coordinates","223707","2020-10-21","18:00:00","" "7233326","11.812","0.0005","12.7047","0.0005","11.6302","0.0005","90","","115.925","0.001","90","","1569.68","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 N4 Ni O12 -","- C28 H36 N4 Ni O12 -","- C56 H72 N8 Ni2 O24 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.041","0.0342","","","0.1009","0.106","","","","","","1.003","","","","has coordinates","223707","2020-10-21","18:00:00","" "7233327","10.296","0.002","13.49","0.003","22.862","0.004","90","","98.471","0.005","90","","3140.7","1.1","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N4 Ni O8 -","- C34 H26 N4 Ni O8 -","- C136 H104 N16 Ni4 O32 -","4","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.1055","0.0543","","","0.1179","0.1387","","","","","","1.011","","","","has coordinates","223707","2020-10-21","18:00:00","" "7233328","7.9733","0.0007","13.0731","0.001","15.2385","0.0013","96.988","0.002","96.414","0.002","104.434","0.002","1510.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N5 Ni O12 -","- C28 H29 N5 Ni O12 -","- C56 H58 N10 Ni2 O24 -","2","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.1082","0.0545","","","0.1078","0.1314","","","","","","1.001","","","","has coordinates","223707","2020-10-21","18:00:00","" "7233329","12.803","0.009","4.63","0.003","13.233","0.009","90","","109.94","0.02","90","","737.4","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 I O -","- C7 H7 I O -","- C28 H28 I4 O4 -","4","1","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.048","0.0296","","","0.0612","0.0674","","","","","","1.028","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00","" "7233330","8.2382","0.0014","8.6956","0.0014","11.674","0.002","83.844","0.006","70.803","0.005","79.456","0.005","775.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 Cl2 O -","- C7 H6 Cl2 O -","- C28 H24 Cl8 O4 -","4","2","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0809","0.0585","","","0.1404","0.1599","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233331","7.182","0.004","14.93","0.009","15.398","0.009","107.741","0.018","97.263","0.018","100.108","0.019","1519.4","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 Cl2 O -","- C7 H6 Cl2 O -","- C56 H48 Cl16 O8 -","8","4","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0777","0.048","","","0.1215","0.1431","","","","","","1.056","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00","" "7233332","7.0731","0.0017","7.5134","0.0019","21.137","0.005","92.27","0.006","94.494","0.007","94.926","0.007","1114.5","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 Cl2 O -","- C7 H6 Cl2 O -","- C42 H36 Cl12 O6 -","6","3","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0942","0.0513","","","0.1019","0.1206","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233333","6.0322","0.0003","16.5564","0.001","22.5967","0.0009","90","","90","","90","","2256.8","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 I O -","- C7 H6 I O -","- C84 H72 I12 O12 -","12","3","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0351","0.0284","","","0.0663","0.0701","","","","","","1.046","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00","" "7233334","4.2512","0.0009","14.458","0.003","13.5","0.003","90","","97.411","0.008","90","","822.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Br2 O -","- C7 H6 Br2 O -","- C28 H24 Br8 O4 -","4","1","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0703","0.0369","","","0.0711","0.0817","","","","","","1.051","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00","" "7233335","8.3294","0.0006","9.6074","0.0007","16.413","0.0011","86.861","0.005","84.758","0.005","74.072","0.006","1257.12","0.16","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C25 H31 N3 O6 -","- C25 H31 N3 O6 -","- C50 H62 N6 O12 -","2","2","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Formation of supramolecular single and double helix-like structures from designed tripeptides","CrystEngComm","2019","21","37","5618","","10.1039/C9CE01168D","","","0.71073","MoKα","","0.0627","0.0544","","","0.1522","0.1694","","","","","","0.787","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233336","18.5349","0.0008","8.8497","0.0003","14.3748","0.0005","90","","91.092","0.004","90","","2357.45","0.15","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C96 H116 N12 O24 -","4","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Formation of supramolecular single and double helix-like structures from designed tripeptides","CrystEngComm","2019","21","37","5618","","10.1039/C9CE01168D","","","0.71073","MoKα","","0.0608","0.0546","","","0.1562","0.1648","","","","","","0.817","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233337","14.6108","0.0006","17.6065","0.0009","31.2383","0.0016","90","","97.693","0.002","90","","7963.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H82 Dy4 N15 O20.5 -","- C70 H75 Dy4 N13 O20 -","- C280 H300 Dy16 N52 O80 -","4","1","","Wang, Hui-Sheng; Chen, Yong; Hu, Zhao-Bo; Yin, Cheng-Ling; Zhang, Zaichao; Pan, Zhi-Quan","Modulation of the directions of the anisotropic axes of DyIII ions through utilizing two kinds of organic ligands or replacing DyIII ions by FeIII ions","CrystEngComm","2019","21","36","5429","","10.1039/C9CE00894B","","","0.71073","MoKα","","0.1191","0.0655","","","0.1026","0.1135","","","","","","1.099","","","","has coordinates","223700","2020-10-21","18:00:00","" "7233338","57.391","0.003","13.9533","0.0006","24.8627","0.001","90","","115.263","0.001","90","","18005.7","1.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C79 H93 Cl4 Dy2 Fe4 N16 O21.5 -","- C69 H71 Cl4 Dy2 Fe4 N11 O18 -","- C552 H568 Cl32 Dy16 Fe32 N88 O144 -","8","1","","Wang, Hui-Sheng; Chen, Yong; Hu, Zhao-Bo; Yin, Cheng-Ling; Zhang, Zaichao; Pan, Zhi-Quan","Modulation of the directions of the anisotropic axes of DyIII ions through utilizing two kinds of organic ligands or replacing DyIII ions by FeIII ions","CrystEngComm","2019","21","36","5429","","10.1039/C9CE00894B","","","0.71073","MoKα","","0.1204","0.0695","","","0.1332","0.1492","","","","","","1.099","","","","has coordinates","223700","2020-10-21","18:00:00","" "7233345","13.2777","0.0011","16.2811","0.0014","14.0218","0.0012","90","","97.395","0.001","90","","3006","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cu N11 O4 Tb -","- C27 H24 Cu N11 O4 Tb -","- C108 H96 Cu4 N44 O16 Tb4 -","4","1","","Kong, Jiao-Jiao; Zhang, Jia-Chen; Jiang, Yu-Xuan; Tao, Jin-Xia; Wang, Wen-Yan; Huang, Xing-Cai","Two-dimensional heterometallic CuIILnIII (Ln = Tb and Dy) coordination polymers bridged by dicyanamides showing slow magnetic relaxation behavior","CrystEngComm","2019","21","34","5145","","10.1039/C9CE00673G","","","0.71073","MoKα","","0.0327","0.0273","","","0.0723","0.0751","","","","","","1.032","","","","has coordinates","223713","2020-10-21","18:00:00","" "7233346","13.244","0.011","16.166","0.014","14.029","0.012","90","","97.826","0.014","90","","2976","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cu Gd N11 O4 -","- C27 H24 Cu Gd N11 O4 -","- C108 H96 Cu4 Gd4 N44 O16 -","4","1","","Kong, Jiao-Jiao; Zhang, Jia-Chen; Jiang, Yu-Xuan; Tao, Jin-Xia; Wang, Wen-Yan; Huang, Xing-Cai","Two-dimensional heterometallic CuIILnIII (Ln = Tb and Dy) coordination polymers bridged by dicyanamides showing slow magnetic relaxation behavior","CrystEngComm","2019","21","34","5145","","10.1039/C9CE00673G","","","0.71073","MoKα","","0.0815","0.049","","","0.0927","0.1031","","","","","","1.025","","","","has coordinates","223713","2020-10-21","18:00:00","" "7233347","13.2179","0.0017","16.209","0.002","13.9594","0.0018","90","","97.364","0.002","90","","2966.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cu Dy N11 O4 -","- C27 H24 Cu Dy N11 O4 -","- C108 H96 Cu4 Dy4 N44 O16 -","4","1","","Kong, Jiao-Jiao; Zhang, Jia-Chen; Jiang, Yu-Xuan; Tao, Jin-Xia; Wang, Wen-Yan; Huang, Xing-Cai","Two-dimensional heterometallic CuIILnIII (Ln = Tb and Dy) coordination polymers bridged by dicyanamides showing slow magnetic relaxation behavior","CrystEngComm","2019","21","34","5145","","10.1039/C9CE00673G","","","0.71073","MoKα","","0.0486","0.037","","","0.0875","0.0917","","","","","","0.987","","","","has coordinates","223713","2020-10-21","18:00:00","" "7233348","8.1484","0.0006","11.1597","0.0009","12.1161","0.0009","64.235","0.003","87.836","0.003","81.558","0.003","981.06","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H34 Cl2 Cu2 N4 O8 P2 -","- C38 H34 Cl2 Cu2 N4 O8 P2 -","- C38 H34 Cl2 Cu2 N4 O8 P2 -","1","0.5","","Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia","Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D","CrystEngComm","2019","21","37","5595","","10.1039/C9CE00943D","","","0.71073","MoKα","","0.0319","0.0263","","","0.0779","0.0895","","","","","","1.171","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233349","10.5412","0.0004","14.2159","0.0006","16.8559","0.0006","71.294","0.001","88.816","0.001","86.636","0.001","2388.35","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H43 Ag2 Cl2 N7 O8 P2 -","- C44 H43 Ag2 Cl2 N7 O8 P2 -","- C88 H86 Ag4 Cl4 N14 O16 P4 -","2","1","","Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia","Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D","CrystEngComm","2019","21","37","5595","","10.1039/C9CE00943D","","","0.71073","MoKα","","0.0454","0.0395","","","0.1034","0.1141","","","","","","1.106","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26","" "7233350","9.1529","0.0005","18.4467","0.001","20.8604","0.0013","90","","101.679","0.002","90","","3449.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl2 Cu2 N2 O8 P2 -","- C34 H28 Cl2 Cu2 N2 O8 P2 -","- C136 H112 Cl8 Cu8 N8 O32 P8 -","4","1","","Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia","Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D","CrystEngComm","2019","21","37","5595","","10.1039/C9CE00943D","","","0.71073","MoKα","","0.0308","0.0246","","","0.0726","0.0916","","","","","","1.021","","","","has coordinates","223499","2020-10-21","18:00:00","" "7233351","9.2146","0.0004","22.3264","0.0011","20.6049","0.001","90","","102.501","0.002","90","","4138.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Ag2 Cl6 N2 O8 P2 -","- C36 H32 Ag2 Cl6 N2 O8 P2 -","- C144 H128 Ag8 Cl24 N8 O32 P8 -","4","1","","Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia","Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D","CrystEngComm","2019","21","37","5595","","10.1039/C9CE00943D","","","0.71073","MoKα","","0.0586","0.0421","","","0.1251","0.1417","","","","","","0.992","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233356","6.885","0.0011","13.936","0.002","24.919","0.003","90","","102.6","0.005","90","","2333.4","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N5 O8 -","- C26 H19 N5 O8 -","- C104 H76 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.108","0.0853","","","0.253","0.2734","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233357","8.9809","0.0006","7.3118","0.0005","38.083","0.003","90","","94.095","0.001","90","","2494.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br N5 O8 -","- C26 H18 Br N5 O8 -","- C104 H72 Br4 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0451","0.0358","","","0.0823","0.0858","","","","","","1.085","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233358","7.234","0.002","9.378","0.003","35.927","0.011","89.798","0.006","88.075","0.006","87.452","0.006","2433.5","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N5 O9 -","- C26 H21 N5 O9 -","- C104 H84 N20 O36 -","4","2","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.1169","0.0746","","","0.168","0.1837","","","","","","1.121","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233359","13.6779","0.0011","18.3499","0.0014","17.2493","0.0014","90","","102.983","0.003","90","","4218.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H32 N8 O16 -","- C47 H32 N8 O16 -","- C188 H128 N32 O64 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0648","0.0474","","","0.1378","0.155","","","","","","1.004","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233360","7.037","0.003","9.676","0.004","19.738","0.008","87.593","0.011","82.035","0.011","84.659","0.013","1324.6","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H21 N5 O8 -","- C31 H21 N5 O8 -","- C62 H42 N10 O16 -","2","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.1522","0.1019","","","0.2847","0.3186","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233361","8.8909","0.0011","7.8185","0.001","36.688","0.005","90","","96.018","0.004","90","","2536.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N6 O10 -","- C26 H18 N6 O10 -","- C104 H72 N24 O40 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.081","0.0748","","","0.1902","0.1959","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233362","21.064","0.0017","7.3594","0.0005","17.0447","0.0013","90","","112.32","0.002","90","","2444.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N6 O10 -","- C26 H18 N6 O10 -","- C104 H72 N24 O40 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0633","0.0391","","","0.0861","0.0984","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233363","8.9784","0.0015","7.2372","0.0012","38.16","0.007","90","","94.321","0.004","90","","2472.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br N5 O8 -","- C26 H18 Br N5 O8 -","- C104 H72 Br4 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0476","0.0426","","","0.1146","0.1189","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233364","21.301","0.005","7.2862","0.0013","17.188","0.003","90","","113.047","0.005","90","","2454.7","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Br N5 O8 -","- C26 H18 Br N5 O8 -","- C104 H72 Br4 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.1062","0.0564","","","0.1188","0.1378","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233365","8.931","0.001","7.2239","0.0008","38.218","0.005","90","","94.402","0.002","90","","2458.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl N5 O8 -","- C26 H18 Cl N5 O8 -","- C104 H72 Cl4 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0522","0.0371","","","0.0902","0.0981","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233366","6.8096","0.0002","7.953","0.0003","14.0826","0.0004","94.042","0.002","103.561","0.002","103.726","0.003","713.78","0.04","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","theobromine 2-hydroxybenzoic acid","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C28 H28 N8 O10 -","2","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Theobromine cocrystals with monohydroxybenzoic acids – synthesis, X-ray structural analysis, solubility and thermal properties","CrystEngComm","2019","21","38","5721","","10.1039/C9CE01020C","","x-ray","1.54184","CuKα","","0.0372","0.0352","","","0.0982","0.1003","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233367","6.4812","0.0002","23.7503","0.0007","9.3288","0.0003","90","","101.841","0.003","90","","1405.43","0.08","149.95","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","theobromine 3-hydroxybenzoic acid","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C56 H56 N16 O20 -","4","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Theobromine cocrystals with monohydroxybenzoic acids – synthesis, X-ray structural analysis, solubility and thermal properties","CrystEngComm","2019","21","38","5721","","10.1039/C9CE01020C","","x-ray","1.54184","CuKα","","0.043","0.0377","","","0.0976","0.1016","","","","","","1.077","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233368","7.0166","0.0002","12.4761","0.0004","24.645","0.0008","99.639","0.003","91.74","0.003","99.464","0.003","2094.29","0.12","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","theobromine di(4-hydroxybenzoic acid) monohydrate","","- C21 H22 N4 O9 -","- C21 H22 N4 O9 -","- C84 H88 N16 O36 -","4","2","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Theobromine cocrystals with monohydroxybenzoic acids ‒ synthesis, X-ray structural analysis, solubility and thermal properties","CrystEngComm","2019","21","38","5721","","10.1039/C9CE01020C","","x-ray","1.54184","CuKα","","0.0525","0.0452","","","0.1325","0.1388","","","","","","1.067","","","","has coordinates","223724","2020-10-21","18:00:00","" "7233375","19.766","0.0014","19.766","0.0014","7.7429","0.0006","90","","90","","90","","3025.1","0.4","296","2","296","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C120 H104 N24 O32 -","8","1","","Shi, Taoda; Teng, Shenghan; Wei, Yajie; Guo, Xin; Hu, Wenhao","Synthesis of spiro[2,3-dihydrofuran-3,3′-oxindole] derivatives via a multi-component cascade reaction of α-diazo esters, water, isatins and malononitrile/ethyl cyanoacetate","Green Chemistry","2019","21","18","4936","","10.1039/C9GC01751H","","","0.71073","MoKα","","0.0414","0.0379","","","0.0976","0.1001","","","","","","1.036","","","","has coordinates","224631","2020-10-21","18:00:00","" "7233394","8.3364","0.0001","24.4555","0.0003","11.4028","0.0001","90","","90.717","0.001","90","","2324.52","0.04","173.01","0.1","173.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H28 I N O3 -","- C25 H28 I N O3 -","- C100 H112 I4 N4 O12 -","4","1","","Shang, Shufang; Li, Ruian; Ping, Linjun; Luo, Wenzhen; Hai, Mingtan; Yang, Zhou; Wang, Dong; Cao, Hui; He, Wanli","Large-sized benzo[e]indolium salt single crystals with high optical nonlinearity","CrystEngComm","2019","21","37","5626","","10.1039/C9CE01082C","","x-ray","1.54184","CuKα","","0.0256","0.0253","","","0.0613","0.0618","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233395","8.77916","0.00011","19.3848","0.0002","11.98474","0.00015","90","","89.748","0.0011","90","","2039.57","0.04","172.97","0.1","172.97","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H24 I N O2 -","- C24 H24 I N O2 -","- C96 H96 I4 N4 O8 -","4","1","","Shang, Shufang; Li, Ruian; Ping, Linjun; Luo, Wenzhen; Hai, Mingtan; Yang, Zhou; Wang, Dong; Cao, Hui; He, Wanli","Large-sized benzo[e]indolium salt single crystals with high optical nonlinearity","CrystEngComm","2019","21","37","5626","","10.1039/C9CE01082C","","x-ray","1.54184","CuKα","","0.0307","0.0306","","","0.0784","0.0787","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233396","9.71088","0.00005","16.39216","0.00009","15.37234","0.00009","90","","97.2646","0.0005","90","","2427.36","0.02","223","","223","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H19 N5 S -","- C32 H19 N5 S -","- C128 H76 N20 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0362","0.0346","","","0.0905","0.0919","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233397","9.74862","0.00008","17.91753","0.00015","17.82303","0.00015","90","","92.1261","0.0008","90","","3111.03","0.04","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H24 N6 O4 S -","- C39 H24 N6 O4 S -","- C156 H96 N24 O16 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0414","0.0389","","","0.1042","0.1062","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233398","10.12758","0.00005","16.68174","0.0001","19.48203","0.0001","90","","99.0942","0.0005","90","","3250.03","0.03","223","","223","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 F3 N5 O2 S -","- C40 H24 F3 N5 O2 S -","- C160 H96 F12 N20 O8 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0618","0.0568","","","0.158","0.1623","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233399","9.72297","0.00007","17.69375","0.00011","18.28982","0.00012","90","","94.3128","0.0006","90","","3137.59","0.04","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 N6 O2 S -","- C40 H24 N6 O2 S -","- C160 H96 N24 O8 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0386","0.0357","","","0.092","0.0942","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233400","9.93969","0.00008","17.64482","0.00016","17.57204","0.00014","90","","93.1282","0.0008","90","","3077.26","0.04","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H25 N5 O2 S -","- C39 H25 N5 O2 S -","- C156 H100 N20 O8 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0374","0.0355","","","0.0927","0.0942","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233401","19.109","0.002","19.109","0.002","8.6482","0.0011","90","","90","","120","","2734.8","0.5","120","2","120","2","","","","","","","","5","P 3","P 3","143","","","","- C90 H70 Gd2 N18 O25 -","- C90 H57 Gd2 N18 O25 -","- C90 H57 Gd2 N18 O25 -","1","0.333333","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Ln-MOFs using a compartmental ligand with a unique combination of hard‒soft terminals and their magnetic, gas adsorption and luminescence properties","CrystEngComm","2019","21","37","5665","","10.1039/C9CE01026B","","","0.71073","MoKα","","0.0337","0.0281","","","0.073","0.0752","","","","","","1.079","","","","has coordinates","223501","2020-10-21","18:00:00","" "7233402","19.1877","0.0019","19.1877","0.0019","8.5095","0.0009","90","","90","","120","","2713.2","0.5","120","2","120","2","","","","","","","","5","P 3","P 3","143","","","","- C90 H90 Dy2 N18 O28 -","- C90 H57 Dy2 N18 O28 -","- C90 H57 Dy2 N18 O28 -","1","0.333333","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Ln-MOFs using a compartmental ligand with a unique combination of hard‒soft terminals and their magnetic, gas adsorption and luminescence properties","CrystEngComm","2019","21","37","5665","","10.1039/C9CE01026B","","","0.71073","MoKα","","0.1479","0.0728","","","0.1506","0.1859","","","","","","0.997","","","","has coordinates","223501","2020-10-21","18:00:00","" "7233403","9.5181","0.0002","21.4287","0.0004","7.5942","0.0002","90","","111.404","0.003","90","","1442.09","0.06","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 F3 N O -","- C19 H14 F3 N O -","- C76 H56 F12 N4 O4 -","4","1","","Gao, Cai; Li, Bin; Geng, Xueyang; Zhou, Qianting; Zhang, Xinying; Fan, Xuesen","Two birds with one stone: one-pot simultaneous synthesis of 2,2,2-trifluoroethylphenanthridines and benzochromenones featuring the utilization of the byproduct of Togni's reagent","Green Chemistry","2019","21","18","5113","","10.1039/C9GC02001B","","x-ray","1.54184","CuKα","","0.0583","0.0527","","","0.1379","0.1404","","","","","","1.242","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233404","16.836","0.0014","24.094","0.002","17.7653","0.0015","90","","117.791","0.003","90","","6375.2","0.9","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109 H147 Cd4 N19 Na2 O35 -","- C109 H147 Cd4 N19 Na2 O35 -","- C218 H294 Cd8 N38 Na4 O70 -","2","0.5","","Verma, Pankaj; Singh, Udai P.; Butcher, Ray J.","Luminescent metal organic frameworks for sensing and gas adsorption studies","CrystEngComm","2019","21","36","5470","","10.1039/C9CE00732F","","","0.71073","MoKα","","0.1197","0.0692","","","0.1883","0.2216","","","","","","1.045","","","","has coordinates","223695","2020-10-21","18:00:00","" "7233405","43.6114","0.0018","43.6114","0.0018","43.6114","0.0018","90","","90","","90","","82947","6","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C72 H90 N6 O31 Zn7 -","- C72 H72 N6 O31 Zn7 -","- C1152 H1152 N96 O496 Zn112 -","16","0.0833333","","Verma, Pankaj; Singh, Udai P.; Butcher, Ray J.","Luminescent metal organic frameworks for sensing and gas adsorption studies","CrystEngComm","2019","21","36","5470","","10.1039/C9CE00732F","","","0.71073","MoKα","","0.2533","0.1448","","","0.3452","0.4833","","","","","","1.688","","","","has coordinates","223695","2020-10-21","18:00:00","" "7233406","10.0881","0.0002","10.2574","0.0002","14.2782","0.0003","76.988","0.002","72.988","0.002","82.528","0.002","1373.28","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Cu N4 O7 -","- C30 H26 Cu N4 O7 -","- C60 H52 Cu2 N8 O14 -","2","1","","Zhang, Xiuling; Geng, Longlong; Zhang, Yong-Zheng; Zhang, Da-Shuai; Zhang, Ranhui; Fu, Junna; Gao, Jun; Carozza, Jesse C.; Zhou, Zheng; Han, Haixiang","Construction of Cu-based MOFs with enhanced hydrogenation performance by integrating open electropositive metal sites","CrystEngComm","2019","21","36","5382","","10.1039/C9CE01136F","","","1.54178","CuKα","","0.0411","0.0384","","","0.0995","0.1014","","","","","","1.069","","","","has coordinates","223696","2020-10-21","18:00:00","" "7233407","16.2198","0.0002","10.5608","0.0001","21.3159","0.0002","90","","90","","90","","3651.29","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H28 Cu2 N4 O14 -","- C34 H28 Cu2 N4 O14 -","- C136 H112 Cu8 N16 O56 -","4","0.5","","Zhang, Xiuling; Geng, Longlong; Zhang, Yong-Zheng; Zhang, Da-Shuai; Zhang, Ranhui; Fu, Junna; Gao, Jun; Carozza, Jesse C.; Zhou, Zheng; Han, Haixiang","Construction of Cu-based MOFs with enhanced hydrogenation performance by integrating open electropositive metal sites","CrystEngComm","2019","21","36","5382","","10.1039/C9CE01136F","","","1.54178","CuKα","","0.0546","0.0506","","","0.1522","0.1572","","","","","","1.07","","","","has coordinates,has disorder","223696","2020-10-21","18:00:00","" "7233408","12.5556","0.0011","10.9547","0.0012","26.244","0.003","90","","91.529","0.009","90","","3608.4","0.7","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H12 O -","- C18 H12 O -","- C216 H144 O12 -","12","6","","Tchoń, Daniel; Trzybiński, Damian; Wrona-Piotrowicz, Anna; Makal, Anna","Polymorphism and resulting luminescence properties of 1-acetylpyrene","CrystEngComm","2019","21","38","5845","","10.1039/C9CE01203F","","x-ray","1.54184","CuKα","","0.2173","0.1143","","","0.2825","0.386","","","","","","0.987","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233409","10.4667","0.0006","11.5284","0.0004","10.3816","0.0005","90","","104.218","0.006","90","","1214.32","0.11","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 O -","- C18 H12 O -","- C72 H48 O4 -","4","1","","Tchoń, Daniel; Trzybiński, Damian; Wrona-Piotrowicz, Anna; Makal, Anna","Polymorphism and resulting luminescence properties of 1-acetylpyrene","CrystEngComm","2019","21","38","5845","","10.1039/C9CE01203F","","x-ray","1.54184","CuKα","","0.0671","0.0491","","","0.1293","0.146","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233410","34.3656","0.0014","7.0662","0.0003","9.9016","0.0004","90","","98.266","0.004","90","","2379.47","0.17","100.01","0.1","100.01","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H12 O -","- C18 H12 O -","- C144 H96 O8 -","8","2","","Tchoń, Daniel; Trzybiński, Damian; Wrona-Piotrowicz, Anna; Makal, Anna","Polymorphism and resulting luminescence properties of 1-acetylpyrene","CrystEngComm","2019","21","38","5845","","10.1039/C9CE01203F","","x-ray","1.54184","CuKα","","0.05","0.0482","","","0.1392","0.1413","","","","","","1.096","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233413","16.7161","0.0002","13.9805","0.0001","19.1927","0.0002","90","","105.636","0.001","90","","4319.34","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 Cl2 O4 P2 Pd S -","- C42 H38 Cl2 O4 P2 Pd S -","- C168 H152 Cl8 O16 P8 Pd4 S4 -","4","1","","Yang, Da; Liu, Huan; Liu, Lei; Guo, Wen-Di; Lu, Yong; Liu, Ye","Co-catalysis over a tri-functional ligand modified Pd-catalyst for hydroxycarbonylation of terminal alkynes towards α,β-unsaturated carboxylic acids","Green Chemistry","2019","21","19","5336","","10.1039/C9GC01887E","","x-ray","1.54184","CuKα","","0.0503","0.0469","","","0.1156","0.1177","","","","","","1.044","","","","has coordinates","224612","2020-10-21","18:00:00","" "7233416","18.659","0.007","9.1804","0.0008","20.117","0.003","90","","99.31","0.018","90","","3400.6","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Cl2 Mo N4 O4 -","- C37 H30 Cl2 Mo N4 O4 -","- C148 H120 Cl8 Mo4 N16 O16 -","4","1","","Kia, Reza; Hosseini, Mahsa; Abdolrahimi, Amin; Mahmoudi, Melika","Intermolecular C‒H⋯O and n →π* and short intramolecular σ →π* interactions in the molybdenum(0) tetracarbonyl complex of a very twisted 14-membered tetraazaannulene macrocyclic ligand: structural and computational studies","CrystEngComm","2019","21","35","5222","","10.1039/C9CE01005J","","","0.71073","MoKα","","0.0977","0.0713","","","0.1607","0.1777","","","","","","1.06","","","","has coordinates","223703","2020-10-21","18:00:00","" "7233417","8.5132","0.0002","16.183","0.0003","18.9865","0.0004","90","","97.818","0.002","90","","2591.44","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dapsone acetonitrile hemisolvate","","- C26 H27 N5 O4 S2 -","- C26 H27 N5 O4 S2 -","- C104 H108 N20 O16 S8 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Griesser, Ulrich J.","Experimental and computational approaches to produce and characterise isostructural solvates","CrystEngComm","2019","21","36","5533","","10.1039/C9CE00856J","","x-ray","0.71073","MoKα","K-L~3~","0.0477","0.0393","","","0.0975","0.1056","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233418","8.4167","0.0002","16.3415","0.0003","19.1383","0.0004","90","","95.832","0.002","90","","2618.69","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dapsone nitromethane hemisolvate","","- C25 H27 N5 O6 S2 -","- C25 H27 N5 O6 S2 -","- C100 H108 N20 O24 S8 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Griesser, Ulrich J.","Experimental and computational approaches to produce and characterise isostructural solvates","CrystEngComm","2019","21","36","5533","","10.1039/C9CE00856J","","x-ray","1.54178","CuKα","K-L~3~","0.05","0.0491","","","0.1269","0.1276","","","","","","1.107","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233420","18.5382","0.0005","18.5382","0.0005","6.7599","0.0002","90","","90","","120","","2011.9","0.1","173","","173","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C10 H11 Cu N O5 -","- C10 H11 Cu N O5 -","- C60 H66 Cu6 N6 O30 -","6","0.5","","McHugh, Lauren N.; Olivera Perez, Leonardo J.; Wheatley, Paul S.; Cordes, David B.; Slawin, Alexandra M. Z.; Morris, Russell E.","Synthesis and structural characterisation of the copper MOF: STAM-NMe2","CrystEngComm","2019","21","36","5387","","10.1039/C9CE01035A","","x-ray","0.71073","MoKα","","0.0565","0.0367","","","0.0941","0.0992","","","","","","1.124","","","","has coordinates","223701","2020-10-21","18:00:00","" "7233421","9.2213","0.0016","13.783","0.002","5.0802","0.0008","90","","90","","90","","645.68","0.18","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-amino-3-chloro-2,5,6-trifluoropyridine","","- C5 H2 Cl F3 N2 -","- C5 H2 Cl F3 N2 -","- C20 H8 Cl4 F12 N8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0582","0.0467","","","0.1413","0.1492","","","","","","0.965","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233422","15.0718","0.0007","13.6626","0.0005","7.0649","0.0003","90","","92.519","0.002","90","","1453.4","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-3,5-dichloro-2,6-difluoropyridine","","- C5 H2 Cl2 F2 N2 -","- C5 H2 Cl2 F2 N2 -","- C40 H16 Cl16 F16 N16 -","8","2","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0555","0.0424","","","0.1192","0.1338","","","","","","0.972","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233423","3.6538","0.0003","7.6296","0.0008","20.158","0.002","90","","91.323","0.004","90","","561.8","0.09","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-3,5,6-trifluoropyridine","","- C5 H3 F3 N2 -","- C5 H3 F3 N2 -","- C20 H12 F12 N8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0619","0.0516","","","0.1329","0.1391","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233424","5.0807","0.0005","7.6319","0.0007","8.5518","0.0009","77.722","0.004","89.064","0.005","87.753","0.004","323.75","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-amino-4-chloro-3,5,6-trifluoropyridine","","- C5 H2 Cl F3 N2 -","- C5 H2 Cl F3 N2 -","- C10 H4 Cl2 F6 N4 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0412","0.0303","","","0.0679","0.0758","","","","","","0.988","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233425","12.6301","0.0005","8.1303","0.0003","15.8162","0.0006","90","","106.549","0.002","90","","1556.83","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-amino-5,7-difluoroquinoline 18-crown-6, associate 2:1","","- C30 H36 F4 N4 O6 -","- C30 H36 F4 N4 O6 -","- C60 H72 F8 N8 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0532","0.0404","","","0.1088","0.1224","","","","","","0.994","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233426","15.8794","0.0006","13.2887","0.0006","11.502","0.0004","90","","98.93","0.002","90","","2397.69","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N4-[(9-anthracenyl)methyl]-2,4-diamino-3,5,6-trifluoropyridine 18-crown-6, associate 2:1","","- C52 H52 F6 N6 O6 -","- C52 H52 F6 N6 O6 -","- C104 H104 F12 N12 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0633","0.0445","","","0.1149","0.1398","","","","","","0.997","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233427","8.519","0.0008","12.8724","0.0013","15.611","0.0017","110.573","0.004","98.064","0.004","90.097","0.004","1584.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N4-[(9-anthracenyl)methyl]-2,4-diamino-3,5,6-trifluoropyridine","","- C20 H14 F3 N3 -","- C20 H14 F3 N3 -","- C80 H56 F12 N12 -","4","2","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.1526","0.0978","","","0.2388","0.2623","","","","","","0.913","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233428","19.2435","0.0008","9.9058","0.0004","17.6406","0.0008","90","","119.63","0.002","90","","2923","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-amino-3,5-dichloro-2,6-difluoropyridine 18-crown-6, associate 2:1","","- C22 H28 Cl4 F4 N4 O6 -","- C22 H28 Cl4 F4 N4 O6 -","- C88 H112 Cl16 F16 N16 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0665","0.0474","","","0.1205","0.1348","","","","","","0.989","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233429","22.3524","0.0011","8.0294","0.0003","16.3762","0.0008","90","","109.214","0.002","90","","2775.4","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-amino-4-chloro-3,5,6-trifluoropyridine 18-crown-6, associate 2:1","","- C22 H28 Cl2 F6 N4 O6 -","- C22 H28 Cl2 F6 N4 O6 -","- C88 H112 Cl8 F24 N16 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0664","0.0435","","","0.1298","0.1627","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233430","19.1536","0.001","9.583","0.0005","17.3666","0.0014","90","","118.714","0.002","90","","2795.6","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-amino-3-chloro-2,5,6-trifluoropyridine 18-crown-6, associate 2:1","","- C22 H28 Cl2 F6 N4 O6 -","- C22 H28 Cl2 F6 N4 O6 -","- C88 H112 Cl8 F24 N16 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0634","0.0505","","","0.1389","0.1513","","","","","","1.074","","","","has coordinates,has disorder","223567","2020-10-21","18:00:00","" "7233431","8.722","0.002","16.464","0.004","9.5","0.002","90","","100.139","0.009","90","","1342.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-3,5,6-trifluoropyridine 18-crown-6, associate 2:1","","- C22 H30 F6 N4 O6 -","- C22 H30 F6 N4 O6 -","- C44 H60 F12 N8 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0885","0.0521","","","0.1306","0.1626","","","","","","1.006","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233432","12.5421","0.0005","9.4386","0.0003","14.5435","0.0006","90","","106.472","0.002","90","","1651","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-amino-2-chloro-5,6,8-trifluoroquinoline 18-crown-6, associate 2:1","","- C30 H32 Cl2 F6 N4 O6 -","- C30 H32 Cl2 F6 N4 O6 -","- C60 H64 Cl4 F12 N8 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0683","0.0519","","","0.1495","0.1726","","","","","","0.956","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233454","11.71","0.002","11.89","0.002","12.71","0.003","95.65","0.03","114.28","0.03","111.22","0.03","1438.7","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 Cu2 N6 O40 Si W12 -","- C30 H24 Cu2 N6 O40 Si W12 -","- C30 H24 Cu2 N6 O40 Si W12 -","1","0.5","","Sun, Xiaojuan; Zhang, Jie; Yuan, Xianzhi; Fu, Zhiyong","A silicotungstate-based copper‒viologen hybrid photocatalytic compound for efficient degradation of organic dyes under visible light","CrystEngComm","2019","21","37","5563","","10.1039/C9CE01075K","","","0.71073","MoKα","","0.1169","0.0992","","","0.2369","0.256","","","","","","1.053","","","","has coordinates","223498","2020-10-21","18:00:00","" "7233455","9.337","0.0005","4.60528","0.00024","11.4184","0.0006","90","","82.134","0.005","90","","486.37","0.04","295","","295","","0.02","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1376","","1.12","","","","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233456","9.3394","0.0007","4.57648","0.0003","11.3816","0.0007","90","","82.16","0.006","90","","481.92","0.06","295","","295","","0.36","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1442","","0.96","","","","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233457","9.485","0.0005","3.70468","0.00011","12.9889","0.0007","90","","77.632","0.004","90","","445.82","0.04","295","","295","","0.9","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0905","","1.593","","","","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233458","9.4444","0.0005","3.46902","0.00011","13.1315","0.0007","90","","77.318","0.004","90","","419.73","0.03","295","","295","","2.25","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1113","","1.03","","","","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233459","9.4568","0.0004","3.51779","0.00009","13.1178","0.0006","90","","77.346","0.004","90","","425.79","0.03","295","","295","","1.87","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0863","","1.824","","","","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233460","9.4526","0.0005","3.49778","0.00011","13.1229","0.0008","90","","77.341","0.005","90","","423.34","0.04","295","","295","","2.02","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1134","","1.136","","","","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233461","9.338","0.0006","4.59377","0.00029","11.4034","0.0007","90","","82.154","0.006","90","","484.59","0.05","295","","295","","0.26","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.158","","0.934","","","","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233462","9.3429","0.0005","4.55499","0.00024","11.3567","0.0006","90","","82.183","0.005","90","","478.81","0.04","295","","295","","0.5","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1224","","1.146","","","","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233463","9.4344","0.0005","3.44007","0.0001","13.1345","0.0007","90","","77.317","0.004","90","","415.88","0.03","295","","295","","2.53","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0969","","1.069","","","","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233464","9.4644","0.0005","3.5503","0.00011","13.1017","0.0007","90","","77.388","0.004","90","","429.61","0.04","295","","295","","1.63","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0949","","1","","","","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233465","9.4768","0.0005","3.61125","0.00013","13.0677","0.0008","90","","77.463","0.005","90","","436.55","0.04","295","","295","","1.31","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0907","","1.057","","","","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233466","9.419","0.0005","3.39405","0.0001","13.1379","0.0007","90","","77.31","0.004","90","","409.74","0.03","295","","295","","3.04","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.077","","1.126","","","","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233467","9.4251","0.0005","3.41438","0.0001","13.1382","0.0007","90","","77.309","0.004","90","","412.47","0.03","295","","295","","2.81","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0799","","1.009","","","","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233468","9.4033","0.0005","3.35415","0.0001","13.132","0.0007","90","","77.321","0.005","90","","404.08","0.03","295","","295","","3.57","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0836","","1.062","","","","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233469","9.4113","0.0005","3.37412","0.0001","13.1358","0.0007","90","","77.317","0.004","90","","406.95","0.03","295","","295","","3.28","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.089","","1.008","","","","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233470","9.4872","0.0007","3.81402","0.00019","12.8589","0.001","90","","77.936","0.007","90","","455.02","0.06","295","","295","","0.62","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1509","","1.495","","","","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233471","9.3926","0.0005","3.33285","0.0001","13.1269","0.0007","90","","77.329","0.005","90","","400.92","0.03","295","","295","","3.89","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0904","","1.02","","","","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233472","9.3308","0.0008","4.6415","0.0004","11.4721","0.001","90","","82.069","0.006","90","","492.09","0.07","295","","295","","0","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1352","","1.318","","","","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233473","9.3332","0.0008","4.6196","0.0004","11.4456","0.0009","90","","82.101","0.007","90","","488.8","0.07","295","","295","","0.1","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1775","","1.0075","","","","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233474","13.2953","0.0004","8.1752","0.0003","17.7914","0.0006","90","","96.999","0.002","90","","1919.37","0.11","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl N O5 -","- C22 H22 Cl N O5 -","- C88 H88 Cl4 N4 O20 -","4","1","","Li, Meiqi; Li, Zhen; Wang, Jian-rong; Mei, Xuefeng","Hydrochromism behaviors of solid forms of chelerythrine hydrochloride","CrystEngComm","2019","21","39","5915","","10.1039/C9CE00933G","","","0.71073","MoKα","","0.0617","0.0422","","","0.1262","0.1439","","","","","","0.9605","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233475","28.9199","0.0009","7.3899","0.0002","18.0028","0.0006","90","","116.427","0.002","90","","3445.42","0.19","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Cl N O4 -","- C21 H18 Cl N O4 -","- C168 H144 Cl8 N8 O32 -","8","1","","Li, Meiqi; Li, Zhen; Wang, Jian-rong; Mei, Xuefeng","Hydrochromism behaviors of solid forms of chelerythrine hydrochloride","CrystEngComm","2019","21","39","5915","","10.1039/C9CE00933G","","","0.71073","MoKα","","0.057","0.0406","","","0.1051","0.1155","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233476","6.8891","0.0002","20.9101","0.0007","30.2189","0.0011","90","","90","","90","","4353.1","0.2","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Cl N O8.5 -","- C21 H27 Cl N O8.5 -","- C168 H216 Cl8 N8 O68 -","8","2","","Li, Meiqi; Li, Zhen; Wang, Jian-rong; Mei, Xuefeng","Hydrochromism behaviors of solid forms of chelerythrine hydrochloride","CrystEngComm","2019","21","39","5915","","10.1039/C9CE00933G","","","0.71073","MoKα","","0.0798","0.0471","","","0.0942","0.1084","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233523","6.6213","0.0013","15.81","0.003","16.409","0.003","90","","90","","90","","1717.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C72 H80 F4 N12 O16 -","4","1","","Wei, Ning; Jia, Lina; Shang, Zeren; Gong, Junbo; Wu, Songgu; Wang, Jingkang; Tang, Weiwei","Polymorphism of levofloxacin: structure, properties and phase transformation","CrystEngComm","2019","21","41","6196","","10.1039/C9CE00847K","","","0.71073","MoKα","","0.1264","0.0784","","","0.1408","0.1596","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233524","17.353","0.004","6.784","0.003","18.68","0.006","90","","105.31","0.03","90","","2121","1.3","113","2","113.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H26 F N3 O6 -","- C20 H23 F N3 O6 -","- C80 H92 F4 N12 O24 -","4","1","","Wei, Ning; Jia, Lina; Shang, Zeren; Gong, Junbo; Wu, Songgu; Wang, Jingkang; Tang, Weiwei","Polymorphism of levofloxacin: structure, properties and phase transformation","CrystEngComm","2019","21","41","6196","","10.1039/C9CE00847K","","","0.71073","MoKα","","0.0983","0.0888","","","0.2529","0.2662","","","","","","1.049","","","","has coordinates,has disorder","223511","2020-10-21","18:00:00","" "7233525","26.067","0.005","9.2924","0.0019","34.377","0.007","90","","94.22","0.03","90","","8304","3","128.15","","128.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H80 F4 N12 O16 -","- C72 H80 F4 N12 O16 -","- C288 H320 F16 N48 O64 -","4","1","","Wei, Ning; Jia, Lina; Shang, Zeren; Gong, Junbo; Wu, Songgu; Wang, Jingkang; Tang, Weiwei","Polymorphism of levofloxacin: structure, properties and phase transformation","CrystEngComm","2019","21","41","6196","","10.1039/C9CE00847K","","","0.71073","MoKα","","0.1454","0.1109","","","0.2776","0.3122","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233526","30.9411","0.0004","5.05534","0.00007","5.9564","0.00008","90","","90","","90","","931.69","0.02","293","","293.15","","","","","","","","mechanochemical synthesis","6","P 21 21 21","P 2ac 2ab","19","","Cadmium 3-fluorobenzylphosphonate","","- C7 H8 Cd F O4 P -","- C7 H8 Cd F O4 P -","- C28 H32 Cd4 F4 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","0.7085","Synchrotron","","","","","","","","","0.0142","2.70733","","","","","","","has coordinates","223564","2020-10-21","18:00:00","" "7233527","6.00417","0.00009","32.3664","0.0005","5.10565","0.00008","90","","93.183","0.001","90","","990.67","0.03","293","","293.15","","","","","","","","mechanochemical synthesis","6","P 1 21/n 1","-P 2yn","14","","Cadmium 2,3,4,5,6-pentafluorobenzylphosphonate","","- C7 H4 Cd F5 O4 P -","- C7 H4 Cd F5 O4 P -","- C28 H16 Cd4 F20 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","0.7085","Synchrotron","","","","","","","","","0.0091","1.57337","","","","","","","has coordinates","223564","2020-10-21","18:00:00","" "7233528","30.6727","0.0005","5.93558","0.00009","5.0541","0.00008","90","","90","","90","","920.15","0.03","293","","293.15","","","","","","","","mechanochemical synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Cd F O4 P -","- C7 H8 Cd F O4 P -","- C28 H32 Cd4 F4 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","0.7085","Synchrotron","","","","","","","","","0.0198","3.42785","","","","","","","has coordinates","223564","2020-10-21","18:00:00","" "7233529","30.388656","","5.045593","","5.93953","","90","","90","","90","","910.701","","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H9 Cd O4 P -","- C7 H9 Cd O4 P -","- C28 H36 Cd4 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0339","8.08334","","","","","","","has coordinates","223564","2020-10-21","18:00:00","" "7233530","7.792","0.0007","14.2386","0.0013","7.9049","0.0007","90","","94.487","0.001","90","","874.34","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H32 N4 O6 -","- C12 H32 N4 O6 -","- C24 H64 N8 O12 -","2","1","","Navasardyan, Mger A.; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Unusual isomorphism in crystals of organic solvates with hydrazine and water","CrystEngComm","2019","21","38","5693","","10.1039/C9CE00978G","","","0.71073","MoKα","","0.0365","0.0317","","","0.0823","0.0858","","","","","","0.968","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233531","16.7939","0.0004","17.0018","0.0005","15.0341","0.0003","90","","90","","90","","4292.63","0.18","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H42.8 N2.8 O2.1 -","- C18 H42.804 N2.804 O2.098 -","- C144 H342.432 N22.432 O16.784 -","8","1","","Navasardyan, Mger A.; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Unusual isomorphism in crystals of organic solvates with hydrazine and water","CrystEngComm","2019","21","38","5693","","10.1039/C9CE00978G","","","0.71073","MoKα","","0.0548","0.0481","","","0.1236","0.1295","","","","","","1.028","","","","has coordinates,has disorder","223727","2020-10-21","18:00:00","" "7233532","16.8256","0.0005","17.1025","0.0005","15.0186","0.0005","90","","90","","90","","4321.7","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H43 N3 O2 -","- C18 H43 N3 O2 -","- C144 H344 N24 O16 -","8","1","","Navasardyan, Mger A.; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Unusual isomorphism in crystals of organic solvates with hydrazine and water","CrystEngComm","2019","21","38","5693","","10.1039/C9CE00978G","","","0.71073","MoKα","","0.0521","0.0447","","","0.1163","0.1218","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233566","10.9409","0.0012","15.4091","0.0017","23.902","0.003","91.577","0.001","100.609","0.001","110.048","0.001","3702.8","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H160 Cd3 Cl12 La2 N48 O52 -","- C88 H104 Cd3 Cl12 La2 N48 O40 -","- C88 H104 Cd3 Cl12 La2 N48 O40 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.073","0.0622","","","0.1911","0.2036","","","","","","1.007","","","","has coordinates,has disorder","223496","2020-10-21","18:00:00","" "7233567","12.023","0.006","12.837","0.006","13.44","0.006","79.253","0.006","64.689","0.007","81.772","0.007","1837.6","1.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H84 Cd2 Cl10 N24 Nd2 O28 -","- C44 H80 Cd2 Cl8 N24 Nd2 O27 -","- C44 H80 Cd2 Cl8 N24 Nd2 O27 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.1749","0.1368","","","0.4014","0.4402","","","","","","1.008","","","","has coordinates","223496","2020-10-21","18:00:00","" "7233568","12.298","0.002","15.48","0.003","18.54","0.004","81.044","0.003","87.516","0.003","87.398","0.003","3480.5","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H78 Cd Cl5 Ho N24 O25 -","- C44 H52 Cd Cl5 Ho N24 O25 -","- C88 H104 Cd2 Cl10 Ho2 N48 O50 -","2","1","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0921","0.0654","","","0.169","0.1914","","","","","","1.008","","","","has coordinates,has disorder","223496","2020-10-21","18:00:00","" "7233569","11.786","0.004","12.205","0.004","16.776","0.008","109.814","0.007","101.083","0.007","104.474","0.005","2094.2","1.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H92 Cd2 Ce2 Cl8 N26 O38 -","- C44 H52 Cd2 Ce2 Cl8 N26 O34 -","- C44 H52 Cd2 Ce2 Cl8 N26 O34 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0443","0.04","","","0.1254","0.1289","","","","","","1.006","","","","has coordinates","223496","2020-10-21","18:00:00","" "7233570","15.4032","0.0016","17.4427","0.0018","18.5949","0.0019","112.95","0.001","100.91","0.001","97.578","0.002","4398.9","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H204 Cd2 Cl16 N48 O74 Pr4 -","- C88 H104 Cd2 Cl12 N48 O54 Pr4 -","- C88 H104 Cd2 Cl12 N48 O54 Pr4 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.074","0.0518","","","0.1444","0.1568","","","","","","1.004","","","","has coordinates","223496","2020-10-21","18:00:00","" "7233571","20.532","0.01","15.111","0.007","17.84","0.009","90","","122.546","0.005","90","","4666","4","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C56 H108 Cd2 Cl12 Ho2 N24 O38 -","- C56 H62 Cd2 Cl12 Ho2 N24 O26 -","- C112 H124 Cd4 Cl24 Ho4 N48 O52 -","2","0.25","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.1074","0.0733","","","0.1928","0.2162","","","","","","1.009","","","","has coordinates","223496","2020-10-21","18:00:00","" "7233572","12.3061","0.0013","15.4709","0.0017","18.522","0.002","81.042","0.002","87.538","0.001","87.38","0.002","3477.4","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H80 Cd Cl5 Dy N24 O26 -","- C44 H52 Cd Cl5 Dy N24 O26 -","- C88 H104 Cd2 Cl10 Dy2 N48 O52 -","2","1","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0888","0.0598","","","0.1523","0.1745","","","","","","1.008","","","","has coordinates","223496","2020-10-21","18:00:00","" "7233573","12.3443","0.0015","15.456","0.0019","18.558","0.002","81.136","0.002","87.379","0.002","87.409","0.002","3492.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H78 Cd Cl5 Gd N24 O25 -","- C44 H52 Cd Cl5 Gd N24 O25 -","- C88 H104 Cd2 Cl10 Gd2 N48 O50 -","2","1","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.055","0.0468","","","0.1345","0.1432","","","","","","1.002","","","","has coordinates,has disorder","223496","2020-10-21","18:00:00","" "7233574","15.3462","0.0015","17.3743","0.0017","18.4992","0.0018","112.402","0.001","100.568","0.001","98.219","0.001","4358.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H220 Cd2 Cl16 Eu4 N48 O82 -","- C88 H104 Cd2 Cl12 Eu4 N48 O66 -","- C88 H104 Cd2 Cl12 Eu4 N48 O66 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0504","0.0447","","","0.1532","0.1617","","","","","","1.007","","","","has coordinates","223496","2020-10-21","18:00:00","" "7233575","12.438","0.004","15.506","0.005","18.489","0.006","80.79","0.004","87.654","0.004","87.463","0.004","3514","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H52 Cd Cl4 N25 O26 Sm -","- C44 H52 Cd Cl4 N25 O26 Sm -","- C88 H104 Cd2 Cl8 N50 O52 Sm2 -","2","1","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0962","0.0674","","","0.1931","0.2264","","","","","","1.013","","","","has coordinates","223496","2020-10-21","18:00:00","" "7233613","10.0281","0.0006","10.0845","0.0005","13.1425","0.0007","75.763","0.005","68.657","0.005","65.46","0.005","1119.04","0.12","290","","290","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 Ni3 O20 -","- C18 H22 Ni3 O20 -","- C36 H44 Ni6 O40 -","2","1","","Zhai, Zhi-Min; Yang, Xiao-Gang; Yang, Zhao-Tong; Lu, Xiao-Min; Ma, Lu-Fang","Trinuclear Ni(ii) oriented highly dense packing and π-conjugation degree of metal‒organic frameworks for efficient water oxidation","CrystEngComm","2019","21","39","5862","","10.1039/C9CE00944B","","x-ray","0.71073","MoKα","","0.0568","0.0507","","","0.1367","0.1451","","","","","","1.049","","","","has coordinates","223569","2020-10-21","18:00:00","" "7233614","6.96425","0.00019","7.8107","0.0002","23.7211","0.0007","90","","98.44","0.003","90","","1276.35","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N2 O5 -","- C11 H16 N2 O5 -","- C44 H64 N8 O20 -","4","1","","Croitor, Lilia; Petric, Mihaela F.; Szerb, Elisabeta I.; Vlase, Gabriela; Bourosh, Paulina N.; Chumakov, Yurii M.; Crisan, Manuela E.","The role of 4-nitrobenzoic acid polymorphs in the crystallization process of organic acid–base multicomponent systems","CrystEngComm","2019","21","40","6038","","10.1039/C9CE01239G","","","0.71073","MoKα","","0.061","0.0485","","","0.142","0.1548","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233619","4.8518","0.0003","8.1747","0.0005","6.8142","0.0004","90","","105.468","0.001","90","","260.48","0.03","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H2 O6 P2 Ti -","- H2 O6 P2 Ti -","- H4 O12 P4 Ti2 -","2","0.5","","Wu, Junbiao; Lou, Luqi; Liu, Hang; Su, Tan; Wang, Zhuopeng; Li, Jiyang","Ionothermal synthesis of a photoelectroactive titanophosphite with a three-dimensional open-framework","CrystEngComm","2019","21","39","5867","","10.1039/C9CE01007F","","","0.71073","MoKα","","0.0249","0.0233","","","0.0672","0.0681","","","","","","1.16","","","","has coordinates","223565","2020-10-21","18:00:00","" "7233620","9.2617","0.0004","17.7294","0.0009","11.9398","0.0005","90","","100.901","0.002","90","","1925.19","0.15","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Xie, Peizhong; Wo, Xiangyang; Yang, Xiaobo; Cai, Xinying; Li, Shuangshuang; Gao, Cuiqing; Fu, Weishan; Sun, Zuolian; Loh, Teck-Peng","Calcium-catalyzed regioselective dehydrative cross-coupling of propargylic alcohols with 1,3-dicarbonyl compounds","Green Chemistry","2019","21","19","5207","","10.1039/C9GC02635E","","","0.71073","MoKα","","0.0807","0.0642","","","0.1117","0.1218","","","","","","1.024","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26","" "7233621","11.367","0.0007","15.8302","0.001","11.4198","0.0007","90","","114.025","0.002","90","","1876.9","0.2","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Xie, Peizhong; Wo, Xiangyang; Yang, Xiaobo; Cai, Xinying; Li, Shuangshuang; Gao, Cuiqing; Fu, Weishan; Sun, Zuolian; Loh, Teck-Peng","Calcium-catalyzed regioselective dehydrative cross-coupling of propargylic alcohols with 1,3-dicarbonyl compounds","Green Chemistry","2019","21","19","5207","","10.1039/C9GC02635E","","","1.34139","GaKα","","0.044","0.04","","","0.1061","0.1103","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233657","18.4224","0.0008","16.1333","0.0009","21.6118","0.0012","90","","103.12","0.005","90","","6255.7","0.6","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 F6 Gd N O7 S2 -","- C28 H22 F6 Gd N O7 S2 -","- C224 H176 F48 Gd8 N8 O56 S16 -","8","1","","Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei","Improved luminescence properties by the self-assembly of lanthanide compounds with a 1-D chain structure for the sensing of CH3COOH and toxic HS− anions","CrystEngComm","2019","21","39","5965","","10.1039/C9CE01077G","","","0.71073","MoKα","","0.0882","0.0602","","","0.1442","0.1567","","","","","","1.114","","","","has coordinates","223571","2020-10-21","18:00:00","" "7233697","11.9203","0.0007","19.9475","0.0011","7.7761","0.0004","90","","103.949","0.003","90","","1794.48","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Coordination compound","","","- C13 H12 N6 O6 Pb S -","- C13 H12 N6 O6 Pb S -","- C52 H48 N24 O24 Pb4 S4 -","4","1","","Velásquez, Juan D.; Mahmoudi, Ghodrat; Zangrando, Ennio; Gurbanov, Atash V.; Zubkov, Fedor I.; Zorlu, Yunus; Masoudiasl, Ardavan; Echeverría, Jorge","Experimental and theoretical study of Pb⋯S and Pb⋯O σ-hole interactions in the crystal structures of Pb(ii) complexes","CrystEngComm","2019","21","40","6018","","10.1039/C9CE00959K","","","0.71073","MoKα","","0.0252","0.0214","","","0.0504","0.0523","","","","","","1.025","","","","has coordinates","223625","2020-10-21","18:00:00","" "7233698","37.25","0.005","5.0731","0.0006","22.594","0.003","90","","110.797","0.014","90","","3991.5","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Coordination Compound","","","- C19 H15 N5 O3 Pb S -","- C19 H15 N5 O3 Pb S -","- C152 H120 N40 O24 Pb8 S8 -","8","1","","Velásquez, Juan D.; Mahmoudi, Ghodrat; Zangrando, Ennio; Gurbanov, Atash V.; Zubkov, Fedor I.; Zorlu, Yunus; Masoudiasl, Ardavan; Echeverría, Jorge","Experimental and theoretical study of Pb⋯S and Pb⋯O σ-hole interactions in the crystal structures of Pb(ii) complexes","CrystEngComm","2019","21","40","6018","","10.1039/C9CE00959K","","","0.71073","MoKα","","0.0378","0.0287","","","0.0555","0.0582","","","","","","1.042","","","","has coordinates","223625","2020-10-21","18:00:00","" "7233723","10.1159","0.0005","13.148","0.0005","16.2911","0.0006","80.81","0.003","84.854","0.004","68.526","0.004","1989.34","0.15","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C36 H66 B Cl F4 N2 O2 P2 Ru -","- C36 H66 B Cl F4 N2 O2 P2 Ru -","- C72 H132 B2 Cl2 F8 N4 O4 P4 Ru2 -","2","1","","Schaniel, Dominik; Casaretto, Nicolas; Bendeif, El-Eulmi; Woike, Theo; Gallien, Anna K. E.; Klüfers, Peter; Kutniewska, Sylwia E.; Kamiński, Radosław; Bouchez, Guillaume; Boukheddaden, Kamel; Pillet, Sébastien","Evidence for a photoinduced isonitrosyl isomer in ruthenium dinitrosyl compounds","CrystEngComm","2019","21","38","5804","","10.1039/C9CE01119F","","","0.71073","MoKα","","0.0425","0.0337","","","0.0719","0.077","","","","","","1.083","","","","has coordinates,has disorder","223728","2020-10-21","18:00:00","" "7233731","4.8349","0.0003","5.364","0.0003","16.1843","0.001","81.706","0.002","89.469","0.003","86.953","0.003","414.75","0.04","147","2","147","2","","","","","","","","3","P 1","P 1","1","(S,S,S)-arabitol monocaprate","(2S,3S,4S)-2,3,4,5-tetrahydroxypentyl decanoate","","- C15 H30 O6 -","- C15 H30 O6 -","- C15 H30 O6 -","1","1","","Manhas, Sanjay; Lin, Yu Chen; Wang, Grace; Kyne, Luke T.; Taylor, Mark S.","Boronic acid-promoted site-selective Fischer esterifications of sugar alcohols","Green Chemistry","2019","21","19","5363","","10.1039/C9GC00901A","","","1.54178","CuKα","","0.0331","0.0328","","","0.0849","0.0851","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:26","" "7233753","10.0899","0.0007","7.744","0.0005","13.7323","0.0009","90","","110.922","0.002","90","","1002.24","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N10 O5 -","- C4 H4 N10 O5 -","- C16 H16 N40 O20 -","4","1","","Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming","Energetic furazan–triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties","CrystEngComm","2019","21","40","6093","","10.1039/C9CE01336A","","","0.71073","MoKα","","0.043","0.0367","","","0.0942","0.0978","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:27","" "7233754","18.7451","0.0009","7.3716","0.0004","14.7077","0.0006","90","","110.501","0.001","90","","1903.61","0.16","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 N10 O3 -","- C4 H8 N10 O3 -","- C32 H64 N80 O24 -","8","1","","Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming","Energetic furazan‒triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties","CrystEngComm","2019","21","40","6093","","10.1039/C9CE01336A","","","0.71073","MoKα","","0.0597","0.0479","","","0.1314","0.1393","","","","","","1.038","","","","has coordinates","223628","2020-10-21","18:00:00","" "7233755","9.0312","0.0004","18.6286","0.0007","6.5567","0.0003","90","","96.737","0.002","90","","1095.47","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N11 O4 -","- C4 H11 N11 O4 -","- C16 H44 N44 O16 -","4","1","","Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming","Energetic furazan‒triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties","CrystEngComm","2019","21","40","6093","","10.1039/C9CE01336A","","","0.71073","MoKα","","0.0634","0.0495","","","0.1327","0.1411","","","","","","1.062","","","","has coordinates","223628","2020-10-21","18:00:00","" "7233756","14.26","0.002","4.9236","0.0007","17.854","0.002","90","","103.382","0.004","90","","1219.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N12 O5 -","- C4 H10 N12 O5 -","- C16 H40 N48 O20 -","4","1","","Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming","Energetic furazan‒triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties","CrystEngComm","2019","21","40","6093","","10.1039/C9CE01336A","","","0.71073","MoKα","","0.069","0.044","","","0.1081","0.1201","","","","","","1.041","","","","has coordinates","223628","2020-10-21","18:00:00","" "7233757","14.9662","0.0007","13.9304","0.0008","13.3293","0.0005","90","","96.927","0.004","90","","2758.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 N4 O4 Zn -","- C14 H8 N4 O4 Zn -","- C112 H64 N32 O32 Zn8 -","8","1","","Deng, Liming; Zhang, Yaowen; Zhang, Dan; Jiao, Shaoshao; Xu, Jixiang; Liu, Kang; Wang, Lei","Two exceptionally stable luminescent MOFs for the selective and sensitive detection of Fe3+ ions in aqueous solution","CrystEngComm","2019","21","40","6056","","10.1039/C9CE01166H","","","0.7107","MoKα","","0.0456","0.0349","","","0.0794","0.085","","","","","","1.049","","","","has coordinates","223626","2020-10-21","18:00:00","" "7233758","4.913","0.001","13.234","0.003","10.065","0.002","90","","98.83","0.03","90","","646.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cd N4 O4 -","- C14 H8 Cd N4 O4 -","- C28 H16 Cd2 N8 O8 -","2","0.5","","Deng, Liming; Zhang, Yaowen; Zhang, Dan; Jiao, Shaoshao; Xu, Jixiang; Liu, Kang; Wang, Lei","Two exceptionally stable luminescent MOFs for the selective and sensitive detection of Fe3+ ions in aqueous solution","CrystEngComm","2019","21","40","6056","","10.1039/C9CE01166H","","","0.71073","MoKα","","0.0218","0.0187","","","0.0424","0.0436","","","","","","1.131","","","","has coordinates","223626","2020-10-21","18:00:00","" "7233759","14.251","0.002","13.399","0.002","14.6369","0.0019","90","","93.001","0.011","90","","2791.1","0.7","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cu N4 O5 -","- C16 H12 Cu N4 O5 -","- C64 H48 Cu4 N16 O20 -","4","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","0.71073","MoKα","","0.0616","0.0324","","","0.0699","0.074","","","","","","0.827","","","","has coordinates","223536","2020-10-21","18:00:00","" "7233760","13.5518","0.0004","13.9161","0.0004","14.8283","0.0004","90","","90.716","0.003","90","","2796.22","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cu N4 O4 -","- C16 H10 Cu N4 O4 -","- C64 H40 Cu4 N16 O16 -","4","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","1.54186","CuKα","","0.0734","0.0593","","","0.1684","0.1772","","","","","","1.062","","","","has coordinates","223536","2020-10-21","18:00:00","" "7233761","13.7136","0.0004","13.227","0.0005","15.1795","0.0005","90","","93.415","0.003","90","","2748.52","0.16","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C33 H24 Cu2 N8 O9 -","- C33 H24 Cu2 N8 O9 -","- C66 H48 Cu4 N16 O18 -","2","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","1.54186","CuKα","","0.0593","0.044","","","0.1121","0.1166","","","","","","0.963","","","","has coordinates","223536","2020-10-21","18:00:00","" "7233762","13.8663","0.0004","13.235","0.0004","15.0241","0.0004","90","","93.199","0.002","90","","2752.93","0.14","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cu N4 O5 -","- C16 H12 Cu N4 O5 -","- C64 H48 Cu4 N16 O20 -","4","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","1.54186","CuKα","","0.0725","0.0556","","","0.1906","0.1966","","","","","","1.122","","","","has coordinates","223536","2020-10-21","18:00:00","" "7233763","14.5493","0.0003","11.93948","0.00014","14.1517","0.0003","90","","93.6939","0.0005","90","","2453.2","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H20 Cu2 N8 O10 -","- C32 H20 Cu2 N8 O10 -","- C64 H40 Cu4 N16 O20 -","2","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","powder diffraction","","1.5406","","","","","","","","","","","5.08","","","","","","","has coordinates","223536","2020-10-21","18:00:00","" "7233764","18.5772","0.0013","6.9751","0.0005","19.5651","0.0014","90","","90.586","0.002","90","","2535.1","0.3","283","2","283.47","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 N2 O4 -","- C31 H24 N2 O4 -","- C124 H96 N8 O16 -","4","1","","Zhou, Yuanyuan; Chen, Xianxiao; Ling, Xiangxiang; Rao, Weidong","Catalyst- and additive-free Baeyer–Villiger-type oxidation of α-iodocyclopentenones to α-pyrones: using air as the oxidant","Green Chemistry","2019","21","20","5611","","10.1039/C9GC02725D","","","0.71073","MoKα","","0.1699","0.0758","","","0.1065","0.1311","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:27","" "7233815","8.2278","0.0006","9.2785","0.0008","11.296","0.0011","83.923","0.007","78.995","0.007","84.363","0.006","839.05","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Ag N2 O2 -","- C20 H14 Ag N2 O2 -","- C40 H28 Ag2 N4 O4 -","2","1","","Liu, Wei; Chen, Cong-Cong; Mao, Ling-Ling; Wu, Si-Guo; Wang, Long-Fei; Tong, Ming-Liang","Tuning the net topology of a ternary Ag(i)-1,2,4,5-tetra(4-pyridyl)benzene-carboxylate framework: structures and photoluminescence","CrystEngComm","2019","21","42","6446","","10.1039/C9CE01155B","","","0.71073","MoKα","","0.0434","0.0377","","","0.0874","0.0907","","","","","","1.061","","","","has coordinates","223557","2020-10-21","18:00:00","" "7233816","13.8004","0.0006","17.5129","0.0006","18.766","0.0008","67.675","0.004","76.215","0.004","68.734","0.004","3883.2","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C129 H93 Ag6 N19 O14 -","- C129 H93 Ag6 N19 O14 -","- C129 H93 Ag6 N19 O14 -","1","0.5","","Liu, Wei; Chen, Cong-Cong; Mao, Ling-Ling; Wu, Si-Guo; Wang, Long-Fei; Tong, Ming-Liang","Tuning the net topology of a ternary Ag(i)-1,2,4,5-tetra(4-pyridyl)benzene-carboxylate framework: structures and photoluminescence","CrystEngComm","2019","21","42","6446","","10.1039/C9CE01155B","","","0.71073","MoKα","","0.1123","0.0688","","","0.1516","0.1681","","","","","","1.024","","","","has coordinates","223557","2020-10-21","18:00:00","" "7233817","18.1253","0.0007","19.3124","0.001","10.47","0.0004","90","","112.624","0.001","90","","3382.9","0.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H34 Ag2 N4 O8 -","- C36 H34 Ag2 N4 O8 -","- C144 H136 Ag8 N16 O32 -","4","1","","Liu, Wei; Chen, Cong-Cong; Mao, Ling-Ling; Wu, Si-Guo; Wang, Long-Fei; Tong, Ming-Liang","Tuning the net topology of a ternary Ag(i)-1,2,4,5-tetra(4-pyridyl)benzene-carboxylate framework: structures and photoluminescence","CrystEngComm","2019","21","42","6446","","10.1039/C9CE01155B","","","0.71073","MoKα","","0.0478","0.0386","","","0.0848","0.0907","","","","","","1.041","","","","has coordinates","223557","2020-10-21","18:00:00","" "7233818","12.357","0.002","13.694","0.002","14.489","0.002","90","","99.674","0.003","90","","2416.9","0.6","298.2","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cd N2 O7 -","- C17 H14 Cd N2 O7 -","- C68 H56 Cd4 N8 O28 -","4","1","","Liu, Qian-Qian; Yue, Ke-Fen; Weng, Xian-Jun; Wang, Yao-Yu","Luminescence sensing and supercapacitor performances of a new (3,3)-connected Cd-MOF","CrystEngComm","2019","21","41","6186","","10.1039/C9CE01087D","","","0.71073","MoKα","","0.0575","0.0452","","","0.1279","0.1348","","","","","","1.037","","","","has coordinates","223506","2020-10-21","18:00:00","" "7233842","7.909","0.003","17.113","0.006","8.049","0.003","90","","90","","90","","1089.4","0.7","293","2","293","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C H8 Cl N3 O -","- C H8 Cl N3 O -","- C8 H64 Cl8 N24 O8 -","8","1","","Wang, Ya; Han, Jian; Tudi, Abudukadi; Zhang, Zhizhong; Yang, Zhihua; Pan, Shilie","CO(NH2)2·NH4Cl: an ultraviolet birefringent material with conjugated CO groups","CrystEngComm","2019","21","40","6072","","10.1039/C9CE01350D","","","0.71073","MoKα","","","0.0448","","","0.1213","0.1396","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:27","" "7233844","8.3805","0.0017","4.9153","0.001","23.694","0.005","90","","98.21","0.03","90","","966","0.4","153","2","153.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 N10 O4 -","- C5 H6 N10 O4 -","- C20 H24 N40 O16 -","4","1","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.1729","0.1342","","","0.2124","0.2317","","","","","","1.237","","","","has coordinates","301866","2025-08-22","21:38:27","" "7233845","9.916","0.002","14.765","0.003","11.093","0.002","90","","90","","90","","1624.1","0.5","153","2","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 Cd N10 O10 -","- C5 H16 Cd N10 O10 -","- C20 H64 Cd4 N40 O40 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0805","0.0684","","","0.101","0.1054","","","","","","1.289","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27","" "7233846","9.826","0.002","14.671","0.003","10.946","0.002","90","","90","","90","","1577.9","0.5","153","2","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 Co N10 O10 -","- C5 H16 Co N10 O10 -","- C20 H64 Co4 N40 O40 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0396","0.0385","","","0.0937","0.0945","","","","","","1.069","","","","has coordinates","301866","2025-08-22","21:38:27","" "7233847","9.775","0.002","14.662","0.003","11.057","0.002","90","","90","","90","","1584.7","0.5","163","2","163.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 N10 O10 Zn -","- C5 H16 N10 O10 Zn -","- C20 H64 N40 O40 Zn4 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0484","0.0437","","","0.0971","0.1003","","","","","","1.121","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27","" "7233848","9.6991","0.0019","14.573","0.003","11.082","0.002","90","","90","","90","","1566.4","0.5","153","2","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 N10 Ni O10 -","- C5 H16 N10 Ni O10 -","- C20 H64 N40 Ni4 O40 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0427","0.04","","","0.0923","0.094","","","","","","1.107","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27","" "7233849","8.4366","0.0017","9.839","0.002","20.798","0.004","90","","90","","90","","1726.4","0.6","163","2","163.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C5 H18 Fe N10 O13 -","- C5 H18 Fe N10 O13 -","- C20 H72 Fe4 N40 O52 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0395","0.0368","","","0.0864","0.0883","","","","","","1.103","","","","has coordinates","301866","2025-08-22","21:38:27","" "7233876","8.4912","0.0011","12.7255","0.0016","16.048","0.002","98.133","0.001","91.069","0.001","99.479","0.001","1691.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Cd N4 O6 -","- C40 H30 Cd N4 O6 -","- C80 H60 Cd2 N8 O12 -","2","1","","Yuan, Fei; Yuan, Chun-Mei; Zhou, Chun-Sheng; Qiao, Cheng-Fang; Lu, Lu; Ma, Ai-Qing; Singh, Ayushi; Kumar, Abhinav","Syntheses and photocatalytic properties of three new d10-based coordination polymers: effects of metal centres and ancillary ligands","CrystEngComm","2019","21","43","6558","","10.1039/C9CE01325C","","","0.71073","MoKα","","0.0422","0.0322","","","0.0903","0.1068","","","","","","1.04","","","","has coordinates","223543","2020-10-21","18:00:00","" "7233877","11.1521","0.0004","12.0285","0.0005","23.5503","0.0007","77.262","0.003","76.994","0.003","76.727","0.003","2947.99","0.19","250","0.1","250","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H50 N10 O12 Zn2 -","- C66 H50 N10 O12 Zn2 -","- C132 H100 N20 O24 Zn4 -","2","1","","Yuan, Fei; Yuan, Chun-Mei; Zhou, Chun-Sheng; Qiao, Cheng-Fang; Lu, Lu; Ma, Ai-Qing; Singh, Ayushi; Kumar, Abhinav","Syntheses and photocatalytic properties of three new d10-based coordination polymers: effects of metal centres and ancillary ligands","CrystEngComm","2019","21","43","6558","","10.1039/C9CE01325C","","x-ray","1.54184","CuKα","","0.0395","0.0332","","","0.0872","0.0928","","","","","","1.023","","","","has coordinates","223543","2020-10-21","18:00:00","" "7233878","19.8075","0.0006","6.2207","0.0002","20.4492","0.0006","90","","98.035","0.003","90","","2494.94","0.13","236","50","236","50","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C27 H25 Cd N2 O7 -","- C27 H25 Cd N2 O7 -","- C108 H100 Cd4 N8 O28 -","4","1","","Yuan, Fei; Yuan, Chun-Mei; Zhou, Chun-Sheng; Qiao, Cheng-Fang; Lu, Lu; Ma, Ai-Qing; Singh, Ayushi; Kumar, Abhinav","Syntheses and photocatalytic properties of three new d10-based coordination polymers: effects of metal centres and ancillary ligands","CrystEngComm","2019","21","43","6558","","10.1039/C9CE01325C","","x-ray","1.54184","CuKα","","0.0337","0.029","","","0.0735","0.0772","","","","","","1.049","","","","has coordinates","223543","2020-10-21","18:00:00","" "7233916","19.6861","0.0019","4.7958","0.0004","25.169","0.002","90","","101.404","0.009","90","","2329.3","0.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl2 Hg N4 O2 -","- C24 H20 Cl2 Hg N4 O2 -","- C96 H80 Cl8 Hg4 N16 O8 -","4","1","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.131","0.098","","","0.2655","0.2862","","","","","","1.066","","","","has coordinates","223510","2020-10-21","18:00:00","" "7233917","17.5323","0.0006","3.8438","0.0001","34.5553","0.001","90","","100.079","0.003","90","","2292.77","0.12","130","1","130","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C24 H22 Cl2 Hg N4 O3 -","- C24 H22 Cl2 Hg N4 O3 -","- C96 H88 Cl8 Hg4 N16 O12 -","4","0.5","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.0243","0.0223","","","0.0559","0.0563","","","","","","1.128","","","","has coordinates","223510","2020-10-21","18:00:00","" "7233918","4.931","0.00014","17.3546","0.0004","28.863","0.0008","90","","91.909","0.002","90","","2468.6","0.11","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Br2 Hg N4 O2 -","- C24 H20 Br2 Hg N4 O2 -","- C96 H80 Br8 Hg4 N16 O8 -","4","1","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.104","0.0833","","","0.1248","0.1302","","","","","","1.361","","","","has coordinates","223510","2020-10-21","18:00:00","" "7233919","8.9772","0.0004","31.7959","0.0011","4.7115","0.0002","90","","90","","90","","1344.84","0.09","130","1","130","1","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C26 H28 Br2 Hg N4 O4 -","- C26 H28 Br2 Hg N4 O4 -","- C52 H56 Br4 Hg2 N8 O8 -","2","0.5","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.0432","0.0383","","","0.097","0.1011","","","","","","1.077","","","","has coordinates","223510","2020-10-21","18:00:00","" "7233920","9.1791","0.0006","32.206","0.002","4.7036","0.0003","90","","90","","90","","1390.49","0.15","100","1","100","1","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C26 H28 Hg I2 N4 O4 -","- C26 H28 Hg I2 N4 O4 -","- C52 H56 Hg2 I4 N8 O8 -","2","0.5","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.0551","0.0451","","","0.0985","0.1041","","","","","","1.109","","","","has coordinates","223510","2020-10-21","18:00:00","" "7233978","9.431","0.004","13.316","0.004","18.54","0.007","90","","91.891","0.013","90","","2327","1.5","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cd Cl N4 O4 -","- C25 H20 Cd Cl N4 O4 -","- C100 H80 Cd4 Cl4 N16 O16 -","4","1","","Zhang, Yujuan; Yang, Jiandong; Zhao, Dongsheng; Liu, Zhangjie; Li, Dacheng; Fan, Liming; Hu, Tuoping","Two cadmium(ii) coordination polymers as luminescent sensors for the detection of nitrofuran/nitroimidazole antibiotics","CrystEngComm","2019","21","41","6130","","10.1039/C9CE01164A","","","0.71073","MoKα","","0.0312","0.0293","","","0.074","0.0754","","","","","","1.099","","","","has coordinates","223505","2020-10-21","18:00:00","" "7233979","6.972","0.003","17.311","0.009","17.837","0.008","90","","93.913","0.014","90","","2147.8","1.7","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Cd N4 O4 -","- C25 H19 Cd N4 O4 -","- C100 H76 Cd4 N16 O16 -","4","1","","Zhang, Yujuan; Yang, Jiandong; Zhao, Dongsheng; Liu, Zhangjie; Li, Dacheng; Fan, Liming; Hu, Tuoping","Two cadmium(ii) coordination polymers as luminescent sensors for the detection of nitrofuran/nitroimidazole antibiotics","CrystEngComm","2019","21","41","6130","","10.1039/C9CE01164A","","","0.71073","MoKα","","0.0522","0.0425","","","0.0859","0.0892","","","","","","1.107","","","","has coordinates","223505","2020-10-21","18:00:00","" "7233980","12.467","0.0001","16.3496","0.0001","21.3494","0.0001","90","","90","","90","","4351.66","0.05","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H46 Cd N6 O12 -","- C40 H46 Cd N6 O12 -","- C160 H184 Cd4 N24 O48 -","4","0.5","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","x-ray","0.7","synchrotron","","0.0608","0.0596","","","0.1896","0.1914","","","","","","1.051","","","","has coordinates,has disorder","223559","2020-10-21","18:00:00","" "7233981","15.2047","0.0006","18.4315","0.0006","28.6082","0.0011","101.926","0.003","96.44","0.003","98.138","0.003","7682.1","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C97.25 H99.25 N12.5 O18.96 Zn4 -","- C97.25 H99.25 N12.5 O18.968 Zn4 -","- C194.5 H198.5 N25 O37.936 Zn8 -","2","1","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","","0.7","synchrotron","","0.1291","0.1061","","","0.3141","0.3374","","","","","","1.247","","","","has coordinates,has disorder","223559","2020-10-21","18:00:00","" "7233982","11.593","0.0006","45.238","0.002","23.3964","0.0011","90","","91.12","0.002","90","","12267.8","1","120","2","120.24","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C97 H96 N12 O19 Zn4 -","- C97 H96 N12 O19 Zn4 -","- C388 H384 N48 O76 Zn16 -","4","1","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","","0.71073","MoKα","","0.0839","0.0611","","","0.182","0.1985","","","","","","1.062","","","","has coordinates,has disorder","223559","2020-10-21","18:00:00","" "7233983","19.551","0.001","24.348","0.002","19.579","0.001","90","","98.16","0.02","90","","9225.8","1.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C104 H84 N8 O30 Zr6 -","- C104 H84 N8 O30 Zr6 -","- C208 H168 N16 O60 Zr12 -","2","1","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","","0.7","synchrotron","","0.3108","0.1472","","","0.3325","0.4094","","","","","","1.077","","","","has coordinates","223559","2020-10-21","18:00:00","" "7233984","8.6867","0.0004","15.1019","0.0006","9.9125","0.0005","90","","105.478","0.005","90","","1253.22","0.1","159.99","0.1","159.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 O7 -","- C12 H14 O7 -","- C48 H56 O28 -","4","1","","Yang, Jinyue; Hong, Baohong; Wang, Na; Li, Xin; Huang, Xin; Bao, Ying; Xie, Chuang; Hao, Hongxun","Thermodynamics and molecular mechanism of the formation of the cocrystals of p-hydroxybenzoic acid and glutaric acid","CrystEngComm","2019","21","42","6374","","10.1039/C9CE01092K","","x-ray","0.71073","MoKα","","0.0723","0.0486","","","0.1254","0.1402","","","","","","1.044","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27","" "7234018","7.0897","0.0003","8.0981","0.0005","9.2634","0.0005","67.362","0.005","86.126","0.004","82.729","0.004","486.81","0.05","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 Nd O9 -","- C8 H7 Nd O9 -","- C16 H14 Nd2 O18 -","2","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0197","0.0178","","","0.0413","0.0422","","","","","","1.102","","","","has coordinates","223541","2020-10-21","18:00:00","" "7234019","8.0013","0.0003","9.0019","0.0003","14.3067","0.0005","90","","90","","90","","1030.47","0.06","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Na O9 Pr -","- C8 H4 Na O9 Pr -","- C32 H16 Na4 O36 Pr4 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0246","0.0217","","","0.0444","0.0462","","","","","","1.079","","","","has coordinates","223541","2020-10-21","18:00:00","" "7234020","16.309","0.0005","10.8889","0.0003","17.4148","0.0006","90","","98.031","0.003","90","","3062.31","0.17","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 O13 Tm2 -","- C12 H8 O13 Tm2 -","- C96 H64 O104 Tm16 -","8","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0261","0.0219","","","0.0449","0.0467","","","","","","1.107","","","","has coordinates","223541","2020-10-21","18:00:00","" "7234021","7.9349","0.0004","8.8716","0.0004","14.1611","0.0007","90","","90","","90","","996.87","0.08","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Eu Na O9 -","- C8 H6 Eu Na O9 -","- C32 H24 Eu4 Na4 O36 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0262","0.0221","","","0.0432","0.0452","","","","","","1.073","","","","has coordinates","223541","2020-10-21","18:00:00","" "7234022","7.9177","0.0005","8.8354","0.0006","14.1274","0.0008","90","","90","","90","","988.3","0.11","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Na O9 Tb -","- C8 H6 Na O9 Tb -","- C32 H24 Na4 O36 Tb4 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0262","0.0231","","","0.0489","0.0506","","","","","","1.086","","","","has coordinates","223541","2020-10-21","18:00:00","" "7234023","7.086","0.0003","7.9756","0.0003","9.2021","0.0003","67.832","0.003","86.055","0.003","82.82","0.003","477.71","0.03","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 O9 Tb -","- C8 H7 O9 Tb -","- C16 H14 O18 Tb2 -","2","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0211","0.0203","","","0.0537","0.0544","","","","","","1.036","","","","has coordinates","223541","2020-10-21","18:00:00","" "7234024","11.713","0.0007","7.9655","0.0004","14.7344","0.001","90","","97.8","0.006","90","","1362","0.14","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Er Na O12 -","- C8 H12 Er Na O12 -","- C32 H48 Er4 Na4 O48 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71","MoKα","","0.0529","0.0446","","","0.1172","0.1269","","","","","","1.092","","","","has coordinates","223541","2020-10-21","18:00:00","" "7234025","16.2968","0.0007","10.8916","0.0005","17.3658","0.0007","90","","97.967","0.004","90","","3052.6","0.2","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 O13 Yb2 -","- C12 H8 O13 Yb2 -","- C96 H64 O104 Yb16 -","8","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0278","0.022","","","0.0482","0.0507","","","","","","1.099","","","","has coordinates","223541","2020-10-21","18:00:00","" "7234026","8.2692","0.0009","13.9397","0.0014","17.5348","0.0019","102.39","0.002","96.824","0.002","99.046","0.002","1925.1","0.4","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Co N10 O6 -","- C42 H30 Co N10 O6 -","- C84 H60 Co2 N20 O12 -","2","1","","Liu, Yu; Wang, Xiuli; Zhao, Jing; Lin, Hongyan; Xu, Na; Zhang, Juwen; Yu, Baoyi","A series of flexible bis(pyridyl)bis(tetrazole)-modulated coordination polymers: construction, electrochemical properties, dye adsorption and magnetic properties","CrystEngComm","2019","21","43","6613","","10.1039/C9CE01175G","","","0.71073","MoKα","","0.1365","0.0614","","","0.1101","0.128","","","","","","0.861","","","","has coordinates,has disorder","223537","2020-10-21","18:00:00","" "7234027","9.2017","0.0008","13.14","0.0011","17.1774","0.0015","100.435","0.002","97.755","0.002","93.142","0.002","2017.2","0.3","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Co N10 O6 -","- C42 H30 Co N10 O6 -","- C84 H60 Co2 N20 O12 -","2","1","","Liu, Yu; Wang, Xiuli; Zhao, Jing; Lin, Hongyan; Xu, Na; Zhang, Juwen; Yu, Baoyi","A series of flexible bis(pyridyl)bis(tetrazole)-modulated coordination polymers: construction, electrochemical properties, dye adsorption and magnetic properties","CrystEngComm","2019","21","43","6613","","10.1039/C9CE01175G","","","0.71073","MoKα","","0.099","0.0569","","","0.1361","0.1505","","","","","","0.956","","","","has coordinates","223537","2020-10-21","18:00:00","" "7234028","16.702","0.005","29.879","0.005","18.259","0.005","90","","114.563","0.005","90","","8287","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H62 Co3 N15 O13 -","- C81 H62 Co3 N15 O13 -","- C324 H248 Co12 N60 O52 -","4","0.5","","Liu, Yu; Wang, Xiuli; Zhao, Jing; Lin, Hongyan; Xu, Na; Zhang, Juwen; Yu, Baoyi","A series of flexible bis(pyridyl)bis(tetrazole)-modulated coordination polymers: construction, electrochemical properties, dye adsorption and magnetic properties","CrystEngComm","2019","21","43","6613","","10.1039/C9CE01175G","","","0.71069","MoKα","","0.0638","0.046","","","0.1171","0.127","","","","","","1.035","","","","has coordinates,has disorder","223537","2020-10-21","18:00:00","" "7234029","27.306","0.005","8.903","0.005","28.816","0.005","90","","92.788","0.005","90","","6997","4","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C148 H110 Cu4 N22 O24 -","- C148 H110 Cu4 N22 O24 -","- C296 H220 Cu8 N44 O48 -","2","0.25","","Liu, Yu; Wang, Xiuli; Zhao, Jing; Lin, Hongyan; Xu, Na; Zhang, Juwen; Yu, Baoyi","A series of flexible bis(pyridyl)bis(tetrazole)-modulated coordination polymers: construction, electrochemical properties, dye adsorption and magnetic properties","CrystEngComm","2019","21","43","6613","","10.1039/C9CE01175G","","","0.71069","MoKα","","0.0885","0.0527","","","0.1218","0.1379","","","","","","1.014","","","","has coordinates,has disorder","223537","2020-10-21","18:00:00","" "7234030","5.11465","0.00004","18.0858","0.0002","8.046","0.00005","90","","90","","90","","744.275","0.011","293","","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","Gd1 K1 Mo2 O8","","","- Gd K Mo2 O8 -","- Gd K Mo2 O8 -","- Gd4 K4 Mo8 O32 -","4","0.5","","Morozov, Vladimir A.; Posokhova, Svetlana M.; Deyneko, Dina V.; Savina, Aleksandra A.; Morozov, Anatolii V.; Tyablikov, Oleg A.; Redkin, Boris S.; Spassky, Dmitry A.; Hadermann, Joke; Lazoryak, Bogdan I.","Influence of annealing conditions on the structure and luminescence properties of KGd1−xEux(MoO4)2 (0 ≤ x ≤ 1)","CrystEngComm","2019","21","42","6460","","10.1039/C9CE01244C","powder diffraction","x-ray","1.78892","CoKα","","0.0349","0.0349","","0.0491","0.0491","","","","1.98","","","","","","","has coordinates","223561","2020-10-21","18:00:00","" "7234031","8.848","0.0012","8.848","0.0012","24.929","0.005","90","","90","","90","","1951.6","0.5","300","2","300","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C10 H11 Cu N O3 -","- C10 H11 Cu N O3 -","- C80 H88 Cu8 N8 O24 -","8","1","","Muthukumar, Pandi; Moon, Dohyun; Anthony, Savarimuthu Philip","The Co2+/Ni2+ ion-mediated formation of a topochemically converted copper coordination polymer: structure-dependent electrocatalytic activity","CrystEngComm","2019","21","43","6552","","10.1039/C9CE01178A","","","0.63","synchrotron","","0.0278","0.0276","","","0.0777","0.0779","","","","","","1.056","","","","has coordinates","223539","2020-10-21","18:00:00","" "7234032","7.398","0.0015","10.018","0.002","28.689","0.006","90","","90","","90","","2126.2","0.8","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cu2 N2 O7 -","- C20 H24 Cu2 N2 O7 -","- C80 H96 Cu8 N8 O28 -","4","1","","Muthukumar, Pandi; Moon, Dohyun; Anthony, Savarimuthu Philip","The Co2+/Ni2+ ion-mediated formation of a topochemically converted copper coordination polymer: structure-dependent electrocatalytic activity","CrystEngComm","2019","21","43","6552","","10.1039/C9CE01178A","","","0.63","synchrotron","","0.0314","0.0289","","","0.0813","0.083","","","","","","1.078","","","","has coordinates","223539","2020-10-21","18:00:00","" "7234149","7.73077","0.00013","25.6327","0.0004","5.93311","0.00008","90","","90","","90","","1175.71","0.03","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C–H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","x-ray","1.54184","CuKα","","0.0317","0.0297","","","0.0777","0.0797","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:27","" "7234150","6.7365","0.0001","20.9912","0.0005","8.5808","0.0002","90","","94.757","0.002","90","","1209.21","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6.67 N1.33 O1.33 -","- C10 H6.66667 N1.33333 O1.33333 -","- C60 H40 N8 O8 -","6","1.5","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C‒H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","x-ray","1.54184","CuKα","","0.0595","0.0566","","","0.1601","0.1631","","","","","","1.068","","","","has coordinates","223560","2020-10-21","18:00:00","" "7234151","7.7648","0.0001","25.7822","0.0002","5.89423","0.00005","90","","90","","90","","1179.99","0.02","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C–H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","x-ray","1.54184","CuKα","","0.0319","0.0315","","","0.0798","0.0811","","","","","","1.066","","","","has coordinates","301866","2025-08-22","21:38:27","" "7234152","15.21","0.04","8.42","0.02","20.22","0.05","90","","90","","90","","2590","11","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","III","1-naphtyl pyridine-2-carboxylate","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C128 H88 N8 O16 -","8","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C–H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","","0.71073","MoKα","","0.1096","0.0991","","","0.2867","0.3057","","","","","","1.168","","","","has coordinates","301866","2025-08-22","21:38:27","" "7234153","25.1342","0.0004","25.1342","0.0004","25.1342","0.0004","90","","90","","90","","15878","0.4","296","2","296.15","","","","","","","","","8","I -4 3 d","I -4bd 2c 3","220","","","","- C8 H20 Cl1.33 Co2.67 N12 O44 Si W12 -","- C8 H20 Cl1.3332 Co2.66667 N12 O44 Si W12 -","- C96 H240 Cl15.9984 Co32 N144 O528 Si12 W144 -","12","0.25","","Yao, Wei; Qin, Chao; Xu, Na; Zhou, Jie; Sun, Chunyi; Liu, Li; Su, Zhongmin","Visible-light CO2 photoreduction of polyoxometalate-based hybrids with different cobalt clusters","CrystEngComm","2019","21","42","6423","","10.1039/C9CE01218D","","x-ray","0.71073","MoKα","","0.0261","0.0235","","","0.0547","0.0563","","","","","","1.017","","","","has coordinates","223558","2020-10-21","18:00:00","" "7234154","12.7994","0.001","13.1541","0.0011","18.1961","0.0015","92.859","0.001","90.22","0.001","95.736","0.001","3044.3","0.4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C12 H36 Cl2 Co3 N18 O49 Si W12 -","- C12 H24 Cl2 Co3 N18 O49 Si W12 -","- C24 H48 Cl4 Co6 N36 O98 Si2 W24 -","2","1","","Yao, Wei; Qin, Chao; Xu, Na; Zhou, Jie; Sun, Chunyi; Liu, Li; Su, Zhongmin","Visible-light CO2 photoreduction of polyoxometalate-based hybrids with different cobalt clusters","CrystEngComm","2019","21","42","6423","","10.1039/C9CE01218D","","x-ray","0.71073","MoKα","","0.0597","0.0406","","","0.0851","0.094","","","","","","0.98","","","","has coordinates,has disorder","223558","2020-10-21","18:00:00","" "7234202","32.4476","0.0003","10.1068","0.0001","17.2959","0.0001","90","","90","","90","","5672.04","0.08","300.99","0.1","300.99","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H52 Cu4 N12 O14 S8 -","- C42 H52 Cu4 N12 O14 S8 -","- C168 H208 Cu16 N48 O56 S32 -","4","1","","Kang, Juan; Wang, Yongli; Chen, Yifu; Huang, Xin; Yin, Qiuxiang; Wang, Na; Hao, Hongxun","Coordination-induced conformation diversity for pharmaceutical polymorph control","CrystEngComm","2019","21","43","6585","","10.1039/C9CE01310E","","x-ray","1.54184","CuKα","","0.038","0.0289","","","0.0738","0.0778","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:27","" "7234203","12.0094","0.0004","12.8836","0.0006","17.3263","0.0007","90","","92.444","0.004","90","","2678.36","0.19","159.99","0.1","159.99","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C36 H38 N12 Ni2 O11 S8 -","- C36 H38 N12 Ni2 O11 S8 -","- C72 H76 N24 Ni4 O22 S16 -","2","0.5","","Kang, Juan; Wang, Yongli; Chen, Yifu; Huang, Xin; Yin, Qiuxiang; Wang, Na; Hao, Hongxun","Coordination-induced conformation diversity for pharmaceutical polymorph control","CrystEngComm","2019","21","43","6585","","10.1039/C9CE01310E","","x-ray","1.54184","CuKα","","0.1173","0.0799","","","0.1988","0.2335","","","","","","0.978","","","","has coordinates","223542","2020-10-21","18:00:00","" "7234204","12.4803","0.0005","7.7683","0.0004","27.2802","0.0015","90","","90.8","0.004","90","","2644.6","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Co N12 Na2 O18 S8 -","- C36 H52 Co N12 Na2 O18 S8 -","- C72 H104 Co2 N24 Na4 O36 S16 -","2","0.5","","Kang, Juan; Wang, Yongli; Chen, Yifu; Huang, Xin; Yin, Qiuxiang; Wang, Na; Hao, Hongxun","Coordination-induced conformation diversity for pharmaceutical polymorph control","CrystEngComm","2019","21","43","6585","","10.1039/C9CE01310E","","x-ray","0.71073","MoKα","","0.0735","0.0535","","","0.1272","0.1464","","","","","","1.042","","","","has coordinates,has disorder","223542","2020-10-21","18:00:00","" "7234205","8.0702","0.0003","10.9452","0.0004","31.8143","0.0012","90","","90","","90","","2810.16","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Mo N3 O5 -","- C14 H11 Mo N3 O5 -","- C112 H88 Mo8 N24 O40 -","8","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0398","0.0298","","","0.0671","0.0714","","","","","","1.06","","","","has coordinates","223508","2020-10-21","18:00:00","" "7234206","6.6351","0.0003","7.6159","0.0003","16.3967","0.0008","91.525","0.003","93.644","0.004","95.79","0.003","822.21","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Mo N3 O6 -","- C15 H15 Mo N3 O6 -","- C30 H30 Mo2 N6 O12 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0343","0.0301","","","0.0727","0.0749","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:27","" "7234207","8.9395","0.0004","12.0713","0.0004","16.8359","0.0006","90","","95.768","0.004","90","","1807.59","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl Mo N3 O6 -","- C15 H16 Cl Mo N3 O6 -","- C60 H64 Cl4 Mo4 N12 O24 -","4","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0539","0.0289","","","0.0502","0.053","","","","","","0.837","","","","has coordinates","301866","2025-08-22","21:38:27","" "7234208","7.6639","0.0004","9.7687","0.0004","11.6636","0.0004","76.424","0.003","76.154","0.004","89.268","0.006","823.28","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Mo N3 O6 -","- C15 H15 Mo N3 O6 -","- C30 H30 Mo2 N6 O12 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0296","0.0246","","","0.0593","0.0612","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:27","" "7234209","8.9754","0.0002","12.0144","0.0009","16.8807","0.0006","90","","96.192","0.003","90","","1809.69","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br Mo N3 O6 -","- C15 H16 Br Mo N3 O6 -","- C60 H64 Br4 Mo4 N12 O24 -","4","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0335","0.026","","","0.0536","0.0562","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:27","" "7234210","7.239","0.0003","10.6694","0.0004","11.841","0.0004","106.795","0.003","95.133","0.003","104.217","0.003","835.94","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Mo N3 O6 -","- C15 H15 Mo N3 O6 -","- C30 H30 Mo2 N6 O12 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0288","0.0231","","","0.0541","0.0559","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:27","" "7234211","7.6699","0.0002","13.2183","0.0003","10.0377","0.0002","90","","92.579","0.002","90","","1016.62","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 Mo N4 O10 -","- C16 H20 Mo N4 O10 -","- C32 H40 Mo2 N8 O20 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.021","0.0204","","","0.0501","0.0507","","","","","","1.084","","","","has coordinates","301866","2025-08-22","21:38:27","" "7234212","7.234","0.0003","13.889","0.0006","10.451","0.0005","90","","100.841","0.004","90","","1031.3","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H19 Mo N3 O10 S -","- C16 H19 Mo N3 O10 S -","- C32 H38 Mo2 N6 O20 S2 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0212","0.0207","","","0.0508","0.0511","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:27","" "7234213","6.6377","0.0004","10.1622","0.0006","11.6931","0.0006","97.524","0.005","94.078","0.004","93.698","0.005","777.8","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Mo N3 O6 -","- C14 H13 Mo N3 O6 -","- C28 H26 Mo2 N6 O12 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0776","0.0565","","","0.126","0.1319","","","","","","1.126","","","","has coordinates","301866","2025-08-22","21:38:27","" "7234221","13.2","0.003","12.855","0.003","11.449","0.002","90","","90","","90","","1942.7","0.7","220","2","220","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.61","synchrotron","","0.0477","0.0453","","","0.1204","0.122","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:27","" "7234222","9.487","0.0019","13.015","0.003","15.666","0.003","90","","93.28","0.03","90","","1931.2","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.6","synchrotron","","0.0575","0.0445","","","0.1234","0.13","","","","","","1.071","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27","" "7234223","16.062","0.003","15.69","0.003","8.034","0.0016","90","","98.04","0.03","90","","2004.8","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0533","0.0435","","","0.1236","0.1304","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:27","" "7234224","9.086","0.0018","13.597","0.003","16.25","0.003","90","","97.35","0.03","90","","1991.1","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0661","0.0543","","","0.1695","0.1774","","","","","","1.154","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27","" "7234225","8.971","0.0018","13.595","0.003","16.421","0.003","90","","96.7","0.03","90","","1989","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Br N2 -","- C27 H17 Br N2 -","- C108 H68 Br4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.6","synchrotron","","0.0451","0.0344","","","0.0908","0.0942","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:27","" "7234226","13.351","0.003","12.726","0.003","11.533","0.002","90","","90","","90","","1959.5","0.7","220","2","220","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H17 F N2 -","- C27 H17 F N2 -","- C108 H68 F4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.61","synchrotron","","0.0444","0.0437","","","0.116","0.1169","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:27","" "7234227","9.4","0.0019","13.351","0.003","15.562","0.003","90","","97.44","0.03","90","","1936.6","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 F N2 -","- C27 H17 F N2 -","- C108 H68 F4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0682","0.0559","","","0.1636","0.1716","","","","","","1.097","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27","" "7234228","9.081","0.0018","13.6","0.003","16.245","0.003","90","","97.35","0.03","90","","1989.8","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0634","0.0545","","","0.166","0.1734","","","","","","1.112","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27","" "7234229","15.974","0.003","15.801","0.003","7.996","0.0016","90","","98.1","0.03","90","","1998.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Br N2 -","- C27 H17 Br N2 -","- C108 H68 Br4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.6","synchrotron","","0.0421","0.0337","","","0.0902","0.0936","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:27","" "7234230","9.407","0.0019","13.348","0.003","15.571","0.003","90","","97.33","0.03","90","","1939.2","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 F N2 -","- C27 H17 F N2 -","- C108 H68 F4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0546","0.048","","","0.139","0.1445","","","","","","1.06","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27","" "7234231","14.47","0.003","8.437","0.0017","17.241","0.003","90","","110.23","0.03","90","","1975","0.8","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.61","synchrotron","","0.0523","0.0477","","","0.1404","0.1441","","","","","","1.089","","","","has coordinates","301866","2025-08-22","21:38:27","" "7234233","8.0668","0.0011","10.2716","0.0015","12.5958","0.0017","110.184","0.002","95.022","0.002","105.308","0.002","926.3","0.2","296","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H10 Co Mo3 N3 O15 -","- C7 H10 Co Mo3 N3 O15 -","- C14 H20 Co2 Mo6 N6 O30 -","2","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0381","0.0335","","","0.0992","0.1026","","","","","","1.04","","","","has coordinates","223563","2020-10-21","18:00:00","" "7234234","8.0455","0.0003","10.2229","0.0004","12.4994","0.0005","109.595","0.001","94.998","0.001","105.448","0.001","915.73","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H10 Mo3 N3 Ni O15 -","- C7 H10 Mo3 N3 Ni O15 -","- C14 H20 Mo6 N6 Ni2 O30 -","2","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0301","0.0253","","","0.068","0.0706","","","","","","1.044","","","","has coordinates","223563","2020-10-21","18:00:00","" "7234235","12.2427","0.0005","12.7055","0.0005","12.9947","0.0005","117.286","0.001","101.658","0.001","104.99","0.001","1609.7","0.11","296","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 Cd Mo4 N9 O18 -","- C21 H20 Cd Mo4 N9 O18 -","- C42 H40 Cd2 Mo8 N18 O36 -","2","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0476","0.0335","","","0.0677","0.0734","","","","","","1.032","","","","has coordinates","223563","2020-10-21","18:00:00","" "7234236","8.1287","0.0011","11.5708","0.0016","15.695","0.002","105.595","0.003","101.843","0.002","104.487","0.002","1316.6","0.3","296","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 Mo4 N6 O18 Zn -","- C14 H16 Mo4 N6 O18 Zn -","- C28 H32 Mo8 N12 O36 Zn2 -","2","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0554","0.0361","","","0.0729","0.0811","","","","","","1.013","","","","has coordinates","223563","2020-10-21","18:00:00","" "7234237","12.9855","0.0005","19.6775","0.0007","7.6312","0.0003","90","","102.926","0.001","90","","1900.53","0.12","296","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Mo3 N6 O13 Zn -","- C10 H14 Mo3 N6 O13 Zn -","- C40 H56 Mo12 N24 O52 Zn4 -","4","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0291","0.0228","","","0.0578","0.0608","","","","","","1.018","","","","has coordinates","223563","2020-10-21","18:00:00","" "7234275","7.293","0.0015","7.0892","0.0014","14.699","0.003","90","","90","","90","","760","0.3","153.15","","153.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- Li2 Na2 O9 P2 Ti -","- Li2 Na2 O9 P2 Ti -","- Li8 Na8 O36 P8 Ti4 -","4","0.5","","Duan, Meihong; Li, Rukang","Li2Na2TiP2O9: an ordered Na4TiP2O9-type crystal with ion-exchange properties","CrystEngComm","2019","21","43","6514","","10.1039/C9CE01314H","","","0.71073","MoKα","","0.1016","0.0835","","","0.164","0.1739","","","","","","1.208","","","","has coordinates","223538","2020-10-21","18:00:00","" "7234276","4.1332","0.0005","8.4034","0.0009","10.1872","0.0011","90.8565","0.0014","96.407","0.0014","101.47","0.0015","344.35","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1","","- C10 H8 Cl2 I2 N2 Pd -","- C10 H8 Cl2 I2 N2 Pd -","- C10 H8 Cl2 I2 N2 Pd -","1","0.5","","Mroz, D.; George, J.; Kremer, M.; Wang, R.; Englert, U.; Dronskowski, R.","A new tool for validating theoretically derived anisotropic displacement parameters with experiment: directionality of prolate displacement ellipsoids","CrystEngComm","2019","21","42","6396","","10.1039/C9CE00794F","","","0.71073","MoKα","","0.0248","0.0205","","","0.0475","0.0491","","","","","","1.104","","","","has coordinates","223562","2020-10-21","18:00:00","" "7234277","7.5636","0.00011","6.5661","0.0001","9.5826","0.00013","90","","116.607","0.0009","90","","425.506","0.011","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3","","- C4 H12 N2 Ni O6 -","- C4 H12 N2 Ni O6 -","- C8 H24 N4 Ni2 O12 -","2","0.5","","Mroz, D.; George, J.; Kremer, M.; Wang, R.; Englert, U.; Dronskowski, R.","A new tool for validating theoretically derived anisotropic displacement parameters with experiment: directionality of prolate displacement ellipsoids","CrystEngComm","2019","21","42","6396","","10.1039/C9CE00794F","","","0.71073","MoKα","","0.0226","0.0203","","","0.0484","0.0495","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:27","" "7234278","8.505","0.004","9.781","0.004","7.345","0.003","90","","96.148","0.007","90","","607.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2","","- C6 H14 N4 Ni O2 S2 -","- C6 H14 N4 Ni O2 S2 -","- C12 H28 N8 Ni2 O4 S4 -","2","0.5","","Mroz, D.; George, J.; Kremer, M.; Wang, R.; Englert, U.; Dronskowski, R.","A new tool for validating theoretically derived anisotropic displacement parameters with experiment: directionality of prolate displacement ellipsoids","CrystEngComm","2019","21","42","6396","","10.1039/C9CE00794F","","","0.71073","MoKα","","0.0339","0.0277","","","0.0625","0.0652","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:27","" "7234314","26.035","0.008","4.7746","0.0016","9.927","0.004","90","","99.8","0.02","90","","1216","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 I N3 O -","- C11 H10 I N3 O -","- C44 H40 I4 N12 O4 -","4","1","","Sarkar, Nandini; Sinha, Abhijeet S.; Aakeröy, Christer B.","Systematic investigation of hydrogen-bond propensities for informing co-crystal design and assembly","CrystEngComm","2019","21","40","6048","","10.1039/C9CE01196J","","","0.71073","MoKα","","0.0824","0.0463","","","0.1433","0.1792","","","","","","1.081","","","","has coordinates","301866","2025-08-22","21:38:28","" "7234315","10.478","0.003","10.115","0.003","13.052","0.004","90","","106.83","0.012","90","","1324.1","0.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N3 O2 -","- C14 H14 N3 O2 -","- C56 H56 N12 O8 -","4","1","","Sarkar, Nandini; Sinha, Abhijeet S.; Aakeröy, Christer B.","Systematic investigation of hydrogen-bond propensities for informing co-crystal design and assembly","CrystEngComm","2019","21","40","6048","","10.1039/C9CE01196J","","","0.71073","MoKα","","0.0942","0.0489","","","0.1188","0.1422","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:28","" "7234316","4.446","0.0014","13.03","0.004","19.52","0.007","90","","90","","90","","1130.8","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 I N3 -","- C11 H8 I N3 -","- C44 H32 I4 N12 -","4","1","","Sarkar, Nandini; Sinha, Abhijeet S.; Aakeröy, Christer B.","Systematic investigation of hydrogen-bond propensities for informing co-crystal design and assembly","CrystEngComm","2019","21","40","6048","","10.1039/C9CE01196J","","","0.71073","MoKα","","0.1254","0.0539","","","0.0871","0.1061","","","","","","0.972","","","","has coordinates","301866","2025-08-22","21:38:28","" "7234395","12.4552","0.0012","14.2434","0.0014","13.5827","0.0013","90","","101.738","0.003","90","","2359.2","0.4","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N4 -","- C32 H24 N4 -","- C128 H96 N16 -","4","1","","Hu, Wangqin; Yang, Wen; Gong, Tingfeng; Zhou, Weiqun; Zhang, Yuhan","Multi-stimuli responsive properties switch by intra- and inter-molecular charge transfer constructed from triphenylamine derivative","CrystEngComm","2019","21","43","6630","","10.1039/C9CE01217F","","","0.71073","MoKα","","0.0789","0.0587","","","0.156","0.1731","","","","","","1.086","","","","has coordinates","301866","2025-08-22","21:38:28","" "7234434","20.823","0.004","12.791","0.003","22.346","0.004","90","","103.89","0.03","90","","5778","2","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H14 Dy2 F36 N4 O14 -","- C38 H14 Dy2 F36 N4 O14 -","- C152 H56 Dy8 F144 N16 O56 -","4","0.5","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.107","0.0531","","","0.0814","0.0956","","","","","","0.998","","","","has coordinates,has disorder","223509","2020-10-21","18:00:00","" "7234435","21.08","0.004","12.93","0.003","22.428","0.005","90","","104.26","0.03","90","","5925","2","133.15","","133.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H14 F36 N4 O14 Tb2 -","- C38 H14 F36 N4 O14 Tb2 -","- C152 H56 F144 N16 O56 Tb8 -","4","0.5","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0827","0.0671","","","0.1717","0.1879","","","","","","1.173","","","","has coordinates","223509","2020-10-21","18:00:00","" "7234436","20.537","0.004","12.827","0.003","21.849","0.004","90","","104.98","0.03","90","","5560","2","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H14 F36 Ho2 N4 O14 -","- C38 H14 F36 Ho2 N4 O14 -","- C152 H56 F144 Ho8 N16 O56 -","4","0.5","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0312","0.0277","","","0.0596","0.0611","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:28","" "7234437","24.768","0.008","15.634","0.004","19.349","0.006","90","","123.945","0.005","90","","6215","3","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H11 F18 N2 O8 Tb -","- C25 H11 F18 N2 O8 Tb -","- C200 H88 F144 N16 O64 Tb8 -","8","1","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0769","0.0758","","","0.2162","0.2169","","","","","","0.971","","","","has coordinates","223509","2020-10-21","18:00:00","" "7234438","24.222","0.006","16.502","0.007","19.343","0.008","90","","122.37","0.02","90","","6530","4","133.15","","133.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H11 Dy F18 N2 O8 -","- C25 H11 Dy F18 N2 O8 -","- C200 H88 Dy8 F144 N16 O64 -","8","1","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0963","0.0557","","","0.1444","0.1835","","","","","","1.079","","","","has coordinates","223509","2020-10-21","18:00:00","" "7234439","24.135","0.005","16.538","0.003","19.338","0.004","90","","122.23","0.03","90","","6529","3","133.15","","133.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H11 F18 Ho N2 O8 -","- C25 H11 F18 Ho N2 O8 -","- C200 H88 F144 Ho8 N16 O64 -","8","1","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0624","0.0482","","","0.1238","0.1348","","","","","","1.018","","","","has coordinates","223509","2020-10-21","18:00:00","" "7234440","16.9943","0.0007","14.9296","0.0005","17.2155","0.0006","90","","117.37","0.005","90","","3878.9","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Fe(PM-PeA)2(NCSe)2]-polymorph-II","","- C42 H28 Fe N6 Se2 -","- C42 H28 Fe N6 Se2 -","- C168 H112 Fe4 N24 Se8 -","4","1","","Tailleur, Elodie; Marchivie, Mathieu; Negrier, Philippe; Denux, Dominique; Massip, Stéphane; Mondieig, Denise; Chastanet, Guillaume; Guionneau, Philippe","Using polymorphism to master the spin crossover mechanism in [Fe(PM-PeA)2(NCSe)2]","CrystEngComm","2019","21","41","6246","","10.1039/C9CE01137D","","x-ray","1.54184","CuKα","","0.0737","0.0561","","","0.1645","0.1775","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:28","" "7234441","16.8161","0.0003","14.6779","0.0002","17.1039","0.0003","90","","117.901","0.003","90","","3730.93","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Fe(PM-PeA)2(NCSe)2]_polymorph-II","","- C42 H28 Fe N6 Se2 -","- C42 H28 Fe N6 Se2 -","- C168 H112 Fe4 N24 Se8 -","4","1","","Tailleur, Elodie; Marchivie, Mathieu; Negrier, Philippe; Denux, Dominique; Massip, Stéphane; Mondieig, Denise; Chastanet, Guillaume; Guionneau, Philippe","Using polymorphism to master the spin crossover mechanism in [Fe(PM-PeA)2(NCSe)2]","CrystEngComm","2019","21","41","6246","","10.1039/C9CE01137D","","x-ray","1.54184","CuKα","","0.0529","0.0492","","","0.1422","0.1452","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:28","" "7234530","4.0393","0.0001","11.2187","0.0004","16.2922","0.0004","90","","90","","90","","738.29","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Fluoro-6-(pyrazol-1-yl)pyridine","","- C8 H6 F N3 -","- C8 H6 F N3 -","- C32 H24 F4 N12 -","4","1","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0293","0.0277","","","0.077","0.0786","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:28","" "7234531","12.5794","0.0009","3.8549","0.0003","20.4981","0.0014","90","","103.627","0.007","90","","966.02","0.12","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(Pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine","","- C10 H8 N6 -","- C10 H8 N6 -","- C40 H32 N24 -","4","1","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0685","0.0523","","","0.1268","0.1351","","","","","","1.135","","","","has coordinates","301866","2025-08-22","21:38:28","" "7234532","19.919","0.0003","15.3887","0.0003","18.5909","0.0003","90","","101.152","0.002","90","","5591.02","0.17","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]- bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II) tetrakis-tetrafluoroborate hydrate (2/1.34) nitromethane solvate","","- C41 H41.68 B4 F16 Fe2 N25 O5.34 -","- C41 H39 B4 F16 Fe2 N25 O5.34 -","- C164 H156 B16 F64 Fe8 N100 O21.36 -","4","0.5","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0639","0.062","","","0.1594","0.1611","","","","","","1.035","","","","has coordinates,has disorder","223554","2020-10-21","18:00:00","" "7234533","19.9189","0.0006","15.8603","0.0005","18.7484","0.0004","90","","99.528","0.002","90","","5841.3","0.3","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]- bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II) tetrakis-tetrafluoroborate hydrate (2/1) nitromethane solvate","","- C41 H41 B4 F16 Fe2 N25 O5 -","- C41 H39 B4 F16 Fe2 N25 O5 -","- C164 H156 B16 F64 Fe8 N100 O20 -","4","0.5","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.1236","0.0848","","","0.2212","0.2496","","","","","","1.031","","","","has coordinates,has disorder","223554","2020-10-21","18:00:00","" "7234534","19.9235","0.0005","15.5984","0.0005","18.6533","0.0004","90","","100.512","0.002","90","","5699.7","0.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]- bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II) tetrakis-tetrafluoroborate hydrate (2/1.34) nitromethane solvate","","- C41 H41.68 B4 F16 Fe2 N25 O5.34 -","- C41 H39 B4 F16 Fe2 N25 O5.34 -","- C164 H156 B16 F64 Fe8 N100 O21.36 -","4","0.5","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.085","0.082","","","0.2271","0.2314","","","","","","1.029","","","","has coordinates,has disorder","223554","2020-10-21","18:00:00","" "7234535","19.901","0.0005","15.9683","0.0004","18.7282","0.0006","90","","99.397","0.003","90","","5871.7","0.3","290","2","290","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]- bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II) tetrakis-tetrafluoroborate hydrate (2/0.66) nitromethane solvate","","- C41 H40.32 B4 F16 Fe2 N25 O4.66 -","- C41 H39 B4 F16 Fe2 N25 O4.66 -","- C164 H156 B16 F64 Fe8 N100 O18.64 -","4","0.5","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0899","0.0834","","","0.2363","0.2454","","","","","","1.043","","","","has coordinates,has disorder","223554","2020-10-21","18:00:00","" "7234601","5.732","0.0003","11.2839","0.0006","12.309","0.0007","83.794","0.002","82.313","0.002","77.034","0.002","766.35","0.07","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl2 I N -","- C16 H11 Cl2 I N -","- C32 H22 Cl4 I2 N2 -","2","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.0638","0.037","","","0.066","0.085","","","","","","1.053","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28","" "7234602","5.6832","0.0002","11.0865","0.0004","12.2076","0.0005","82.9822","0.0014","82.3948","0.0012","77.3857","0.0012","740.53","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl2 I N -","- C16 H11 Cl2 I N -","- C32 H22 Cl4 I2 N2 -","2","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.0162","0.0157","","","0.0387","0.039","","","","","","0.985","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28","" "7234603","5.7219","0.0002","11.2301","0.0004","12.2908","0.0004","83.6745","0.0016","82.3392","0.0014","77.163","0.0014","760.51","0.05","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl2 I N -","- C16 H11 Cl2 I N -","- C32 H22 Cl4 I2 N2 -","2","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.0539","0.0361","","","0.0646","0.0796","","","","","","1.061","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28","" "7234604","10.9466","0.0005","16.4851","0.0007","8.6575","0.0003","90","","96.0062","0.0019","90","","1553.72","0.11","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl2 I N -","- C16.072 H11.072 Cl1.9498 I1.0251 N -","- C64.288 H44.288 Cl7.7992 I4.1004 N4 -","4","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.1405","0.0662","","","0.0704","0.0794","","","","","","1.082","","","","has coordinates,has disorder","223540","2020-10-21","18:00:00","" "7234605","10.9007","0.0003","16.4319","0.0004","8.6457","0.0002","90","","96.2379","0.001","90","","1539.44","0.07","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl2 I N -","- C16.092 H11.092 Cl1.954 I1.023 N -","- C64.368 H44.368 Cl7.816 I4.092 N4 -","4","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.0554","0.0328","","","0.0638","0.0762","","","","","","1.141","","","","has coordinates,has disorder","223540","2020-10-21","18:00:00","" "7234691","32.4701","0.0018","16.2657","0.0009","10.7306","0.0006","90","","90","","90","","5667.4","0.5","100","2","100.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C64 H64 N4 O14 -","- C64 H64 N4 O14 -","- C256 H256 N16 O56 -","4","1","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.7749","Synchrotron","","0.0515","0.0404","","","0.0927","0.0988","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:28","" "7234692","12.4398","0.0005","27.9839","0.0011","15.9403","0.0006","90","","91.647","0.002","90","","5546.8","0.4","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H65 Mn N3 O20 -","- C57 H55 Mn N3 O20 -","- C228 H220 Mn4 N12 O80 -","4","0.5","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.7749","Synchrotron","","0.1058","0.0852","","","0.2477","0.2733","","","","","","1.041","","","","has coordinates,has disorder","223533","2020-10-21","18:00:00","" "7234693","14.8977","0.0004","29.2369","0.0009","12.7603","0.0005","90","","90","","90","","5557.9","0.3","100","2","100.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C55 H49 Cu N3 O14 -","- C56.333 H42 Cu N2 O14 -","- C225.332 H168 Cu4 N8 O56 -","4","0.5","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.7749","Synchrotron","","0.0707","0.0654","","","0.1786","0.1843","","","","","","1.062","","","","has coordinates,has disorder","223533","2020-10-21","18:00:00","" "7234694","17.772","0.0018","11.6573","0.0012","29.512","0.003","90","","101.183","0.003","90","","5998","1.1","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H68 N8 O18 -","- C60 H60 N8 O18 -","- C240 H240 N32 O72 -","4","1","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.71073","MoKα","","0.1468","0.0883","","","0.2359","0.2817","","","","","","1.028","","","","has coordinates,has disorder","223533","2020-10-21","18:00:00","" "7234916","7.7024","0.0011","15.716","0.002","18.368","0.003","90","","90","","90","","2223.5","0.6","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Cl4 N4 O -","- C18 H30 Cl4 N4 O -","- C72 H120 Cl16 N16 O4 -","4","1","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0342","0.0323","","","0.0775","0.0789","","","","","","1.12","","","","has coordinates","301866","2025-08-22","21:38:29","" "7234917","6.9923","0.0005","14.3694","0.001","12.7878","0.0009","90","","101.514","0.002","90","","1259","0.15","298","","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl6 Cu N4 O -","- C18 H30 Cl6 Cu N4 O -","- C36 H60 Cl12 Cu2 N8 O2 -","2","1","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0377","0.0368","","","0.0973","0.0979","","","","","","1.074","","","","has coordinates","223240","2020-10-21","18:00:00","" "7234918","9.8247","0.0004","9.8247","0.0004","32.973","0.002","90","","90","","120","","2756.3","0.2","298","","298","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C18 H24 Cl2 Cu N4 -","- C18 H24 Cl2 Cu N4 -","- C108 H144 Cl12 Cu6 N24 -","6","0.5","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0333","0.0322","","","0.0783","0.0789","","","","","","1.174","","","","has coordinates","223240","2020-10-21","18:00:00","" "7234919","13.7107","0.0008","23.0021","0.0014","7.9717","0.0004","90","","90","","90","","2514.1","0.2","150","2","149.65","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H28 Cl6 Cu N4 -","- C18 H28 Cl6 Cu N4 -","- C72 H112 Cl24 Cu4 N16 -","4","1","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0864","0.0646","","","0.1546","0.1669","","","","","","1.036","","","","has coordinates,has disorder","223240","2020-10-21","18:00:00","" "7234920","16.54","0.02","5.411","0.007","17.9","0.02","90","","100.47","0.02","90","","1575","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","metropolol","1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol]","","- C15 H25 N O3 -","- C15 H25 N O3 -","- C60 H100 N4 O12 -","4","1","","Ciciliati, Mariani A.; Eusébio, M. Ermelinda S.; Silva, Manuela Ramos; Cavalheiro, Éder T. G.; Castro, Ricardo A. E.","Metoprolol: solid forms of a top selling antihypertensive","CrystEngComm","2019","21","29","4319","","10.1039/C9CE00700H","","","0.71073","MoKα","","0.4226","0.079","","","0.0901","0.1541","","","","","","0.857","","","","has coordinates","301866","2025-08-22","21:38:29","" "7234921","8.174","0.0017","9.264","0.002","14.884","0.003","98.244","0.005","96.622","0.004","99.623","0.005","1088.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-hydroxy-N-isopropyl-3-(4-(2-methoxyethyl)phenoxy)propan-1-aminium nicotinate","","- C21 H30 N2 O5 -","- C21 H30 N2 O5 -","- C42 H60 N4 O10 -","2","1","","Ciciliati, Mariani A.; Eusébio, M. Ermelinda S.; Silva, Manuela Ramos; Cavalheiro, Éder T. G.; Castro, Ricardo A. E.","Metoprolol: solid forms of a top selling antihypertensive","CrystEngComm","2019","21","29","4319","","10.1039/C9CE00700H","","","0.71073","MoKα","","0.2085","0.0779","","","0.2109","0.2763","","","","","","0.975","","","","has coordinates","301866","2025-08-22","21:38:29","" "7234922","22.5314","0.0007","18.9885","0.0008","7.8845","0.0003","90","","90","","90","","3373.3","0.2","300","2","300.15","","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C6 H16 Br5 N2 Sb -","- C6 H16 Br5 N2 Sb -","- C48 H128 Br40 N16 Sb8 -","8","1","","Li, Maofan; Teng, Bing; Han, Shiguo; Yang, Tao; Li, Yaobin; Liu, Yi; Zhang, Xinyuan; Liu, Xitao; Luo, Junhua; Sun, Zhihua","Near-room-temperature tunable dielectric response induced by dual phase transitions in a lead-free hybrid: (C3H8N)2SbBr5","CrystEngComm","2019","21","24","3740","","10.1039/C9CE00458K","","","0.71073","MoKα","","0.1203","0.0527","","","0.1171","0.1477","","","","","","1.005","","","","has coordinates","223242","2020-10-21","18:00:00","" "7234923","11.894","0.002","19.099","0.004","7.8047","0.0016","90","","108.91","0.03","90","","1677.3","0.6","270","2","270","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Br5 N2 Sb -","- C6 H16 Br5 N2 Sb -","- C24 H64 Br20 N8 Sb4 -","4","1","","Li, Maofan; Teng, Bing; Han, Shiguo; Yang, Tao; Li, Yaobin; Liu, Yi; Zhang, Xinyuan; Liu, Xitao; Luo, Junhua; Sun, Zhihua","Near-room-temperature tunable dielectric response induced by dual phase transitions in a lead-free hybrid: (C3H8N)2SbBr5","CrystEngComm","2019","21","24","3740","","10.1039/C9CE00458K","","","0.71073","MoKα","","0.0415","0.0313","","","0.0643","0.0691","","","","","","1.019","","","","has coordinates","223242","2020-10-21","18:00:00","" "7234924","22.4485","0.0006","18.9653","0.0005","7.9488","0.0002","90","","90","","90","","3384.14","0.15","325","2","325.15","","","","","","","","","5","B b e m","-B 2 2ab","64","","","","- C6 H16 Br5 N2 Sb -","- C6 H16 Br5 N2 Sb -","- C48 H128 Br40 N16 Sb8 -","8","0.5","","Li, Maofan; Teng, Bing; Han, Shiguo; Yang, Tao; Li, Yaobin; Liu, Yi; Zhang, Xinyuan; Liu, Xitao; Luo, Junhua; Sun, Zhihua","Near-room-temperature tunable dielectric response induced by dual phase transitions in a lead-free hybrid: (C3H8N)2SbBr5","CrystEngComm","2019","21","24","3740","","10.1039/C9CE00458K","","","0.71073","MoKα","","0.0741","0.0454","","","0.1136","0.129","","","","","","1.023","","","","has coordinates,has disorder","223242","2020-10-21","18:00:00","" "7234925","11.2465","0.0003","11.2465","0.0003","11.2217","0.0006","90","","90","","120","","1229.2","0.08","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ba0.5 Ga0.33 I2 O6 -","- Ba0.5 Ga0.333333 I2 O6 -","- Ba4.5 Ga3 I18 O54 -","9","0.5","","Xiao, Lei; You, Fengguang; Gong, Pifu; Hu, Zhanggui; Lin, Zheshuai","Synthesis and structure of a new mixed metal iodate Ba3Ga2(IO3)12","CrystEngComm","2019","21","33","4981","","10.1039/C9CE00814D","","","0.71073","MoKα","","0.0409","0.0397","","","0.0941","0.0948","","","","","","1.083","","","","has coordinates","223244","2020-10-21","18:00:00","" "7234926","12.5378","0.0017","12.7153","0.0017","21.843","0.003","90","","102.085","0.004","90","","3405.1","0.8","173","","173","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H26 Cd N4 O7 -","- C41 H26 Cd N4 O7 -","- C164 H104 Cd4 N16 O28 -","4","1","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0756","0.0467","","","0.0989","0.1119","","","","","","0.974","","","","has coordinates","223245","2020-10-21","18:00:00","" "7234927","9.9901","0.0009","10.2697","0.001","21.862","0.002","86.042","0.002","87.985","0.002","63.233","0.002","1997.8","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H30 Cd3 N4 O16 -","- C43 H30 Cd3 N4 O16 -","- C86 H60 Cd6 N8 O32 -","2","1","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.05","0.0389","","","0.0992","0.109","","","","","","1.04","","","","has coordinates","223245","2020-10-21","18:00:00","" "7234928","9.7767","0.0008","10.1909","0.0008","12.5613","0.001","66.905","0.001","74.382","0.002","71.258","0.002","1075.35","0.15","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Cd3 N4 O18 -","- C40 H36 Cd3 N4 O18 -","- C40 H36 Cd3 N4 O18 -","1","0.5","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0282","0.0252","","","0.067","0.0692","","","","","","1.075","","","","has coordinates","223245","2020-10-21","18:00:00","" "7234929","9.6398","0.0008","12.1917","0.0011","25.562","0.002","90","","90","","90","","3004.2","0.4","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H22 Cd N4 O8 -","- C33 H22 Cd N4 O8 -","- C132 H88 Cd4 N16 O32 -","4","1","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0449","0.0365","","","0.0671","0.071","","","","","","1.014","","","","has coordinates,has disorder","223245","2020-10-21","18:00:00","" "7234930","14.0389","0.001","13.765","0.0009","28.8767","0.0018","90","","98.241","0.001","90","","5522.7","0.6","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H46 Cd3 N8 O16 -","- C58 H46 Cd3 N8 O16 -","- C232 H184 Cd12 N32 O64 -","4","0.5","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0318","0.0267","","","0.0577","0.0597","","","","","","1.058","","","","has coordinates","223245","2020-10-21","18:00:00","" "7234931","21.5195","0.0007","8.8433","0.0003","16.5517","0.0005","90","","90.697","0.003","90","","3149.61","0.18","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 I5 O3 -","- C9 H7 I5 O3 -","- C72 H56 I40 O24 -","8","2","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0386","0.0266","","","0.0499","0.0547","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:29","" "7234932","37.861","0.003","9.2563","0.0005","9.274","0.0005","90","","90","","90","","3250.1","0.4","130","2","130","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C7 H4 I5 K O4 -","- C7 I5 K O4 -","- C56 I40 K8 O32 -","8","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0356","0.0321","","","0.0834","0.0859","","","","","","1.109","","","","has coordinates,has disorder","223246","2020-10-21","18:00:00","" "7234933","17.9973","0.0006","11.054","0.0005","10.3194","0.0004","90","","90","","90","","2052.96","0.14","130","2","130","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H16 I5 N O2 -","- C13 H16 I5 N O2 -","- C52 H64 I20 N4 O8 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0417","0.0385","","","0.0856","0.0874","","","","","","1.107","","","","has coordinates","301866","2025-08-22","21:38:29","" "7234934","8.2333","0.0004","15.4642","0.0009","20.9533","0.0009","90","","90","","90","","2667.8","0.2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 I5 N2 O3 -","- C19 H29 I5 N2 O3 -","- C76 H116 I20 N8 O12 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0383","0.0322","","","0.0584","0.0614","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:29","" "7234935","8.324","0.0004","16.4369","0.0006","9.5423","0.0004","90","","98.004","0.004","90","","1292.87","0.1","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H28 I5 N O2 -","- C19 H28 I5 N O2 -","- C38 H56 I10 N2 O4 -","2","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0332","0.0314","","","0.069","0.07","","","","","","1.064","","","","has coordinates","223246","2020-10-21","18:00:00","" "7234936","7.006","0.005","9.684","0.005","11.987","0.005","69.91","0.005","89.44","0.005","84.97","0.005","760.7","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H13 Cl4 N3 O Sn -","- C9 H13 Cl4 N3 O Sn -","- C18 H26 Cl8 N6 O2 Sn2 -","2","1","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","1.5418","CuKα","","0.1083","0.0743","","","0.1708","0.204","","","","","","1.061","","","","has coordinates","223248","2020-10-21","18:00:00","" "7234937","7.0873","0.0002","18.2022","0.0006","20.2832","0.0007","90","","90","","90","","2616.62","0.15","290","2","290","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C18 H18 Cl6 N4 O2 Sn -","- C18 H18 Cl6 N4 O2 Sn -","- C72 H72 Cl24 N16 O8 Sn4 -","4","0.25","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","1.5418","CuKα","","0.0628","0.0474","","","0.1185","0.13","","","","","","1.052","","","","has coordinates","223248","2020-10-21","18:00:00","" "7234938","8.472","0.0011","20.459","0.003","7.199","0.0016","90","","96.958","0.016","90","","1238.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","0.71073","MoKα","","0.1063","0.0521","","","0.1136","0.1407","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:29","" "7234939","11.7417","0.0014","9.6253","0.0015","22.1211","0.0015","90","","99.154","0.008","90","","2468.2","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H41 N3 O3 -","- C25 H41 N3 O3 -","- C100 H164 N12 O12 -","4","1","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","0.71073","MoKα","","0.0746","0.0482","","","0.1033","0.1187","","","","","","1.027","","","","has coordinates","223248","2020-10-21","18:00:00","" "7234940","17.8761","0.0015","20.1749","0.0011","31.536","0.003","90","","104.661","0.008","90","","11003.1","1.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H90 N8 O7 -","- C54 H90 N8 O7 -","- C432 H720 N64 O56 -","8","2","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","0.71073","MoKα","","0.136","0.076","","","0.1947","0.2331","","","","","","1.052","","","","has coordinates,has disorder","223248","2020-10-21","18:00:00","" "7234941","34.2069","0.0007","57.0341","0.0009","12.1673","0.0002","90","","90","","90","","23737.9","0.7","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C72.79 H45.79 Fe3 N4.36 O13 S6 -","- C72.79 H45.79 Fe3 N4.358 O13 S6 -","- C582.32 H366.32 Fe24 N34.864 O104 S48 -","8","1","","Vicent-Morales, María; Vitórica-Yrezábal, Iñigo J.; Souto, Manuel; Mínguez Espallargas, Guillermo","Influence of interpenetration on the flexibility of MUV-2","CrystEngComm","2019","21","19","3031","","10.1039/C9CE00233B","","x-ray","0.6889","Synchrotron","","0.1221","0.1143","","","0.3166","0.3262","","","","","","1.37","","","","has coordinates,has disorder","223249","2020-10-21","18:00:00","" "7234942","41.3632","0.0011","18.7393","0.0004","17.7052","0.0004","90","","90","","90","","13723.6","0.6","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C22.86 H14.62 N0.6 O8.12 Zn2 -","- C22.863 H14.609 N0.595 O8.121 Zn2 -","- C365.808 H233.744 N9.52 O129.936 Zn32 -","16","2","","Pan, Ying; Ding, Qiongjie; Xu, Hongjia; Shi, Chunyue; Singh, Amita; Kumar, Abhinav; Liu, Jianqiang","A new Zn(ii)-based 3D metal‒organic framework with uncommon sev topology and its photocatalytic properties for the degradation of organic dyes","CrystEngComm","2019","21","31","4578","","10.1039/C9CE00759H","","","0.71073","MoKα","","0.0847","0.07","","","0.17","0.1791","","","","","","1.062","","","","has coordinates,has disorder","223250","2020-10-21","18:00:00","" "7234943","14.223","0.002","19.574","0.003","19.197","0.003","90","","90","","90","","5344.5","1.4","103","2","103","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C19 H24 B Cu3 N9 S3 W -","- C19 H24 B Cu3 N9 S3 W -","- C152 H192 B8 Cu24 N72 S24 W8 -","8","0.5","","Liu, Quan; Xu, Hong-Juan; Yu, Li-Ce; Lu, Ming-Jie; Shang, Yan-Fang; Song, Ying-Lin; Zhang, Wen-Hua; Lang, Jian-Ping","Isoreticular Tp*‒W‒Cu‒S cluster-based one-dimensional coordination polymers with an uncommon [Tp*WS3Cu2] + [Cu] combination and their third-order nonlinear optical properties","CrystEngComm","2019","21","21","3343","","10.1039/C9CE00439D","","","0.71073","MoKα","","0.0523","0.0439","","","0.1551","0.1614","","","","","","1.077","","","","has coordinates","223251","2020-10-21","18:00:00","" "7234944","19.2754","0.0019","18.5717","0.0018","19.6406","0.0019","90","","90","","90","","7030.9","1.2","103","2","103","2","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C47 H59 B2 Cu6 N19 O S6 W2 -","- C47 H59 B2 Cu6 N19 O S6 W2 -","- C188 H236 B8 Cu24 N76 O4 S24 W8 -","4","0.5","","Liu, Quan; Xu, Hong-Juan; Yu, Li-Ce; Lu, Ming-Jie; Shang, Yan-Fang; Song, Ying-Lin; Zhang, Wen-Hua; Lang, Jian-Ping","Isoreticular Tp*‒W‒Cu‒S cluster-based one-dimensional coordination polymers with an uncommon [Tp*WS3Cu2] + [Cu] combination and their third-order nonlinear optical properties","CrystEngComm","2019","21","21","3343","","10.1039/C9CE00439D","","","0.71073","MoKα","","0.04","0.0286","","","0.0826","0.0946","","","","","","1.135","","","","has coordinates","223251","2020-10-21","18:00:00","" "7234945","19.161","0.003","22.823","0.004","19.486","0.003","90","","90","","90","","8521","2","103","2","103","2","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C28 H35 B Cu3 N10 O S3 W -","- C28 H35 B Cu3 N10 O S3 W -","- C224 H280 B8 Cu24 N80 O8 S24 W8 -","8","1","","Liu, Quan; Xu, Hong-Juan; Yu, Li-Ce; Lu, Ming-Jie; Shang, Yan-Fang; Song, Ying-Lin; Zhang, Wen-Hua; Lang, Jian-Ping","Isoreticular Tp*‒W‒Cu‒S cluster-based one-dimensional coordination polymers with an uncommon [Tp*WS3Cu2] + [Cu] combination and their third-order nonlinear optical properties","CrystEngComm","2019","21","21","3343","","10.1039/C9CE00439D","","","0.71073","MoKα","","0.1388","0.0877","","","0.2194","0.2557","","","","","","1.056","","","","has coordinates","223251","2020-10-21","18:00:00","" "7234946","14.3757","0.0017","14.3757","0.0017","14.3757","0.0017","90","","90","","90","","2970.9","0.6","293","2","293","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C24 H9 N3 O18 Sc2 -","- C24 H9 N3 O18 Sc2 -","- C96 H36 N12 O72 Sc8 -","4","0.166667","","Chai, Juan; Zhang, Ping; Shi, Xiangxiang; Sun, Jing; Wang, Li; Fan, Yong","Three helical chain-based 3D coordination polymers: solvent-induced syntheses, tunable structures and catalytic properties for the Strecker reaction","CrystEngComm","2019","21","36","5440","","10.1039/C9CE00972H","","","0.71073","MoKα","","0.0439","0.0395","","","0.1115","0.1142","","","","","","1.129","","","","has coordinates","223252","2020-10-21","18:00:00","" "7234947","22.401","0.003","22.401","0.003","11.964","0.002","90","","90","","90","","6003.6","1.5","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C8 H5 N O5 Sc -","- C8 H5 N O5 Sc -","- C128 H80 N16 O80 Sc16 -","16","0.5","","Chai, Juan; Zhang, Ping; Shi, Xiangxiang; Sun, Jing; Wang, Li; Fan, Yong","Three helical chain-based 3D coordination polymers: solvent-induced syntheses, tunable structures and catalytic properties for the Strecker reaction","CrystEngComm","2019","21","36","5440","","10.1039/C9CE00972H","","","0.71073","MoKα","","0.0692","0.0649","","","0.2007","0.2042","","","","","","1.223","","","","has coordinates","223252","2020-10-21","18:00:00","" "7234948","13.9899","0.0004","13.9899","0.0004","13.9899","0.0004","90","","90","","90","","2738.07","0.14","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C24 H15 N3 O12 Sc2 -","- C24 H15 N3 O12 Sc2 -","- C96 H60 N12 O48 Sc8 -","4","0.333333","","Chai, Juan; Zhang, Ping; Shi, Xiangxiang; Sun, Jing; Wang, Li; Fan, Yong","Three helical chain-based 3D coordination polymers: solvent-induced syntheses, tunable structures and catalytic properties for the Strecker reaction","CrystEngComm","2019","21","36","5440","","10.1039/C9CE00972H","","","0.71073","MoKα","","0.0464","0.0348","","","0.0655","0.0682","","","","","","0.946","","","","has coordinates","223252","2020-10-21","18:00:00","" "7234949","17.5069","0.0007","17.4747","0.0006","14.4628","0.0005","90","","109.016","0.001","90","","4183.1","0.3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Cd2 N8 O11 -","- C41 H39 Cd2 N8 O11 -","- C164 H156 Cd8 N32 O44 -","4","0.5","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.0748","0.0469","","","0.1069","0.1199","","","","","","1.012","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00","" "7234950","11.28","0.003","12.21","0.003","25.674","0.006","88.707","0.003","80.776","0.002","71.884","0.003","3315.9","1.4","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C156 H114 Cd2 N20 O17 -","- C156 H114 Cd2 N20 O17 -","- C156 H114 Cd2 N20 O17 -","1","0.5","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.111","0.056","","","0.1219","0.1397","","","","","","0.977","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00","" "7234951","26.7899","0.0014","9.0952","0.0005","25.996","0.0013","90","","90","","90","","6334.2","0.6","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C132 H108 N20 Ni4 O24 -","- C132 H108 N20 Ni4 O24 -","- C264 H216 N40 Ni8 O48 -","2","0.25","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.1139","0.0924","","","0.1876","0.1976","","","","","","1.193","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00","" "7234952","45.4283","0.0015","9.7068","0.0003","21.2371","0.0007","90","","109.192","0.001","90","","8844.3","0.5","190","","190.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C168 H168 Mn8 N32 O44 -","- C168 H168 Mn8 N32 O44 -","- C336 H336 Mn16 N64 O88 -","2","0.25","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.1152","0.0882","","","0.2375","0.2588","","","","","","1.05","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00","" "7234953","33.1406","0.0009","33.1406","0.0009","37.1579","0.0009","90","","90","","120","","35342.9","1.6","150.15","","150.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C44 H32 N8 Ni2 O9 -","- C37.656 H25.656 N7 Ni2 O8 -","- C677.808 H461.808 N126 Ni36 O144 -","18","0.5","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.0711","0.0497","","","0.1214","0.1283","","","","","","1.028","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00","" "7234975","7.3617","0.0006","9.6029","0.0008","13.0788","0.001","76.512","0.007","76.556","0.007","71.936","0.007","841.85","0.12","223","","223","","","","","","","","","7","P -1","-P 1","2","","Li[FSA]:MP=1:0.5","","- C4 H6 F4 Li2 N2 O11 S4 -","- C4 H6 F4 Li2 N2 O11 S4 -","- C8 H12 F8 Li4 N4 O22 S8 -","2","1","","Kondou, Shinji; Thomas, Morgan L.; Mandai, Toshihiko; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Ionic transport in highly concentrated lithium bis(fluorosulfonyl)amide electrolytes with keto ester solvents: structural implications for ion hopping conduction in liquid electrolytes.","Physical chemistry chemical physics : PCCP","2019","21","9","5097","5105","10.1039/c9cp00425d","","","0.71073","MoKα","","0.0762","0.052","","","0.1364","0.1553","","","","","","1.1084","","","","has coordinates","223439","2020-10-21","18:00:00","" "7234976","11.185","0.0005","10.466","0.0005","20.4745","0.0009","90","","90.679","0.004","90","","2396.62","0.19","223","2","223","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 F12 Li2 N2 O11 S4 -","- C9 H8 F12 Li2 N2 O11 S4 -","- C36 H32 F48 Li8 N8 O44 S16 -","4","1","","Kondou, Shinji; Thomas, Morgan L.; Mandai, Toshihiko; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Ionic transport in highly concentrated lithium bis(fluorosulfonyl)amide electrolytes with keto ester solvents: structural implications for ion hopping conduction in liquid electrolytes.","Physical chemistry chemical physics : PCCP","2019","21","9","5097","5105","10.1039/c9cp00425d","","x-ray","0.71073","MoKα","","0.0773","0.0621","","","0.171","0.1837","","","","","","1.0606","","","","has coordinates","223439","2020-10-21","18:00:00","" "7238378","11.209","0.002","12.6","0.003","14.572","0.003","91.81","0.03","111.78","0.03","107.79","0.03","1795.1","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H34 N4 -","- C48 H34 N4 -","- C96 H68 N8 -","2","1","","Li, Yue-Qin; Fang, Run-Chen; Zheng, An-Min; Chu, Yue-Ying; Tao, Xian; Xu, Hui-Hua; Ding, Shi-Jin; Shen, Ying-Zhong","Nonvolatile memory devices based on polyimides bearing noncoplanar twisted biphenyl units containing carbazole and triphenylamine side-chain groups","Journal of Materials Chemistry","2011","21","39","15643","","10.1039/c1jm12453f","","","0.71073","MoKα","","0.1521","0.0825","","","0.173","0.2118","","","","","","1.155","","","","has coordinates","301866","2025-08-22","21:38:35","" "7238379","14.0207","0.0002","9.8721","0.0001","19.5803","0.0003","90","","106.189","0.002","90","","2602.72","0.07","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H25 N3 -","- C37 H25 N3 -","- C148 H100 N12 -","4","1","","Chen, You-Ming; Hung, Wen-Yi; You, Hong-Wei; Chaskar, Atul; Ting, Hao-Chun; Chen, Hsiao-Fan; Wong, Ken-Tsung; Liu, Yi-Hung","Carbazole–benzimidazole hybrid bipolar host materials for highly efficient green and blue phosphorescent OLEDs","Journal of Materials Chemistry","2011","21","38","14971","","10.1039/c1jm12598b","","","1.54178","CuKα","","0.0424","0.0362","","","0.1153","0.1212","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:35","" "7238380","9.758","0.0012","12.2984","0.0013","18.563","0.002","99.104","0.003","103.488","0.002","102.84","0.002","2059.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H48 N2 S4 -","- C48 H48 N2 S4 -","- C96 H96 N4 S8 -","2","1","","Nishinaga, Tohru; Miyata, Toshihiko; Tateno, Masaki; Koizumi, Masahide; Takase, Masayoshi; Iyoda, Masahiko; Kobayashi, Norihito; Kunugi, Yoshihito","Synthesis and structural, electronic, optical and FET properties of thiophene–pyrrole mixed hexamers end-capped with phenyl and pentafluorophenyl groups","Journal of Materials Chemistry","2011","21","38","14959","","10.1039/c1jm12966j","","","0.71073","MoKα","","0.1222","0.055","","","0.118","0.1615","","","","","","0.991","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35","" "7238381","5.5928","0.0011","10.505","0.002","18.392","0.004","104.347","0.004","93.216","0.004","90.447","0.004","1045","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H43 F5 N2 S4 -","- C48 H38 F5 N2 S4 -","- C48 H38 F5 N2 S4 -","1","0.5","","Nishinaga, Tohru; Miyata, Toshihiko; Tateno, Masaki; Koizumi, Masahide; Takase, Masayoshi; Iyoda, Masahiko; Kobayashi, Norihito; Kunugi, Yoshihito","Synthesis and structural, electronic, optical and FET properties of thiophene‒pyrrole mixed hexamers end-capped with phenyl and pentafluorophenyl groups","Journal of Materials Chemistry","2011","21","38","14959","","10.1039/c1jm12966j","","","0.71073","MoKα","","0.0552","0.0461","","","0.1525","0.1632","","","","","","1.328","","","","has coordinates,has disorder","244153","2020-10-21","18:00:00","" "7239600","9.9965","0.0005","16.562","0.001","18.7532","0.0011","90","","90","","90","","3104.8","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","darunavir dihydrate","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl((2S,3R)-4- ((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1- phenylbutan-2-yl)carbamate dihydrate","","- C27 H41 N3 O9 S -","- C27 H41 N3 O9 S -","- C108 H164 N12 O36 S4 -","4","1","","Shen, Jie; Bai, Hongzhen; Zhou, Xinbo; Liu, Jiyong; Hu, Xiurong; Chu, Paul K.; Tang, Guping","Spontaneous single-crystal to single-crystal transition with self-healing cracks involving solvent exchange","CrystEngComm","2019","21","7","1102","","10.1039/C8CE02110D","","","0.71073","MoKα","","0.0748","0.0478","","","0.106","0.1225","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:36","" "7239601","9.9846","0.0005","16.6017","0.001","19.0274","0.001","90","","90","","90","","3154","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","darunavir ethanol solvate","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl((2S,3R)-4-((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate ethanol solvate","","- C29 H43 N3 O8 S -","- C29 H43 N3 O8 S -","- C116 H172 N12 O32 S4 -","4","1","","Shen, Jie; Bai, Hongzhen; Zhou, Xinbo; Liu, Jiyong; Hu, Xiurong; Chu, Paul K.; Tang, Guping","Spontaneous single-crystal to single-crystal transition with self-healing cracks involving solvent exchange","CrystEngComm","2019","21","7","1102","","10.1039/C8CE02110D","","","0.71073","MoKα","","0.1451","0.0923","","","0.1391","0.1592","","","","","","1.103","","","","has coordinates","301866","2025-08-22","21:38:36","" "7239733","25.15","0.003","25.15","0.003","14.827","0.0019","90","","90","","90","","9378","2","296","2","296","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C30 H24 O6 -","- C30 H24 O6 -","- C480 H384 O96 -","16","1","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1387","0.0768","","","0.1994","0.2529","","","","","","1.015","","","","has coordinates","298703","2025-04-03","05:34:22","" "7239734","10.969","0.002","18.363","0.003","19.253","0.004","90","","90","","90","","3878","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H48 O7 -","- C43 H48 O7 -","- C172 H192 O28 -","4","1","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.0957","0.0781","","","0.2232","0.2534","","","","","","1.049","","","","has coordinates,has disorder","301866","2025-08-22","21:38:36","" "7239735","18.4376","0.0007","18.4376","0.0007","11.2852","0.0005","90","","90","","90","","3836.3","0.3","173","2","173","2","","","","","","","","3","P -4","P -4","81","","","","- C44 H48 O8 -","- C44 H48 O8 -","- C176 H192 O32 -","4","1","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","1.34139","GaKα","","0.0757","0.0736","","","0.2311","0.2331","","","","","","1.075","","","","has coordinates,has disorder","287883","2023-11-30","11:40:54","" "7239736","16.135","0.003","11.499","0.004","19.456","0.005","90","","90","","90","","3609.8","1.7","273","2","273","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C42 H48 O6 -","- C42 H48 O6 -","- C168 H192 O24 -","4","0.5","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.0768","0.0516","","","0.1332","0.1506","","","","","","1.022","","","","has coordinates,has disorder","301866","2025-08-22","21:38:37","" "7239737","22.208","0.004","21.426","0.004","19.955","0.004","90","","110.64","0.03","90","","8886","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 N4 O4 -","- C44 H44 N4 O4 -","- C352 H352 N32 O32 -","8","1","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1444","0.0669","","","0.19","0.2278","","","","","","0.941","","","","has coordinates,has disorder","246603","2020-10-21","18:00:00","" "7239738","26.68","0.006","16.08","0.004","17.734","0.004","90","","111.563","0.003","90","","7076","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C77 H74 Cl2 O16 -","- C77 H74 Cl2 O16 -","- C308 H296 Cl8 O64 -","4","0.5","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1469","0.0937","","","0.281","0.3408","","","","","","1.165","","","","has coordinates,has disorder","246603","2020-10-21","18:00:00","" "7239739","17.7822","0.0006","17.782","0.002","43.687","0.0013","90","","90","","90","","13814","1.7","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C44 H32 O8 -","- C44 H32 O8 -","- C704 H512 O128 -","16","2","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1834","0.057","","","0.0714","0.0841","","","","","","1.05","","","","has coordinates,has disorder","301866","2025-08-22","21:38:37","" "8103691","31.39","","31.39","","7.5147","","90","","90","","120","","6412.46","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Si O2","","- O2 Si -","- O2 Si -","- O216 Si108 -","108","4.5","","Dorset, D.L.","The crystal structure of ZSM-10, a powder x-ray and electron diffraction study","Zeitschrift fuer Kristallographie (149,1979-)","2006","21","","260","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "9000011","11.44","","14.12","","3.76","","90","","90","","90","","607.363","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","","Berthierite","- Fe S4 Sb2 -","- Fe S4 Sb2 -","- Fe4 S16 Sb8 -","4","0.5","","Buerger, M. J.","The crystal structure of berthierite","American Mineralogist","1936","21","","205","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59","" "9000012","4.92","","12.46","","5.42","","90","","90","","90","","332.263","","","","","","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","Valentinite","- O3 Sb2 -","- O3 Sb2 -","- O12 Sb8 -","4","0.5","","Buerger, M. J.","The crystal structure of valentinite","American Mineralogist","1936","21","","206","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59","" "9004166","13.391","","13.391","","7.139","","90","","90","","120","","1108.65","","","","","","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","Pyrosmalite-(Mn)","- Cl1.65 Fe3.7 H6.12 Mn4.48 O23.35 Si5.82 -","- Cl1.65 Fe3.7 H8.35 Mn4.48 O23.35 Si5.82 -","- Cl3.3 Fe7.4 H16.7 Mn8.96 O46.7 Si11.64 -","2","0.166667","","Kato T; Takeuchi Y","The pyrosmalite group of minerals I. Structure refinement of Manganpyrosmalite Sample 1: Iron-rich manganpyrosmalite, Kyurazawa mine, Japan","The Canadian Mineralogist","1983","21","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20","" "9004167","13.422","","13.422","","7.165","","90","","90","","120","","1117.84","","","","","","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","Pyrosmalite-(Mn)","- Cl1.47 Fe1.6 H8.5 Mn6 O23.53 Si6 -","- Cl1.47 Fe1.6 H8.53 Mn6 O23.53 Si6 -","- Cl2.94 Fe3.2 H17.06 Mn12 O47.06 Si12 -","2","0.166667","","Kato T; Takeuchi Y","The pyrosmalite group of minerals I. Structure refinement of Manganpyrosmalite Note: sample 2 Note: z-coordinate for AlM4 changed Locality: Kyurazawa mine, Japan","The Canadian Mineralogist","1983","21","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20","" "9004168","8.877","","8.877","","8.877","","90","","90","","90","","699.518","","","","","","","","","","","","Mont St-Hilaire, Quebec, Canada","6","P -4 3 n","P -4n 2 3","218","","","Sodalite","- Al3 Cl Fe0.04 Na3.76 O12 Si3 -","- Al3 Cl Fe0.04 Na3.76 O12 Si3 -","- Al6 Cl2 Fe0.08 Na7.52 O24 Si6 -","2","0.0833333","","Peterson, R. C.","The structure of hackmanite, a variety of sodalite, from Mont St-Hilaire, Quebec","The Canadian Mineralogist","1983","21","","549","552","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41","" "9004169","15.942","","10.821","","7.241","","90","","101.86","","90","","1222.47","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Jarlite","- Al6 F32 Mg Na1.99 O2 Sr6.01 -","- Al6 F32 Mg Na1.99 O2 Sr6.01 -","- Al12 F64 Mg2 Na3.98 O4 Sr12.02 -","2","0.25","","Hawthorne, F. C.","The crystal structure of jarlite","The Canadian Mineralogist","1983","21","","553","560","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41","" "9004170","12.117","","10.414","","15.68","","90","","90.37","","90","","1978.56","","","","","","","","","","","","","6","F 1 2/d 1","","","","","Pachnolite","- Al Ca F6 H2 Na O -","- Al Ca F6 H2 Na O -","- Al16 Ca16 F96 H32 Na16 O16 -","16","","","Hawthorne, F. C.; Ferguson, R. B.","The crystal structure of pachnolite","The Canadian Mineralogist","1983","21","","561","566","","","","","","","","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:00:32","" "9006276","5.702","","11.169","","9.593","","90","","90","","90","","610.936","","","","","","","","","","quenched from 37 kbar and 1600 deg C","quenched from 37 kbar","","3","F d d d :2","-F 2uv 2vw","70","","","","- Cr2 O4 Si -","- Cr2 O4 Si -","- Cr16 O32 Si8 -","8","0.25","","Dollase, W. A.; Seifert, F.; O'Neill H St C","Structure of Cr2SiO4 and possible metal-metal interactions in crystal and melt Sample: P3A, quenched from 37 kbar and 1600 deg C","Physics and Chemistry of Minerals","1994","21","","104","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006277","11.5546","","11.5546","","11.5546","","90","","90","","90","","1542.64","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Almandine","- Al1.7 Fe3.3 O12 Si3 -","- Al1.7 Fe3.3 O12 Si3 -","- Al13.6 Fe26.4 O96 Si24 -","8","0.0833333","","Woodland, A. B.; Ross, C. R.","A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-""Skiagite"") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-""Skiagite"") garnet solid solutions Sample: alm85","Physics and Chemistry of Minerals","1994","21","","117","132","10.1007/BF00203142","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006278","11.7076","","11.7076","","11.7076","","90","","90","","90","","1604.74","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Al0.2 Fe4.8 O12 Si3 -","- Al0.2 Fe4.8 O12 Si3 -","- Al1.6 Fe38.4 O96 Si24 -","8","0.0833333","","Woodland, A. B.; Ross, C. R.","A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-""Skiagite"") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-""Skiagite"") garnet solid solutions Sample: alm10","Physics and Chemistry of Minerals","1994","21","","117","132","10.1007/BF00203142","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006279","11.7663","","11.7663","","11.7663","","90","","90","","90","","1628.99","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Almandine","- Ca0.33 Fe4.67 O12 Si3 -","- Ca0.33 Fe4.67 O12 Si3 -","- Ca2.64 Fe37.36 O96 Si24 -","8","0.0833333","","Woodland, A. B.; Ross, C. R.","A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-""Skiagite"") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-""Skiagite"") garnet solid solutions Sample: and11","Physics and Chemistry of Minerals","1994","21","","117","132","10.1007/BF00203142","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006280","11.8002","","11.8002","","11.8002","","90","","90","","90","","1643.12","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Almandine","- Ca0.63 Fe4.37 O12 Si3 -","- Ca0.63 Fe4.37 O12 Si3 -","- Ca5.04 Fe34.96 O96 Si24 -","8","0.0833333","","Woodland, A. B.; Ross, C. R.","A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-""Skiagite"") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-""Skiagite"") garnet solid solutions Sample: and21","Physics and Chemistry of Minerals","1994","21","","117","132","10.1007/BF00203142","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006281","11.8568","","11.8568","","11.8568","","90","","90","","90","","1666.87","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Almandine","- Ca1.92 Fe3.08 O12 Si3 -","- Ca1.92 Fe3.08 O12 Si3 -","- Ca15.36 Fe24.64 O96 Si24 -","8","0.0833333","","Woodland, A. B.; Ross, C. R.","A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-""Skiagite"") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-""Skiagite"") garnet solid solutions Sample: and36,","Physics and Chemistry of Minerals","1994","21","","117","132","10.1007/BF00203142","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006282","11.915","","11.915","","11.915","","90","","90","","90","","1691.54","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Ca1.56 Fe3.44 O12 Si3 -","- Ca1.56 Fe3.44 O12 Si3 -","- Ca12.48 Fe27.52 O96 Si24 -","8","0.0833333","","Woodland, A. B.; Ross, C. R.","A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-""Skiagite"") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-""Skiagite"") garnet solid solutions Sample: and52","Physics and Chemistry of Minerals","1994","21","","117","132","10.1007/BF00203142","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006283","11.9503","","11.9503","","11.9503","","90","","90","","90","","1706.62","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Ca1.08 Fe3.92 O12 Si3 -","- Ca1.08 Fe3.92 O12 Si3 -","- Ca8.64 Fe31.36 O96 Si24 -","8","0.0833333","","Woodland, A. B.; Ross, C. R.","A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-""Skiagite"") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-""Skiagite"") garnet solid solutions Sample: and64","Physics and Chemistry of Minerals","1994","21","","117","132","10.1007/BF00203142","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006284","8.6557","","8.6557","","4.7702","","90","","90","","90","","357.389","","","","","","","","","","","","","2","I -4","I -4","82","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 1","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006285","4.7481","","4.7481","","7.488","","90","","90","","90","","168.813","","","","","","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.25","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 2","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006286","5.0482","","6.6568","","4.9371","","90","","90","","90","","165.911","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","1","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 3","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006287","4.9329","","4.9329","","6.4645","","90","","90","","90","","157.304","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 4","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006288","4.9329","","4.9329","","6.4645","","90","","90","","90","","157.304","","","","","","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","0.5","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 5","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006289","10.217","","7.9579","","4.9565","","90","","90","","90","","402.993","","","","","","","","","","","","","2","I m a 2","I 2 -2a","46","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 6","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006290","7.4953","","8.6203","","4.7305","","90","","90","","90","","305.646","","","","","","","","","","","","","2","C 2 2 21","C 2c 2","20","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 7","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006291","8.8664","","4.7482","","8.7918","","90","","115.413","","90","","334.315","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 8","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006292","11.1032","","7.8989","","4.9771","","90","","112.265","","90","","403.96","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 9","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006293","4.8452","","6.9852","","7.0237","","113.811","","77.951","","76.701","","199.134","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 10","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006294","6.9979","","8.2122","","6.5106","","90","","114.93","","90","","339.289","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","2","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 11","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006295","6.8513","","7.3761","","6.7085","","90","","101.918","","90","","331.712","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","2","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 12","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006296","6.6211","","7.9963","","5.4115","","90","","100.228","","90","","281.955","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","2","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 13","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006297","5.8657","","5.1519","","5.3377","","92.6936","","90.7338","","90.0688","","161.111","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 14","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006298","5.098","","5.2954","","6.9599","","110.92","","107.558","","83.9309","","167.327","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 15","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006299","6.6395","","8.0488","","5.4184","","90","","99.9967","","90","","285.163","","","","","","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","2","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 16","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006300","5.5569","","5.2463","","5.9716","","88.5667","","114.226","","94.0951","","158.353","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 17","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006301","4.1154","","4.4201","","15.5724","","90","","90","","90","","283.269","","","","","","","","","","","","","2","I 21 21 21","I 2b 2c","24","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 18","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006302","4.7082","","5.5282","","5.0064","","90","","107.835","","90","","124.044","","","","","","","","","","","","","2","P 1 m 1","P -2y","6","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","2","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 19","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006303","5.4515","","5.3227","","5.8091","","77.9812","","82.2353","","54.5766","","134.326","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 20","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006304","4.7209","","4.5622","","6.0394","","90.9053","","93.3589","","105.959","","124.778","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 21","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006305","4.2166","","4.0206","","7.6423","","90","","119.667","","90","","112.579","","","","","","","","","","","","","2","P 1 c 1","P -2yc","7","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","2","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 22","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006306","4.1605","","4.1294","","7.4211","","90","","101.375","","90","","124.993","","","","","","","","","","","","","2","P 1 2 1","P 2y","3","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","2","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 23","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006307","4.6409","","5.2953","","6.7956","","111.506","","93.9553","","90.7337","","154.874","","","","","","","","","","","","","2","P 1","P 1","1","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","4","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 24","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02","" "9006308","8.1007","","8.1007","","8.1007","","90","","90","","90","","531.579","","","","","","","","","","annealed at 725 degrees C for 48 hours, then quenched","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 Fe0.2 O4 Zn0.8 -","- Al2 Fe0.2 O4 Zn0.8 -","- Al16 Fe1.6 O32 Zn6.4 -","8","0.0416667","","Waerenborgh, J. C.; Figueiredo, M. O.; Cabral, J. M. P.; Pereira, L. C. J.","Powder XRD structure refinements and 57Fe Mossbauer effect study of synthetic Zn1-xFexAl2O4 (o